| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.4 | Very low | 62.4 | Low | 242 Ų | 242 | 104.4 Ų | 104.4 | 100% | 1.192 | 59% | 0.586 | S | S | * | * | 0 | 101.8 | 0 | -61.4 | -171.7 | -169.7 | 0 | 0 | 106.1 | |||||
| 2 | N | 33.2 | Very low | 64.2 | Low | 154 Ų | 154 | 101.6 Ų | 101.6 | 82% | 0.824 | 56% | 0.563 | S | S | * | * | trans | -101.2 | 140.7 | 174.6 | -68.2 | 2.7 | 0 | 0 | 0 | 106.5 | D4 | N2-D4 PolarHBondContact O-N 3.48Š| ||
| 3 | G | 32.3 | Very low | 65.7 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 78% | 0.784 | 52% | 0.52 | S | S | * | . | trans | -51.9 | 119.1 | -161.7 | 0 | 0 | 0 | 0 | 0 | 114 | E5 | G3-E5 PolarHBondContact O-N 3Š| ||
| 4 | D | 42.8 | Very low | 66.7 | Low | 143 Ų | 143 | 87.9 Ų | 87.9 | 77% | 0.765 | 49% | 0.488 | S | S | * | . | trans | -66.4 | 105.1 | 172.4 | -75 | -55.9 | 0 | 0 | 0 | 109.2 | N2 A6 | N2-D4 PolarHBondContact O-N 3.48Å; D4-A6 PolarHBondContact O-N 2.81Å | ||
| 5 | E | 54.3 | Low | 67.6 | Low | 111 Ų | 111 | 82.1 Ų | 82.1 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | trans | -59.8 | 130.7 | 166.3 | -56.9 | -170.3 | 121.5 | 0 | 0 | 108.8 | G3 Y7 R40 | G3-E5 PolarHBondContact O-N 3Å; E5-Y7 WeakPolarHBondContact O-CD1 3.42Å; E5-Y7 PolarHBondContact O-N 2.8Å; E5-R40 IonicContact OE1-CZ 3.26Å; E5-R40 IonicContact OE1-NH1 3.01Å; E5-R40 IonicContact OE1-NH2 3.79Å; E5-R40 PolarHBondContact OE1-NH2 3.23Å; E5-R40 IonicContact OE2-CZ 2.71Å; E5-R40 IonicContact OE2-NH2 3.38Å; E5-R40 PolarHBondContact OE2-NH2 3.21Å | ||
| 6 | A | 69.9 | Low | 68.2 | Low | 97 Ų | 97 | 77.7 Ų | 77.7 | 80% | 0.802 | 43% | 0.433 | S | S | * | . | trans | -69.9 | 95 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | D4 | D4-A6 PolarHBondContact O-N 2.81Š| ||
| 7 | Y | 77.8 | Confident | 68.5 | Low | 86 Ų | 86 | 73.6 Ų | 73.6 | 34% | 0.337 | 41% | 0.41 | S | S | . | . | trans | -114 | 153.5 | 171.4 | 61 | -100.5 | 0 | 0 | 0 | 111.4 | E5 T38 G61 R63 | E5-Y7 WeakPolarHBondContact O-CD1 3.42Å; E5-Y7 PolarHBondContact O-N 2.8Å; Y7-T38 HydrophobicContact CD1-CG2 3.97Å; Y7-T38 HydrophobicContact CD2-CG2 4.46Å; Y7-T38 HydrophobicContact CG-CG2 3.84Å; Y7-G61 WeakPolarHBondContact CA-O 3.3Å; Y7-R63 HydrophobicContact CD2-CB 3.95Å; Y7-R63 VanDerWaalsContact CE2-CZ 3.41Å; Y7-R63 VanDerWaalsContact CE2-NH1 3.26Å; Y7-R63 PolarHBondContact OH-NH1 2.61Å; Y7-R63 VanDerWaalsContact OH-NH1 3.16Å | ||
| 8 | V | 87.3 | Confident | 68.4 | Low | 34 Ų | 34 | 73.6 Ų | 73.6 | 21% | 0.206 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.2 | 173.7 | 145.8 | 0 | 0 | 0 | 0 | 110.1 | A10 P56 F59 G61 Y62 R63 | V8-A10 PolarHBondContact O-N 3Å; V8-P56 HydrophobicContact CG1-CG 3.78Å; V8-F59 HydrophobicContact CB-CB 4.48Å; V8-F59 HydrophobicContact CB-CD1 4.17Å; V8-F59 HydrophobicContact CB-CD2 4.24Å; V8-F59 HydrophobicContact CB-CG 4.01Å; V8-F59 HydrophobicContact CG1-CD2 4.26Å; V8-F59 HydrophobicContact CG2-CD1 3.6Å; V8-F59 HydrophobicContact CG2-CD2 4.15Å; V8-F59 HydrophobicContact CG2-CE1 3.57Å; V8-F59 HydrophobicContact CG2-CE2 4.14Å; V8-F59 HydrophobicContact CG2-CG 3.91Å; V8-F59 HydrophobicContact CG2-CZ 3.86Å; V8-G61 PolarHBondContact N-O 3.1Å; V8-Y62 CarbonylContact O-C 3.58Å; V8-Y62 WeakPolarHBondContact O-CA 3.36Å; V8-R63 PolarHBondContact O-N 2.82Å |
| 9 | D | 87.6 | Confident | 68.2 | Low | 72 Ų | 72 | 73.1 Ų | 73.1 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 121.6 | 169.7 | -73.2 | -34.9 | 0 | 0 | 0 | 109.7 | R63 T65 | D9-R63 IonicContact OD1-CZ 2.7Å; D9-R63 IonicContact OD1-NE 2.75Å; D9-R63 PolarHBondContact OD1-NE 3.41Å; D9-R63 IonicContact OD1-NH2 3.92Å; D9-R63 PolarHBondContact OD1-NH2 3.4Å; D9-R63 IonicContact OD2-CZ 3.94Å; D9-R63 IonicContact OD2-NH2 3.75Å; D9-R63 PolarHBondContact OD2-NH2 2.9Å; D9-T65 HydrophobicContact CB-CG2 3.86Å; D9-T65 VanDerWaalsContact CG-CG2 3.48Å; D9-T65 WeakPolarHBondContact OD1-CG2 3.4Å |
| 10 | A | 85.5 | Confident | 67.9 | Low | 3 Ų | 3 | 71.8 Ų | 71.8 | 3% | 0.025 | 40% | 0.403 | C | S | . | . | trans | -76.8 | 134 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V8 L13 V55 Y62 R63 T68 | V8-A10 PolarHBondContact O-N 3Å; A10-L13 HydrophobicContact CB-CB 4.39Å; A10-L13 HydrophobicContact CB-CD1 3.89Å; A10-V55 WeakPolarHBondContact CA-O 3.45Å; A10-Y62 HydrophobicContact CB-CD1 4.21Å; A10-R63 PolarHBondContact N-O 3.25Å; A10-R63 VanDerWaalsContact N-O 3.07Å; A10-T68 HydrophobicContact CB-CG2 3.79Å; A10-T68 WeakPolarHBondContact O-CA 3.43Å; A10-T68 VanDerWaalsContact O-CB 3.3Å; A10-T68 WeakPolarHBondContact O-CB 3.21Å; A10-T68 WeakPolarHBondContact O-CG2 3.41Å; A10-T68 PolarHBondContact O-OG1 3.14Å | ||
| 11 | E | 85.1 | Confident | 67.8 | Low | 130 Ų | 130 | 71.7 Ų | 71.7 | 61% | 0.607 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -79.4 | -45.3 | 165.3 | -69.6 | -168.5 | 145.6 | 0 | 0 | 110.8 | V55 I69 | E11-V55 HydrophobicContact CB-CG1 4.3Å; E11-V55 PolarHBondContact N-O 2.95Å; E11-I69 PolarHBondContact O-N 3.38Å |
| 12 | K | 83.5 | Confident | 69.5 | Low | 71 Ų | 71 | 60.7 Ų | 60.7 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.2 | 177.3 | -57.6 | -174.7 | -179.3 | 179.9 | 0 | 110.6 | W53 A54 V55 I69 | K12-W53 HydrophobicContact CB-CH2 4.37Å; K12-W53 HydrophobicContact CB-CZ3 3.78Å; K12-W53 HydrophobicContact CD-CH2 4.17Å; K12-W53 HydrophobicContact CD-CZ3 4.17Å; K12-A54 CarbonylContact O-C 3.52Å; K12-A54 WeakPolarHBondContact O-CA 3.45Å; K12-V55 HydrophobicContact CB-CB 4.04Å; K12-V55 HydrophobicContact CB-CG2 4.01Å; K12-V55 PolarHBondContact O-N 3.41Å; K12-I69 VanDerWaalsContact CA-O 3.26Å; K12-I69 WeakPolarHBondContact CA-O 3.36Å; K12-I69 HydrophobicContact CG-CB 4.45Å |
| 13 | L | 83.3 | Confident | 71.2 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 122.7 | -173.8 | -156.3 | 158.4 | 0 | 0 | 0 | 108.7 | A10 V15 F39 L51 T68 I69 V70 H71 | A10-L13 HydrophobicContact CB-CB 4.39Å; A10-L13 HydrophobicContact CB-CD1 3.89Å; L13-V15 HydrophobicContact CD2-CG2 3.18Å; L13-F39 HydrophobicContact CD1-CD2 4.42Å; L13-L51 HydrophobicContact CD2-CD1 3.41Å; L13-L51 VanDerWaalsContact CD2-CD1 3.41Å; L13-L51 HydrophobicContact CG-CD1 3.81Å; L13-T68 HydrophobicContact CB-CG2 3.99Å; L13-I69 PolarHBondContact N-O 2.84Å; L13-V70 CarbonylContact O-C 3.59Å; L13-V70 VanDerWaalsContact O-CA 3.3Å; L13-V70 WeakPolarHBondContact O-CA 3.44Å; L13-H71 PolarHBondContact O-N 2.8Å |
| 14 | V | 80.3 | Confident | 73.2 | Confident | 12 Ų | 12 | 55.7 Ų | 55.7 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.4 | 175.7 | 179 | 0 | 0 | 0 | 0 | 110 | Y52 W53 H71 F73 | V14-Y52 PolarHBondContact O-N 3.48Å; V14-W53 HydrophobicContact CB-CB 3.94Å; V14-W53 HydrophobicContact CB-CE3 4.44Å; V14-W53 HydrophobicContact CG2-CB 4.1Å; V14-W53 HydrophobicContact CG2-CD2 4.32Å; V14-W53 HydrophobicContact CG2-CE3 3.51Å; V14-W53 HydrophobicContact CG2-CZ3 4.21Å; V14-W53 PolarHBondContact N-O 3.38Å; V14-W53 PolarHBondContact O-N 3.24Å; V14-H71 WeakPolarHBondContact CA-O 3.39Å; V14-H71 HydrophobicContact CG2-CB 3.82Å; V14-F73 HydrophobicContact CG1-CB 4.27Å |
| 15 | V | 80.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.4 | -179.4 | -169.5 | 0 | 0 | 0 | 0 | 109.5 | L13 L17 W30 E50 V70 H71 V72 F73 | L13-V15 HydrophobicContact CD2-CG2 3.18Å; V15-L17 HydrophobicContact CG1-CD2 3.81Å; V15-L17 HydrophobicContact CG1-CG 4.13Å; V15-W30 HydrophobicContact CB-CH2 4.49Å; V15-W30 HydrophobicContact CG1-CH2 4.47Å; V15-W30 HydrophobicContact CG1-CZ2 4.16Å; V15-W30 HydrophobicContact CG2-CH2 3.99Å; V15-W30 HydrophobicContact CG2-CZ2 4.4Å; V15-E50 WeakPolarHBondContact CA-O 3.26Å; V15-E50 WeakPolarHBondContact CG1-O 3.37Å; V15-V70 HydrophobicContact CG2-CG1 4.17Å; V15-H71 PolarHBondContact N-O 2.92Å; V15-V72 CarbonylContact O-C 3.57Å; V15-V72 VanDerWaalsContact O-CA 3.31Å; V15-V72 WeakPolarHBondContact O-CA 3.49Å; V15-F73 PolarHBondContact O-N 2.82Å |
| 16 | A | 76.2 | Confident | 75.8 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 126.5 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | E50 Y52 | A16-E50 PolarHBondContact N-O 2.73Å; A16-E50 PolarHBondContact O-N 2.88Å; A16-Y52 HydrophobicContact CB-CD2 3.76Å; A16-Y52 HydrophobicContact CB-CE2 3.38Å |
| 17 | L | 73.2 | Confident | 76.4 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | trans | -121.4 | 150.1 | 174.9 | -65.2 | -178 | 0 | 0 | 0 | 110.5 | V15 H21 L27 W30 V72 | V15-L17 HydrophobicContact CG1-CD2 3.81Å; V15-L17 HydrophobicContact CG1-CG 4.13Å; L17-H21 HydrophobicContact CB-CB 3.97Å; L17-H21 HydrophobicContact CD1-CB 4.15Å; L17-L27 HydrophobicContact CD1-CD1 3.76Å; L17-W30 HydrophobicContact CD1-CD2 3.74Å; L17-W30 HydrophobicContact CD1-CE3 4.07Å; L17-W30 HydrophobicContact CD1-CG 3.98Å; L17-W30 HydrophobicContact CD1-CZ2 4.48Å; L17-W30 HydrophobicContact CD2-CD2 4.43Å; L17-W30 HydrophobicContact CD2-CZ2 4.19Å; L17-V72 HydrophobicContact CB-CG1 3.74Å; L17-V72 HydrophobicContact CD1-CG1 3.76Å; L17-V72 HydrophobicContact CD1-CG2 4.04Å; L17-V72 HydrophobicContact CG-CG1 3.73Å | ||
| 18 | P | 67.4 | Low | 76.7 | Confident | 74 Ų | 74 | 38.3 Ų | 38.3 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | trans | -57.7 | 151.1 | 174.1 | -21.9 | 32.1 | 0 | 0 | 0 | 112.2 | S20 H21 | P18-S20 PolarHBondContact O-N 2.78Å; P18-H21 WeakPolarHBondContact O-CB 3.44Å; P18-H21 PolarHBondContact O-N 3.34Å | ||
| 19 | K | 64.5 | Low | 76.5 | Confident | 64 Ų | 64 | 42 Ų | 42 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -44.7 | -41.9 | 178.7 | -78.1 | 179.3 | 167.6 | 166.5 | 0 | 113.6 | H21 L22 E76 | K19-H21 PolarHBondContact O-N 2.82Å; K19-L22 WeakPolarHBondContact O-CB 3.38Å; K19-L22 PolarHBondContact O-N 2.74Å; K19-E76 WeakPolarHBondContact CE-OE2 3.47Å; K19-E76 IonicContact NZ-OE2 2.68Å; K19-E76 PolarHBondContact NZ-OE2 3.29Å |
| 20 | S | 61.2 | Low | 76.4 | Confident | 47 Ų | 47 | 39.6 Ų | 39.6 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -60.1 | -24.5 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 114.7 | P18 A26 E701 | P18-S20 PolarHBondContact O-N 2.78Å; S20-A26 WeakPolarHBondContact O-CB 3.44Å; S20-E701 VanDerWaalsContact CB-OE2 3.3Å; S20-E701 WeakPolarHBondContact CB-OE2 3.44Å |
| 21 | H | 65.7 | Low | 76.5 | Confident | 69 Ų | 69 | 39.6 Ų | 39.6 | 32% | 0.319 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -88.4 | -10.7 | 176.1 | -73.8 | -83.5 | 0 | 0 | 0 | 114.2 | L17 P18 K19 K23 L27 | L17-H21 HydrophobicContact CB-CB 3.97Å; L17-H21 HydrophobicContact CD1-CB 4.15Å; P18-H21 WeakPolarHBondContact O-CB 3.44Å; P18-H21 PolarHBondContact O-N 3.34Å; K19-H21 PolarHBondContact O-N 2.82Å; H21-K23 VanDerWaalsContact C-N 3.27Å; H21-K23 PolarHBondContact O-N 3.32Å; H21-L27 WeakPolarHBondContact O-CA 3.48Å; H21-L27 WeakPolarHBondContact O-CB 3.4Å; H21-L27 PolarHBondContact O-N 3.22Å; H21-L27 VanDerWaalsContact O-N 3.09Å |
| 22 | L | 67.2 | Low | 76.6 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | trans | -76.6 | -12 | -179 | -60.2 | 176.6 | 0 | 0 | 0 | 113.5 | K19 V72 S74 P285 | K19-L22 WeakPolarHBondContact O-CB 3.38Å; K19-L22 PolarHBondContact O-N 2.74Å; L22-V72 HydrophobicContact CD2-CG1 3.58Å; L22-S74 WeakPolarHBondContact CD1-OG 3.31Å; L22-P285 HydrophobicContact CD1-CB 4.3Å; L22-P285 HydrophobicContact CD1-CG 3.78Å | ||
| 23 | K | 70.6 | Confident | 76.6 | Confident | 93 Ų | 93 | 35 Ų | 35 | 40% | 0.404 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -65.9 | 136 | 172.3 | -59.9 | -162.6 | 177.7 | -165.5 | 0 | 109.5 | H21 F25 A26 L27 H606 | H21-K23 VanDerWaalsContact C-N 3.27Å; H21-K23 PolarHBondContact O-N 3.32Å; K23-F25 VanDerWaalsContact C-N 3.29Å; K23-F25 PolarHBondContact O-N 2.74Å; K23-A26 HydrophobicContact CB-CB 4.43Å; K23-A26 PolarHBondContact O-N 3.05Å; K23-L27 PolarHBondContact O-N 2.85Å; K23-H606 PolarHBondContact NZ-NE2 3.11Å |
| 24 | P | 73.6 | Confident | 76.8 | Confident | 33 Ų | 33 | 35.8 Ų | 35.8 | 21% | 0.214 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -51.1 | -42.1 | -168.5 | -31.9 | 35.8 | 0 | 0 | 0 | 115 | I28 N315 | P24-I28 WeakPolarHBondContact O-CB 3.45Å; P24-I28 WeakPolarHBondContact O-CD1 3.35Å; P24-I28 VanDerWaalsContact O-CG1 3.31Å; P24-I28 WeakPolarHBondContact O-CG1 3.18Å; P24-I28 PolarHBondContact O-N 3.49Å; P24-I28 VanDerWaalsContact O-N 3.07Å; P24-N315 VanDerWaalsContact CD-OD1 3.29Å; P24-N315 WeakPolarHBondContact CD-OD1 3.49Å; P24-N315 WeakPolarHBondContact CG-OD1 3.38Å |
| 25 | F | 75.5 | Confident | 77.1 | Confident | 35 Ų | 35 | 35.8 Ų | 35.8 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.1 | -41.1 | 177.2 | 177.1 | -114.2 | 0 | 0 | 0 | 113.7 | K23 L27 I28 R29 L418 D422 L425 | K23-F25 VanDerWaalsContact C-N 3.29Å; K23-F25 PolarHBondContact O-N 2.74Å; F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 2.89Å; F25-I28 PolarHBondContact O-N 3.37Å; F25-R29 VanDerWaalsContact O-CB 3.28Å; F25-R29 WeakPolarHBondContact O-CB 3.45Å; F25-R29 PolarHBondContact O-N 2.89Å; F25-L418 HydrophobicContact CE2-CB 4.35Å; F25-L418 WeakPolarHBondContact CE2-O 3.36Å; F25-L418 HydrophobicContact CZ-CB 4.35Å; F25-D422 WeakPolarHBondContact CB-OD1 3.44Å; F25-D422 HydrophobicContact CD1-CB 4.41Å; F25-D422 HydrophobicContact CD2-CB 3.53Å; F25-D422 WeakPolarHBondContact CD2-OD1 3.49Å; F25-D422 HydrophobicContact CE1-CB 4.47Å; F25-D422 HydrophobicContact CE2-CB 3.62Å; F25-D422 HydrophobicContact CG-CB 3.95Å; F25-D422 VanDerWaalsContact CG-CG 3.46Å; F25-D422 WeakPolarHBondContact CG-OD1 3.32Å; F25-D422 HydrophobicContact CZ-CB 4.1Å; F25-L425 HydrophobicContact CB-CD1 4.23Å; F25-L425 HydrophobicContact CD2-CD1 4.2Å |
| 26 | A | 77 | Confident | 77.4 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -38 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S20 K23 W30 | S20-A26 WeakPolarHBondContact O-CB 3.44Å; K23-A26 HydrophobicContact CB-CB 4.43Å; K23-A26 PolarHBondContact O-N 3.05Å; A26-W30 WeakPolarHBondContact O-CB 3.37Å; A26-W30 PolarHBondContact O-N 3.42Å |
| 27 | L | 80.5 | Confident | 78 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.4 | -163.5 | 57.8 | 0 | 0 | 0 | 111.8 | L17 H21 K23 F25 W30 Y31 V72 V379 I381 | L17-L27 HydrophobicContact CD1-CD1 3.76Å; H21-L27 WeakPolarHBondContact O-CA 3.48Å; H21-L27 WeakPolarHBondContact O-CB 3.4Å; H21-L27 PolarHBondContact O-N 3.22Å; H21-L27 VanDerWaalsContact O-N 3.09Å; K23-L27 PolarHBondContact O-N 2.85Å; F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 2.89Å; L27-W30 WeakPolarHBondContact O-CB 3.39Å; L27-W30 PolarHBondContact O-N 3.26Å; L27-Y31 WeakPolarHBondContact O-CB 3.47Å; L27-Y31 PolarHBondContact O-N 3.21Å; L27-V72 HydrophobicContact CD1-CB 3.91Å; L27-V72 HydrophobicContact CD1-CG1 3.95Å; L27-V72 HydrophobicContact CD1-CG2 3.6Å; L27-V379 HydrophobicContact CD2-CB 4.03Å; L27-V379 HydrophobicContact CD2-CG1 3.52Å; L27-I381 HydrophobicContact CB-CD1 4.16Å; L27-I381 HydrophobicContact CD2-CD1 3.66Å; L27-I381 HydrophobicContact CD2-CG1 4.07Å; L27-I381 HydrophobicContact CG-CD1 3.68Å; L27-I381 HydrophobicContact CG-CG1 4.41Å |
| 28 | I | 84.5 | Confident | 78.5 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.3 | -36.1 | 179.6 | -72.1 | 165 | 0 | 0 | 0 | 111.7 | P24 F25 W30 Y31 L32 I381 L421 L425 V431 | P24-I28 WeakPolarHBondContact O-CB 3.45Å; P24-I28 WeakPolarHBondContact O-CD1 3.35Å; P24-I28 VanDerWaalsContact O-CG1 3.31Å; P24-I28 WeakPolarHBondContact O-CG1 3.18Å; P24-I28 PolarHBondContact O-N 3.49Å; P24-I28 VanDerWaalsContact O-N 3.07Å; F25-I28 PolarHBondContact O-N 3.37Å; I28-W30 VanDerWaalsContact C-N 3.32Å; I28-Y31 PolarHBondContact O-N 2.71Å; I28-L32 HydrophobicContact CG2-CD1 4.04Å; I28-L32 HydrophobicContact CG2-CG 4.29Å; I28-L32 WeakPolarHBondContact O-CB 3.43Å; I28-L32 VanDerWaalsContact O-CG 3.31Å; I28-L32 WeakPolarHBondContact O-CG 3.17Å; I28-L32 PolarHBondContact O-N 3.21Å; I28-I381 HydrophobicContact CD1-CD1 4.01Å; I28-I381 HydrophobicContact CG1-CD1 3.35Å; I28-L421 HydrophobicContact CG2-CD2 3.65Å; I28-L421 HydrophobicContact CG2-CG 4.36Å; I28-L425 HydrophobicContact CB-CD1 4.23Å; I28-L425 HydrophobicContact CD1-CD1 3.42Å; I28-L425 VanDerWaalsContact CD1-CD1 3.42Å; I28-L425 HydrophobicContact CD1-CD2 3.28Å; I28-L425 HydrophobicContact CD1-CG 3.96Å; I28-L425 HydrophobicContact CG1-CD1 4.37Å; I28-L425 HydrophobicContact CG2-CD1 4.43Å; I28-V431 HydrophobicContact CD1-CG2 3.42Å; I28-V431 VanDerWaalsContact CD1-CG2 3.42Å; I28-V431 HydrophobicContact CG1-CG2 4.09Å |
| 29 | R | 82.9 | Confident | 79.2 | Confident | 112 Ų | 112 | 44.5 Ų | 44.5 | 42% | 0.423 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 171.8 | -168.8 | 174.1 | -173.3 | 175.7 | 1 | 110.9 | F25 N33 | F25-R29 VanDerWaalsContact O-CB 3.28Å; F25-R29 WeakPolarHBondContact O-CB 3.45Å; F25-R29 PolarHBondContact O-N 2.89Å; R29-N33 WeakPolarHBondContact O-CB 3.32Å; R29-N33 PolarHBondContact O-N 2.91Å; R29-N33 PolarHBondContact O-ND2 3.09Å; R29-N33 PolarHBondContact O-OD1 3.11Å |
| 30 | W | 85.3 | Confident | 79.8 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 171.6 | 176.6 | 96.4 | 0 | 0 | 0 | 111.9 | V15 L17 A26 L27 I28 N33 N34 F39 L64 V70 | V15-W30 HydrophobicContact CB-CH2 4.49Å; V15-W30 HydrophobicContact CG1-CH2 4.47Å; V15-W30 HydrophobicContact CG1-CZ2 4.16Å; V15-W30 HydrophobicContact CG2-CH2 3.99Å; V15-W30 HydrophobicContact CG2-CZ2 4.4Å; L17-W30 HydrophobicContact CD1-CD2 3.74Å; L17-W30 HydrophobicContact CD1-CE3 4.07Å; L17-W30 HydrophobicContact CD1-CG 3.98Å; L17-W30 HydrophobicContact CD1-CZ2 4.48Å; L17-W30 HydrophobicContact CD2-CD2 4.43Å; L17-W30 HydrophobicContact CD2-CZ2 4.19Å; A26-W30 WeakPolarHBondContact O-CB 3.37Å; A26-W30 PolarHBondContact O-N 3.42Å; L27-W30 WeakPolarHBondContact O-CB 3.39Å; L27-W30 PolarHBondContact O-N 3.26Å; I28-W30 VanDerWaalsContact C-N 3.32Å; W30-N33 PolarHBondContact O-N 2.97Å; W30-N34 PolarHBondContact NE1-ND2 2.67Å; W30-N34 WeakPolarHBondContact O-CB 3.31Å; W30-N34 PolarHBondContact O-N 3Å; W30-N34 VanDerWaalsContact O-N 3.14Å; W30-N34 PolarHBondContact O-ND2 3.21Å; W30-F39 HydrophobicContact CH2-CE1 4.28Å; W30-F39 AromaticContact CH2-CZ 3.87Å; W30-F39 HydrophobicContact CH2-CZ 3.87Å; W30-F39 AromaticContact CZ2-CE1 3.79Å; W30-F39 HydrophobicContact CZ2-CE1 3.79Å; W30-F39 AromaticContact CZ2-CZ 3.67Å; W30-F39 HydrophobicContact CZ2-CZ 3.67Å; W30-L64 HydrophobicContact CH2-CD1 4.37Å; W30-L64 HydrophobicContact CZ3-CD1 4.42Å; W30-V70 HydrophobicContact CH2-CG1 4.29Å; W30-V70 HydrophobicContact CZ3-CG1 4.03Å |
| 31 | Y | 88 | Confident | 80.2 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -49.8 | 178 | 177.3 | -93.2 | 0 | 0 | 0 | 111.9 | L27 I28 N33 N34 L35 L64 V70 I381 V434 | L27-Y31 WeakPolarHBondContact O-CB 3.47Å; L27-Y31 PolarHBondContact O-N 3.21Å; I28-Y31 PolarHBondContact O-N 2.71Å; Y31-N33 VanDerWaalsContact C-N 3.35Å; Y31-N33 PolarHBondContact O-N 3.22Å; Y31-N34 CarbonylContact O-C 3.54Å; Y31-N34 PolarHBondContact O-N 2.92Å; Y31-N34 VanDerWaalsContact O-N 3.15Å; Y31-L35 HydrophobicContact CD1-CD1 3.97Å; Y31-L35 HydrophobicContact CE1-CD1 3.57Å; Y31-L35 HydrophobicContact CE1-CG 4.36Å; Y31-L35 PolarHBondContact O-N 3.35Å; Y31-L64 HydrophobicContact CD2-CD1 4.48Å; Y31-L64 HydrophobicContact CD2-CD2 4.2Å; Y31-L64 HydrophobicContact CE2-CD2 3.86Å; Y31-V70 HydrophobicContact CD2-CG2 4Å; Y31-V70 HydrophobicContact CE2-CG2 3.96Å; Y31-I381 HydrophobicContact CD1-CG2 4.29Å; Y31-I381 HydrophobicContact CD2-CG2 3.99Å; Y31-I381 HydrophobicContact CE2-CG2 4.26Å; Y31-I381 HydrophobicContact CG-CG2 4Å; Y31-V434 HydrophobicContact CE1-CG2 3.98Å |
| 32 | L | 86.8 | Confident | 80 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | 177.6 | -67.9 | 174.6 | 0 | 0 | 0 | 112.4 | I28 N34 L35 L418 L421 I441 I443 | I28-L32 HydrophobicContact CG2-CD1 4.04Å; I28-L32 HydrophobicContact CG2-CG 4.29Å; I28-L32 WeakPolarHBondContact O-CB 3.43Å; I28-L32 VanDerWaalsContact O-CG 3.31Å; I28-L32 WeakPolarHBondContact O-CG 3.17Å; I28-L32 PolarHBondContact O-N 3.21Å; L32-N34 PolarHBondContact O-N 3.22Å; L32-L35 HydrophobicContact CD2-CD1 3.97Å; L32-L418 HydrophobicContact CD1-CD2 4.09Å; L32-L421 HydrophobicContact CD1-CD2 3.77Å; L32-I441 HydrophobicContact CD2-CD1 3.73Å; L32-I443 HydrophobicContact CD1-CD1 3.92Å; L32-I443 HydrophobicContact CD2-CD1 4.03Å |
| 33 | N | 85.2 | Confident | 79.1 | Confident | 94 Ų | 94 | 55.1 Ų | 55.1 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70 | -15.8 | 177 | -74.7 | -6.6 | 0 | 0 | 0 | 113.6 | R29 W30 Y31 K37 | R29-N33 WeakPolarHBondContact O-CB 3.32Å; R29-N33 PolarHBondContact O-N 2.91Å; R29-N33 PolarHBondContact O-ND2 3.09Å; R29-N33 PolarHBondContact O-OD1 3.11Å; W30-N33 PolarHBondContact O-N 2.97Å; Y31-N33 VanDerWaalsContact C-N 3.35Å; Y31-N33 PolarHBondContact O-N 3.22Å; N33-K37 WeakPolarHBondContact O-CE 3.39Å; N33-K37 PolarHBondContact O-NZ 3.39Å |
| 34 | N | 86.9 | Confident | 77.6 | Confident | 18 Ų | 18 | 55 Ų | 55 | 10% | 0.096 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -117.1 | 6.7 | -179.1 | -65 | -59.8 | 0 | 0 | 0 | 114 | W30 Y31 L32 L36 K37 F39 | W30-N34 PolarHBondContact NE1-ND2 2.67Å; W30-N34 WeakPolarHBondContact O-CB 3.31Å; W30-N34 PolarHBondContact O-N 3Å; W30-N34 VanDerWaalsContact O-N 3.14Å; W30-N34 PolarHBondContact O-ND2 3.21Å; Y31-N34 CarbonylContact O-C 3.54Å; Y31-N34 PolarHBondContact O-N 2.92Å; Y31-N34 VanDerWaalsContact O-N 3.15Å; L32-N34 PolarHBondContact O-N 3.22Å; N34-L36 PolarHBondContact O-N 3.35Å; N34-K37 HydrophobicContact CB-CD 4.46Å; N34-K37 WeakPolarHBondContact O-CB 3.4Å; N34-K37 PolarHBondContact O-N 2.91Å; N34-K37 VanDerWaalsContact O-N 3.1Å; N34-K37 WeakPolarHBondContact OD1-CD 3.48Å; N34-K37 PolarHBondContact OD1-NZ 3.22Å; N34-F39 HydrophobicContact CB-CE2 4.1Å; N34-F39 HydrophobicContact CB-CZ 3.72Å |
| 35 | L | 86.8 | Confident | 75.9 | Confident | 11 Ų | 11 | 61 Ų | 61 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 132.6 | 171.2 | -120.6 | 146.1 | 0 | 0 | 0 | 110.8 | Y31 L32 K37 L64 P66 V434 W463 | Y31-L35 HydrophobicContact CD1-CD1 3.97Å; Y31-L35 HydrophobicContact CE1-CD1 3.57Å; Y31-L35 HydrophobicContact CE1-CG 4.36Å; Y31-L35 PolarHBondContact O-N 3.35Å; L32-L35 HydrophobicContact CD2-CD1 3.97Å; L35-K37 PolarHBondContact O-N 2.95Å; L35-L64 HydrophobicContact CB-CD2 4.5Å; L35-L64 HydrophobicContact CG-CD2 4.04Å; L35-P66 HydrophobicContact CD2-CB 4.36Å; L35-P66 HydrophobicContact CD2-CG 3.77Å; L35-V434 HydrophobicContact CD1-CG1 4.28Å; L35-W463 HydrophobicContact CB-CH2 3.99Å; L35-W463 HydrophobicContact CB-CZ2 4.49Å |
| 36 | L | 87.1 | Confident | 74.2 | Confident | 83 Ų | 83 | 62.2 Ų | 62.2 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 4.1 | -173.6 | -50.8 | 179.2 | 0 | 0 | 0 | 116.2 | N34 L64 L436 | N34-L36 PolarHBondContact O-N 3.35Å; L36-L64 VanDerWaalsContact CA-O 3.25Å; L36-L64 WeakPolarHBondContact CA-O 3.47Å; L36-L64 PolarHBondContact N-O 2.93Å; L36-L436 HydrophobicContact CD1-CD2 3.7Å; L36-L436 HydrophobicContact CD2-CD2 4.43Å; L36-L436 HydrophobicContact CG-CD2 4.2Å |
| 37 | K | 87.7 | Confident | 72.8 | Confident | 109 Ų | 109 | 67.9 Ų | 67.9 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 153.7 | 172.6 | -63.8 | -171 | -174.1 | 157.3 | 0 | 111.8 | N33 N34 L35 R63 L64 | N33-K37 WeakPolarHBondContact O-CE 3.39Å; N33-K37 PolarHBondContact O-NZ 3.39Å; N34-K37 HydrophobicContact CB-CD 4.46Å; N34-K37 WeakPolarHBondContact O-CB 3.4Å; N34-K37 PolarHBondContact O-N 2.91Å; N34-K37 VanDerWaalsContact O-N 3.1Å; N34-K37 WeakPolarHBondContact OD1-CD 3.48Å; N34-K37 PolarHBondContact OD1-NZ 3.22Å; L35-K37 PolarHBondContact O-N 2.95Å; K37-R63 WeakPolarHBondContact O-CA 3.28Å; K37-L64 PolarHBondContact O-N 3.41Å |
| 38 | T | 85 | Confident | 71.3 | Confident | 63 Ų | 63 | 73.3 Ų | 73.3 | 39% | 0.387 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123 | 174.7 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | Y7 Y62 R63 | Y7-T38 HydrophobicContact CD1-CG2 3.97Å; Y7-T38 HydrophobicContact CD2-CG2 4.46Å; Y7-T38 HydrophobicContact CG-CG2 3.84Å; T38-Y62 CarbonylContact C-O 3.21Å; T38-Y62 WeakPolarHBondContact CA-O 3.17Å; T38-R63 HydrophobicContact CG2-CB 4.09Å; T38-R63 HydrophobicContact CG2-CG 4.35Å |
| 39 | F | 80.7 | Confident | 69.9 | Low | 22 Ų | 22 | 73.4 Ų | 73.4 | 10% | 0.096 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 144.9 | 170.3 | -68.4 | -95.6 | 0 | 0 | 0 | 110 | L13 W30 N34 G61 Y62 L64 | L13-F39 HydrophobicContact CD1-CD2 4.42Å; W30-F39 HydrophobicContact CH2-CE1 4.28Å; W30-F39 AromaticContact CH2-CZ 3.87Å; W30-F39 HydrophobicContact CH2-CZ 3.87Å; W30-F39 AromaticContact CZ2-CE1 3.79Å; W30-F39 HydrophobicContact CZ2-CE1 3.79Å; W30-F39 AromaticContact CZ2-CZ 3.67Å; W30-F39 HydrophobicContact CZ2-CZ 3.67Å; N34-F39 HydrophobicContact CB-CE2 4.1Å; N34-F39 HydrophobicContact CB-CZ 3.72Å; F39-G61 CarbonylContact O-C 3.56Å; F39-G61 WeakPolarHBondContact O-CA 3.45Å; F39-Y62 PolarHBondContact N-O 2.98Å; F39-Y62 PolarHBondContact O-N 2.57Å; F39-L64 HydrophobicContact CD2-CB 4.3Å; F39-L64 HydrophobicContact CE2-CB 3.95Å; F39-L64 HydrophobicContact CE2-CD1 3.8Å; F39-L64 HydrophobicContact CZ-CD1 4.36Å |
| 40 | R | 77.5 | Confident | 69.2 | Low | 136 Ų | 136 | 72.1 Ų | 72.1 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 159.2 | 171.5 | -64.4 | -172.1 | -179 | 168.3 | 3.4 | 109.2 | E5 A42 D60 | E5-R40 IonicContact OE1-CZ 3.26Å; E5-R40 IonicContact OE1-NH1 3.01Å; E5-R40 IonicContact OE1-NH2 3.79Å; E5-R40 PolarHBondContact OE1-NH2 3.23Å; E5-R40 IonicContact OE2-CZ 2.71Å; E5-R40 IonicContact OE2-NH2 3.38Å; E5-R40 PolarHBondContact OE2-NH2 3.21Å; R40-A42 PolarHBondContact O-N 3.14Å; R40-D60 WeakPolarHBondContact CG-O 3.32Å |
| 41 | W | 70.1 | Confident | 68.6 | Low | 40 Ų | 40 | 71.7 Ų | 71.7 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | trans | -59 | 124.6 | 171.8 | -55.7 | 96.5 | 0 | 0 | 0 | 110.1 | K43 L51 F59 Y62 K124 | W41-K43 PolarHBondContact O-N 2.89Å; W41-L51 HydrophobicContact CD2-CD2 3.86Å; W41-L51 HydrophobicContact CD2-CG 4.45Å; W41-L51 HydrophobicContact CE3-CB 4.49Å; W41-L51 HydrophobicContact CE3-CD2 3.98Å; W41-L51 HydrophobicContact CE3-CG 4.05Å; W41-L51 HydrophobicContact CG-CD2 4.33Å; W41-L51 HydrophobicContact CH2-CD2 4.41Å; W41-L51 HydrophobicContact CH2-CG 4.44Å; W41-L51 HydrophobicContact CZ2-CD2 4.3Å; W41-L51 HydrophobicContact CZ3-CD2 4.26Å; W41-L51 HydrophobicContact CZ3-CG 4.05Å; W41-F59 PolarHBondContact NE1-O 3.3Å; W41-Y62 AromaticContact CE2-CE2 3.94Å; W41-Y62 AromaticContact CZ2-CE2 3.77Å; W41-Y62 HydrophobicContact CZ2-CE2 3.77Å; W41-Y62 AromaticContact NE1-CE2 3.73Å; W41-K124 HydrophobicContact CD2-CD 4.36Å; W41-K124 HydrophobicContact CH2-CB 4.42Å; W41-K124 HydrophobicContact CZ2-CB 4.33Å; W41-K124 HydrophobicContact CZ2-CD 4.08Å | ||
| 42 | A | 60.2 | Low | 67.8 | Low | 34 Ų | 34 | 75.5 Ų | 75.5 | 28% | 0.281 | 39% | 0.392 | S | S | . | . | trans | -74.7 | 120.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111 | R40 S44 | R40-A42 PolarHBondContact O-N 3.14Å; A42-S44 VanDerWaalsContact C-N 3.32Å; A42-S44 PolarHBondContact O-N 3.48Å | ||
| 43 | K | 48.5 | Very low | 67.2 | Low | 204 Ų | 204 | 77.4 Ų | 77.4 | 89% | 0.887 | 40% | 0.399 | S | S | * | . | trans | -81.9 | 83.5 | 159.3 | -69.7 | -177.6 | 178.8 | -179.5 | 0 | 107.9 | W41 | W41-K43 PolarHBondContact O-N 2.89Š| ||
| 44 | S | 40.2 | Very low | 66.8 | Low | 90 Ų | 90 | 73 Ų | 73 | 63% | 0.629 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 35.6 | 116.2 | 169.4 | 59.9 | 0 | 0 | 0 | 0 | 117.5 | A42 | A42-S44 VanDerWaalsContact C-N 3.32Å; A42-S44 PolarHBondContact O-N 3.48Å |
| 45 | N | 37.7 | Very low | 66.4 | Low | 160 Ų | 160 | 73.4 Ų | 73.4 | 86% | 0.856 | 38% | 0.378 | S | S | * | . | trans | 91.4 | 38.8 | 172.6 | -51.2 | -15.1 | 0 | 0 | 0 | 117.9 | ||||
| 46 | S | 40.8 | Very low | 66 | Low | 61 Ų | 61 | 75 Ų | 75 | 43% | 0.427 | 39% | 0.39 | S | S | . | . | trans | -102.4 | 120 | 162 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | N48 | S46-N48 PolarHBondContact O-N 3.37Š| ||
| 47 | T | 45.9 | Very low | 65.5 | Low | 145 Ų | 145 | 74.8 Ų | 74.8 | 89% | 0.89 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -63.9 | -7 | -179.7 | 44.8 | 0 | 0 | 0 | 0 | 115.3 | G49 | T47-G49 PolarHBondContact O-N 3.45Š|
| 48 | N | 49.5 | Very low | 64.7 | Low | 116 Ų | 116 | 72.1 Ų | 72.1 | 62% | 0.62 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -97 | 79 | 177.6 | -72.8 | -31.8 | 0 | 0 | 0 | 111.3 | S46 | S46-N48 PolarHBondContact O-N 3.37Š|
| 49 | G | 56.3 | Low | 64.4 | Low | 10 Ų | 10 | 73.3 Ų | 73.3 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | trans | 50.2 | 104.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | T47 L51 | T47-G49 PolarHBondContact O-N 3.45Å; G49-L51 PolarHBondContact O-N 3.18Å | ||
| 50 | E | 67.2 | Low | 64.2 | Low | 84 Ų | 84 | 77.6 Ų | 77.6 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 128.2 | 178.9 | -69.8 | -173.7 | 157.2 | 0 | 0 | 111.9 | V15 A16 Y52 | V15-E50 WeakPolarHBondContact CA-O 3.26Å; V15-E50 WeakPolarHBondContact CG1-O 3.37Å; A16-E50 PolarHBondContact N-O 2.73Å; A16-E50 PolarHBondContact O-N 2.88Å; E50-Y52 HydrophobicContact CB-CD2 4.17Å; E50-Y52 HydrophobicContact CB-CE2 3.68Å; E50-Y52 WeakPolarHBondContact O-CD2 3.34Å; E50-Y52 PolarHBondContact O-N 3.09Å; E50-Y52 PolarHBondContact OE2-OH 3Å |
| 51 | L | 72.1 | Confident | 64.4 | Low | 13 Ų | 13 | 71.2 Ų | 71.2 | 7% | 0.068 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 111 | 176.1 | 179.9 | 68.8 | 0 | 0 | 0 | 110 | L13 W41 G49 A54 Y62 | L13-L51 HydrophobicContact CD2-CD1 3.41Å; L13-L51 VanDerWaalsContact CD2-CD1 3.41Å; L13-L51 HydrophobicContact CG-CD1 3.81Å; W41-L51 HydrophobicContact CD2-CD2 3.86Å; W41-L51 HydrophobicContact CD2-CG 4.45Å; W41-L51 HydrophobicContact CE3-CB 4.49Å; W41-L51 HydrophobicContact CE3-CD2 3.98Å; W41-L51 HydrophobicContact CE3-CG 4.05Å; W41-L51 HydrophobicContact CG-CD2 4.33Å; W41-L51 HydrophobicContact CH2-CD2 4.41Å; W41-L51 HydrophobicContact CH2-CG 4.44Å; W41-L51 HydrophobicContact CZ2-CD2 4.3Å; W41-L51 HydrophobicContact CZ3-CD2 4.26Å; W41-L51 HydrophobicContact CZ3-CG 4.05Å; G49-L51 PolarHBondContact O-N 3.18Å; L51-A54 HydrophobicContact CD1-CB 4.46Å; L51-Y62 HydrophobicContact CD2-CD2 3.97Å |
| 52 | Y | 71.8 | Confident | 65.3 | Low | 82 Ų | 82 | 69.3 Ų | 69.3 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -35.6 | 179.7 | -84.7 | -107.7 | 0 | 0 | 0 | 112.7 | V14 A16 E50 | V14-Y52 PolarHBondContact O-N 3.48Å; A16-Y52 HydrophobicContact CB-CD2 3.76Å; A16-Y52 HydrophobicContact CB-CE2 3.38Å; E50-Y52 HydrophobicContact CB-CD2 4.17Å; E50-Y52 HydrophobicContact CB-CE2 3.68Å; E50-Y52 WeakPolarHBondContact O-CD2 3.34Å; E50-Y52 PolarHBondContact O-N 3.09Å; E50-Y52 PolarHBondContact OE2-OH 3Å |
| 53 | W | 74.8 | Confident | 66.6 | Low | 51 Ų | 51 | 70.9 Ų | 70.9 | 19% | 0.193 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 153.5 | -177.2 | -179.1 | 74.3 | 0 | 0 | 0 | 111.9 | K12 V14 V55 F123 Y368 | K12-W53 HydrophobicContact CB-CH2 4.37Å; K12-W53 HydrophobicContact CB-CZ3 3.78Å; K12-W53 HydrophobicContact CD-CH2 4.17Å; K12-W53 HydrophobicContact CD-CZ3 4.17Å; V14-W53 HydrophobicContact CB-CB 3.94Å; V14-W53 HydrophobicContact CB-CE3 4.44Å; V14-W53 HydrophobicContact CG2-CB 4.1Å; V14-W53 HydrophobicContact CG2-CD2 4.32Å; V14-W53 HydrophobicContact CG2-CE3 3.51Å; V14-W53 HydrophobicContact CG2-CZ3 4.21Å; V14-W53 PolarHBondContact N-O 3.38Å; V14-W53 PolarHBondContact O-N 3.24Å; W53-V55 HydrophobicContact CD2-CG2 4.25Å; W53-V55 HydrophobicContact CE3-CG2 4.16Å; W53-V55 HydrophobicContact CH2-CG2 3.24Å; W53-V55 HydrophobicContact CZ2-CG2 3.24Å; W53-V55 HydrophobicContact CZ3-CG2 3.71Å; W53-F123 AromaticContact CD1-CD2 3.43Å; W53-F123 VanDerWaalsContact CD1-CD2 3.43Å; W53-F123 AromaticContact CD1-CE2 3.85Å; W53-F123 AromaticContact NE1-CD2 3.39Å; W53-F123 AromaticContact NE1-CE2 3.4Å; W53-Y368 AromaticContact CZ2-CD1 3.86Å; W53-Y368 HydrophobicContact CZ2-CD1 3.86Å; W53-Y368 AromaticContact CZ2-CE1 3.87Å; W53-Y368 HydrophobicContact CZ2-CE1 3.87Å |
| 54 | A | 77.1 | Confident | 68.6 | Low | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.008 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 150.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K12 L51 Y62 | K12-A54 CarbonylContact O-C 3.52Å; K12-A54 WeakPolarHBondContact O-CA 3.45Å; L51-A54 HydrophobicContact CD1-CB 4.46Å; A54-Y62 HydrophobicContact CB-CD1 3.67Å; A54-Y62 HydrophobicContact CB-CD2 3.72Å; A54-Y62 HydrophobicContact CB-CE1 3.52Å; A54-Y62 HydrophobicContact CB-CE2 3.59Å; A54-Y62 HydrophobicContact CB-CG 3.75Å; A54-Y62 VanDerWaalsContact CB-CZ 3.47Å |
| 55 | V | 77.2 | Confident | 71 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 16% | 0.158 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.3 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | A10 E11 K12 W53 | A10-V55 WeakPolarHBondContact CA-O 3.45Å; E11-V55 HydrophobicContact CB-CG1 4.3Å; E11-V55 PolarHBondContact N-O 2.95Å; K12-V55 HydrophobicContact CB-CB 4.04Å; K12-V55 HydrophobicContact CB-CG2 4.01Å; K12-V55 PolarHBondContact O-N 3.41Å; W53-V55 HydrophobicContact CD2-CG2 4.25Å; W53-V55 HydrophobicContact CE3-CG2 4.16Å; W53-V55 HydrophobicContact CH2-CG2 3.24Å; W53-V55 HydrophobicContact CZ2-CG2 3.24Å; W53-V55 HydrophobicContact CZ3-CG2 3.71Å |
| 56 | P | 79 | Confident | 73.3 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 29% | 0.292 | 29% | 0.29 | S | S | . | . | S | Bend | cis | -71.9 | 147 | -0.5 | 29.3 | -35.7 | 0 | 0 | 0 | 113.4 | V8 F59 Y62 | V8-P56 HydrophobicContact CG1-CG 3.78Å; P56-F59 HydrophobicContact CB-CE2 4.22Å; P56-F59 HydrophobicContact CG-CD2 4.13Å; P56-F59 HydrophobicContact CG-CE2 3.77Å; P56-Y62 WeakPolarHBondContact O-CE1 3.31Å; P56-Y62 PolarHBondContact O-OH 2.84Å |
| 57 | P | 75.6 | Confident | 75.5 | Confident | 78 Ų | 78 | 53 Ų | 53 | 51% | 0.506 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 155.2 | -179.7 | 29.7 | -35.5 | 0 | 0 | 0 | 112.2 | ||
| 58 | G | 72.6 | Confident | 77.5 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.6 | -21.2 | 169 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y62 K124 | G58-Y62 PolarHBondContact N-OH 2.71Å; G58-K124 WeakPolarHBondContact O-CE 3.39Å; G58-K124 PolarHBondContact O-NZ 2.95Å |
| 59 | F | 78.2 | Confident | 79.2 | Confident | 88 Ų | 88 | 42 Ų | 42 | 39% | 0.386 | 24% | 0.237 | S | C | . | . | trans | -81 | 159.7 | -176.8 | -60 | -87.8 | 0 | 0 | 0 | 112.9 | V8 W41 P56 Y62 K124 | V8-F59 HydrophobicContact CB-CB 4.48Å; V8-F59 HydrophobicContact CB-CD1 4.17Å; V8-F59 HydrophobicContact CB-CD2 4.24Å; V8-F59 HydrophobicContact CB-CG 4.01Å; V8-F59 HydrophobicContact CG1-CD2 4.26Å; V8-F59 HydrophobicContact CG2-CD1 3.6Å; V8-F59 HydrophobicContact CG2-CD2 4.15Å; V8-F59 HydrophobicContact CG2-CE1 3.57Å; V8-F59 HydrophobicContact CG2-CE2 4.14Å; V8-F59 HydrophobicContact CG2-CG 3.91Å; V8-F59 HydrophobicContact CG2-CZ 3.86Å; W41-F59 PolarHBondContact NE1-O 3.3Å; P56-F59 HydrophobicContact CB-CE2 4.22Å; P56-F59 HydrophobicContact CG-CD2 4.13Å; P56-F59 HydrophobicContact CG-CE2 3.77Å; F59-Y62 HydrophobicContact CB-CE1 4.05Å; F59-Y62 HydrophobicContact CB-CE2 4.25Å; F59-Y62 HydrophobicContact CD2-CE1 4.41Å; F59-Y62 PolarHBondContact N-OH 2.76Å; F59-Y62 WeakPolarHBondContact O-CE2 3.45Å; F59-K124 VanDerWaalsContact C-NZ 3.28Å; F59-K124 PolarHBondContact O-NZ 3.46Å | ||
| 60 | D | 75.8 | Confident | 80.6 | Confident | 111 Ų | 111 | 41.7 Ų | 41.7 | 59% | 0.594 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -96.5 | -22.8 | 179.9 | -73.8 | -27.2 | 0 | 0 | 0 | 113.5 | R40 K124 | R40-D60 WeakPolarHBondContact CG-O 3.32Å; D60-K124 IonicContact OD1-NZ 2.89Å; D60-K124 PolarHBondContact OD1-NZ 3.07Å |
| 61 | G | 82.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y7 V8 F39 | Y7-G61 WeakPolarHBondContact CA-O 3.3Å; V8-G61 PolarHBondContact N-O 3.1Å; F39-G61 CarbonylContact O-C 3.56Å; F39-G61 WeakPolarHBondContact O-CA 3.45Å |
| 62 | Y | 86.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 120 | -177.9 | -70.1 | -80.2 | 0 | 0 | 0 | 110.6 | V8 A10 T38 F39 W41 L51 A54 P56 G58 F59 | V8-Y62 CarbonylContact O-C 3.58Å; V8-Y62 WeakPolarHBondContact O-CA 3.36Å; A10-Y62 HydrophobicContact CB-CD1 4.21Å; T38-Y62 CarbonylContact C-O 3.21Å; T38-Y62 WeakPolarHBondContact CA-O 3.17Å; F39-Y62 PolarHBondContact N-O 2.98Å; F39-Y62 PolarHBondContact O-N 2.57Å; W41-Y62 AromaticContact CE2-CE2 3.94Å; W41-Y62 AromaticContact CZ2-CE2 3.77Å; W41-Y62 HydrophobicContact CZ2-CE2 3.77Å; W41-Y62 AromaticContact NE1-CE2 3.73Å; L51-Y62 HydrophobicContact CD2-CD2 3.97Å; A54-Y62 HydrophobicContact CB-CD1 3.67Å; A54-Y62 HydrophobicContact CB-CD2 3.72Å; A54-Y62 HydrophobicContact CB-CE1 3.52Å; A54-Y62 HydrophobicContact CB-CE2 3.59Å; A54-Y62 HydrophobicContact CB-CG 3.75Å; A54-Y62 VanDerWaalsContact CB-CZ 3.47Å; P56-Y62 WeakPolarHBondContact O-CE1 3.31Å; P56-Y62 PolarHBondContact O-OH 2.84Å; G58-Y62 PolarHBondContact N-OH 2.71Å; F59-Y62 HydrophobicContact CB-CE1 4.05Å; F59-Y62 HydrophobicContact CB-CE2 4.25Å; F59-Y62 HydrophobicContact CD2-CE1 4.41Å; F59-Y62 PolarHBondContact N-OH 2.76Å; F59-Y62 WeakPolarHBondContact O-CE2 3.45Å |
| 63 | R | 89.1 | Confident | 81.9 | Confident | 67 Ų | 67 | 35 Ų | 35 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.3 | 175.6 | -170.9 | 170.4 | 64.5 | -172.4 | -3 | 110.1 | Y7 V8 D9 A10 K37 T38 | Y7-R63 HydrophobicContact CD2-CB 3.95Å; Y7-R63 VanDerWaalsContact CE2-CZ 3.41Å; Y7-R63 VanDerWaalsContact CE2-NH1 3.26Å; Y7-R63 PolarHBondContact OH-NH1 2.61Å; Y7-R63 VanDerWaalsContact OH-NH1 3.16Å; V8-R63 PolarHBondContact O-N 2.82Å; D9-R63 IonicContact OD1-CZ 2.7Å; D9-R63 IonicContact OD1-NE 2.75Å; D9-R63 PolarHBondContact OD1-NE 3.41Å; D9-R63 IonicContact OD1-NH2 3.92Å; D9-R63 PolarHBondContact OD1-NH2 3.4Å; D9-R63 IonicContact OD2-CZ 3.94Å; D9-R63 IonicContact OD2-NH2 3.75Å; D9-R63 PolarHBondContact OD2-NH2 2.9Å; A10-R63 PolarHBondContact N-O 3.25Å; A10-R63 VanDerWaalsContact N-O 3.07Å; K37-R63 WeakPolarHBondContact O-CA 3.28Å; T38-R63 HydrophobicContact CG2-CB 4.09Å; T38-R63 HydrophobicContact CG2-CG 4.35Å |
| 64 | L | 89.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -82.9 | 116.6 | 176.3 | -171.2 | 154.3 | 0 | 0 | 0 | 109.2 | W30 Y31 L35 L36 K37 F39 V70 | W30-L64 HydrophobicContact CH2-CD1 4.37Å; W30-L64 HydrophobicContact CZ3-CD1 4.42Å; Y31-L64 HydrophobicContact CD2-CD1 4.48Å; Y31-L64 HydrophobicContact CD2-CD2 4.2Å; Y31-L64 HydrophobicContact CE2-CD2 3.86Å; L35-L64 HydrophobicContact CB-CD2 4.5Å; L35-L64 HydrophobicContact CG-CD2 4.04Å; L36-L64 VanDerWaalsContact CA-O 3.25Å; L36-L64 WeakPolarHBondContact CA-O 3.47Å; L36-L64 PolarHBondContact N-O 2.93Å; K37-L64 PolarHBondContact O-N 3.41Å; F39-L64 HydrophobicContact CD2-CB 4.3Å; F39-L64 HydrophobicContact CE2-CB 3.95Å; F39-L64 HydrophobicContact CE2-CD1 3.8Å; F39-L64 HydrophobicContact CZ-CD1 4.36Å; L64-V70 HydrophobicContact CD1-CG2 3.69Å; L64-V70 HydrophobicContact CG-CG2 4.28Å | ||
| 65 | T | 90 | Very high | 81.1 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | trans | -111.3 | 165.5 | -179.3 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | D9 S67 T68 | D9-T65 HydrophobicContact CB-CG2 3.86Å; D9-T65 VanDerWaalsContact CG-CG2 3.48Å; D9-T65 WeakPolarHBondContact OD1-CG2 3.4Å; T65-S67 PolarHBondContact O-N 3.04Å; T65-S67 VanDerWaalsContact O-N 3.11Å; T65-S67 PolarHBondContact OG1-OG 3.39Å; T65-S67 VanDerWaalsContact OG1-OG 3.07Å; T65-T68 PolarHBondContact N-OG1 2.81Å; T65-T68 WeakPolarHBondContact O-CB 3.08Å; T65-T68 PolarHBondContact O-N 3.22Å; T65-T68 PolarHBondContact O-OG1 3.25Å; T65-T68 PolarHBondContact OG1-N 2.98Å; T65-T68 PolarHBondContact OG1-OG1 3.41Å; T65-T68 VanDerWaalsContact OG1-OG1 3.09Å | ||
| 66 | P | 86.7 | Confident | 80.8 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.1 | 177.9 | -13.6 | 24.7 | 0 | 0 | 0 | 114.2 | L35 V434 L436 | L35-P66 HydrophobicContact CD2-CB 4.36Å; L35-P66 HydrophobicContact CD2-CG 3.77Å; P66-V434 HydrophobicContact CB-CB 4.48Å; P66-V434 WeakPolarHBondContact CB-O 3.48Å; P66-L436 HydrophobicContact CG-CB 3.78Å |
| 67 | S | 86.4 | Confident | 80.8 | Confident | 96 Ų | 96 | 39.1 Ų | 39.1 | 67% | 0.671 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -8.2 | 174.6 | 45.2 | 0 | 0 | 0 | 0 | 114.2 | T65 | T65-S67 PolarHBondContact O-N 3.04Å; T65-S67 VanDerWaalsContact O-N 3.11Å; T65-S67 PolarHBondContact OG1-OG 3.39Å; T65-S67 VanDerWaalsContact OG1-OG 3.07Å |
| 68 | T | 88.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -68.9 | 128.1 | 175.2 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | A10 L13 T65 V70 P382 | A10-T68 HydrophobicContact CB-CG2 3.79Å; A10-T68 WeakPolarHBondContact O-CA 3.43Å; A10-T68 VanDerWaalsContact O-CB 3.3Å; A10-T68 WeakPolarHBondContact O-CB 3.21Å; A10-T68 WeakPolarHBondContact O-CG2 3.41Å; A10-T68 PolarHBondContact O-OG1 3.14Å; L13-T68 HydrophobicContact CB-CG2 3.99Å; T65-T68 PolarHBondContact N-OG1 2.81Å; T65-T68 WeakPolarHBondContact O-CB 3.08Å; T65-T68 PolarHBondContact O-N 3.22Å; T65-T68 PolarHBondContact O-OG1 3.25Å; T65-T68 PolarHBondContact OG1-N 2.98Å; T65-T68 PolarHBondContact OG1-OG1 3.41Å; T65-T68 VanDerWaalsContact OG1-OG1 3.09Å; T68-V70 HydrophobicContact CG2-CG2 4.22Å; T68-P382 WeakPolarHBondContact O-CD 3.29Å | ||
| 69 | I | 85.8 | Confident | 82.2 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 110.9 | 168.6 | -59.1 | 164.5 | 0 | 0 | 0 | 108.5 | E11 K12 L13 | E11-I69 PolarHBondContact O-N 3.38Å; K12-I69 VanDerWaalsContact CA-O 3.26Å; K12-I69 WeakPolarHBondContact CA-O 3.36Å; K12-I69 HydrophobicContact CG-CB 4.45Å; L13-I69 PolarHBondContact N-O 2.84Å |
| 70 | V | 86 | Confident | 82.8 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.5 | 174.1 | -171 | 0 | 0 | 0 | 0 | 109.5 | L13 V15 W30 Y31 L64 T68 V72 S380 I381 | L13-V70 CarbonylContact O-C 3.59Å; L13-V70 VanDerWaalsContact O-CA 3.3Å; L13-V70 WeakPolarHBondContact O-CA 3.44Å; V15-V70 HydrophobicContact CG2-CG1 4.17Å; W30-V70 HydrophobicContact CH2-CG1 4.29Å; W30-V70 HydrophobicContact CZ3-CG1 4.03Å; Y31-V70 HydrophobicContact CD2-CG2 4Å; Y31-V70 HydrophobicContact CE2-CG2 3.96Å; L64-V70 HydrophobicContact CD1-CG2 3.69Å; L64-V70 HydrophobicContact CG-CG2 4.28Å; T68-V70 HydrophobicContact CG2-CG2 4.22Å; V70-V72 HydrophobicContact CG1-CG2 3.93Å; V70-S380 CarbonylContact O-C 3.49Å; V70-S380 WeakPolarHBondContact O-CA 3.48Å; V70-I381 PolarHBondContact N-O 3.12Å; V70-I381 PolarHBondContact O-N 2.95Å |
| 71 | H | 82 | Confident | 83.7 | Confident | 20 Ų | 20 | 24 Ų | 24 | 9% | 0.093 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124 | 169.2 | -59.9 | -73.7 | 0 | 0 | 0 | 108.2 | L13 V14 V15 V379 S380 | L13-H71 PolarHBondContact O-N 2.8Å; V14-H71 WeakPolarHBondContact CA-O 3.39Å; V14-H71 HydrophobicContact CG2-CB 3.82Å; V15-H71 PolarHBondContact N-O 2.92Å; H71-V379 CarbonylContact C-O 3.54Å; H71-V379 WeakPolarHBondContact CA-O 3.39Å; H71-S380 PolarHBondContact CE1-OG 3.15Å; H71-S380 PolarHBondContact ND1-OG 3.43Å |
| 72 | V | 80.1 | Confident | 84.2 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.024 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 122.7 | 179.2 | 177.4 | 0 | 0 | 0 | 0 | 110 | V15 L17 L22 L27 V70 T378 V379 | V15-V72 CarbonylContact O-C 3.57Å; V15-V72 VanDerWaalsContact O-CA 3.31Å; V15-V72 WeakPolarHBondContact O-CA 3.49Å; L17-V72 HydrophobicContact CB-CG1 3.74Å; L17-V72 HydrophobicContact CD1-CG1 3.76Å; L17-V72 HydrophobicContact CD1-CG2 4.04Å; L17-V72 HydrophobicContact CG-CG1 3.73Å; L22-V72 HydrophobicContact CD2-CG1 3.58Å; L27-V72 HydrophobicContact CD1-CB 3.91Å; L27-V72 HydrophobicContact CD1-CG1 3.95Å; L27-V72 HydrophobicContact CD1-CG2 3.6Å; V70-V72 HydrophobicContact CG1-CG2 3.93Å; V72-T378 VanDerWaalsContact O-CA 3.29Å; V72-T378 WeakPolarHBondContact O-CA 3.45Å; V72-V379 PolarHBondContact N-O 3.28Å; V72-V379 PolarHBondContact O-N 3.49Å |
| 73 | F | 75.4 | Confident | 84.5 | Confident | 16 Ų | 16 | 23.9 Ų | 23.9 | 7% | 0.07 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.6 | -176.5 | -173.3 | -95.9 | 0 | 0 | 0 | 111 | V14 V15 T75 I120 L369 F377 T378 | V14-F73 HydrophobicContact CG1-CB 4.27Å; V15-F73 PolarHBondContact O-N 2.82Å; F73-T75 HydrophobicContact CD1-CG2 4.48Å; F73-I120 HydrophobicContact CE2-CD1 4.18Å; F73-I120 HydrophobicContact CZ-CD1 4.48Å; F73-L369 HydrophobicContact CD2-CD1 4.22Å; F73-L369 HydrophobicContact CE2-CD1 4.39Å; F73-F377 WeakPolarHBondContact CA-O 3.44Å; F73-F377 HydrophobicContact CD2-CB 3.77Å; F73-F377 HydrophobicContact CE2-CB 3.46Å; F73-F377 VanDerWaalsContact CE2-CB 3.46Å; F73-F377 AromaticContact CE2-CD2 3.93Å; F73-F377 HydrophobicContact CE2-CD2 3.93Å; F73-F377 HydrophobicContact CE2-CG 4Å; F73-F377 HydrophobicContact CZ-CB 4.25Å; F73-F377 HydrophobicContact CZ-CD2 4.42Å; F73-F377 HydrophobicContact CZ-CG 4.49Å; F73-T378 HydrophobicContact CD2-CG2 4.12Å |
| 74 | S | 70.2 | Confident | 84.5 | Confident | 9 Ų | 9 | 20.7 Ų | 20.7 | 6% | 0.063 | 12% | 0.12 | C | C | . | . | trans | -93.4 | 128.9 | 166.9 | -165.8 | 0 | 0 | 0 | 0 | 110.8 | L22 E76 P285 F377 | L22-S74 WeakPolarHBondContact CD1-OG 3.31Å; S74-E76 VanDerWaalsContact C-N 3.26Å; S74-E76 PolarHBondContact O-N 2.91Å; S74-E76 PolarHBondContact OG-N 2.84Å; S74-E76 PolarHBondContact OG-O 3.4Å; S74-P285 WeakPolarHBondContact OG-CG 3.49Å; S74-F377 PolarHBondContact N-O 3.12Å; S74-F377 VanDerWaalsContact N-O 3.14Å | ||
| 75 | T | 64.5 | Low | 84.4 | Confident | 82 Ų | 82 | 20.7 Ų | 20.7 | 50% | 0.503 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -75.5 | -16 | 173.4 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | F73 | F73-T75 HydrophobicContact CD1-CG2 4.48Š|
| 76 | E | 70.6 | Confident | 84 | Confident | 110 Ų | 110 | 20.1 Ų | 20.1 | 51% | 0.514 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -141.2 | 114.5 | -179.6 | -74.4 | 173.4 | -167 | 0 | 0 | 108.2 | K19 S74 P285 | K19-E76 WeakPolarHBondContact CE-OE2 3.47Å; K19-E76 IonicContact NZ-OE2 2.68Å; K19-E76 PolarHBondContact NZ-OE2 3.29Å; S74-E76 VanDerWaalsContact C-N 3.26Å; S74-E76 PolarHBondContact O-N 2.91Å; S74-E76 PolarHBondContact OG-N 2.84Å; S74-E76 PolarHBondContact OG-O 3.4Å; E76-P285 WeakPolarHBondContact O-CD 3.38Å; E76-P285 WeakPolarHBondContact O-CG 3.24Å |
| 77 | C | 79.7 | Confident | 83.5 | Confident | 8 Ų | 8 | 21.3 Ų | 21.3 | 5% | 0.054 | 12% | 0.121 | C | C | . | . | trans | -136.8 | 164.2 | 172.6 | 78.1 | 0 | 0 | 0 | 0 | 111.1 | F133 R134 P285 F377 | C77-F133 WeakPolarHBondContact O-CA 3.42Å; C77-F133 WeakPolarHBondContact O-CB 3.49Å; C77-R134 PolarHBondContact O-N 3.07Å; C77-P285 HydrophobicContact CB-CG 4.01Å; C77-P285 WeakPolarHBondContact CB-O 3.5Å; C77-F377 WeakPolarHBondContact SG-CD1 3.42Å; C77-F377 VanDerWaalsContact SG-CE1 3.52Å | ||
| 78 | S | 86.5 | Confident | 83 | Confident | 9 Ų | 9 | 17.1 Ų | 17.1 | 6% | 0.063 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.2 | 173.5 | -62.7 | 0 | 0 | 0 | 0 | 109.4 | R134 P285 Y286 H287 | S78-R134 CarbonylContact C-O 3.58Å; S78-R134 WeakPolarHBondContact CA-O 3.37Å; S78-P285 PolarHBondContact N-O 3.22Å; S78-P285 VanDerWaalsContact N-O 3.12Å; S78-Y286 CarbonylContact O-C 3.58Å; S78-Y286 VanDerWaalsContact O-CA 3.31Å; S78-Y286 WeakPolarHBondContact O-CA 3.32Å; S78-H287 PolarHBondContact O-N 3.49Å |
| 79 | V | 90.4 | Very high | 82.6 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.5 | -176.4 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | F81 L116 F133 R134 I135 T136 H287 F289 | V79-F81 HydrophobicContact CG1-CD2 3.92Å; V79-F81 HydrophobicContact CG1-CE2 3.54Å; V79-F81 HydrophobicContact CG1-CZ 4.28Å; V79-L116 HydrophobicContact CG1-CD1 4.35Å; V79-F133 HydrophobicContact CB-CD2 4.12Å; V79-F133 HydrophobicContact CB-CE2 4.4Å; V79-F133 HydrophobicContact CG2-CD2 3.65Å; V79-F133 HydrophobicContact CG2-CE2 4.16Å; V79-F133 HydrophobicContact CG2-CG 4.29Å; V79-R134 PolarHBondContact N-O 2.99Å; V79-I135 WeakPolarHBondContact O-CA 3.4Å; V79-T136 PolarHBondContact O-N 3.45Å; V79-H287 WeakPolarHBondContact CA-O 3.34Å; V79-F289 HydrophobicContact CG1-CD2 3.61Å; V79-F289 HydrophobicContact CG1-CE2 3.92Å |
| 80 | V | 91.9 | Very high | 82 | Confident | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.3 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | V82 T136 A273 V277 H287 L288 F289 | V80-V82 HydrophobicContact CG1-CG2 4.45Å; V80-T136 WeakPolarHBondContact CA-O 3.17Å; V80-A273 HydrophobicContact CG1-CB 4.35Å; V80-V277 HydrophobicContact CG2-CG2 3.9Å; V80-H287 PolarHBondContact N-O 3.37Å; V80-L288 HydrophobicContact CB-CD1 4.25Å; V80-L288 HydrophobicContact CG1-CD1 4.16Å; V80-L288 WeakPolarHBondContact O-CA 3.48Å; V80-F289 PolarHBondContact O-N 2.77Å |
| 81 | F | 94.2 | Very high | 81.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.8 | 169.7 | -79.6 | -89.6 | 0 | 0 | 0 | 110.2 | V79 F109 A112 L116 I135 T136 V137 V138 F289 I291 | V79-F81 HydrophobicContact CG1-CD2 3.92Å; V79-F81 HydrophobicContact CG1-CE2 3.54Å; V79-F81 HydrophobicContact CG1-CZ 4.28Å; F81-F109 HydrophobicContact CB-CD2 4.07Å; F81-F109 HydrophobicContact CB-CE2 3.9Å; F81-F109 AromaticContact CD1-CD2 3.7Å; F81-F109 HydrophobicContact CD1-CD2 3.7Å; F81-F109 HydrophobicContact CD1-CE2 4.03Å; F81-F109 HydrophobicContact CD2-CD2 4.37Å; F81-F109 AromaticContact CD2-CE2 3.85Å; F81-F109 HydrophobicContact CD2-CE2 3.85Å; F81-F109 HydrophobicContact CE1-CD2 4.18Å; F81-F109 HydrophobicContact CE2-CE2 4.34Å; F81-F109 AromaticContact CG-CD2 3.8Å; F81-F109 HydrophobicContact CG-CD2 3.8Å; F81-F109 AromaticContact CG-CE2 3.66Å; F81-F109 HydrophobicContact CG-CE2 3.66Å; F81-A112 HydrophobicContact CE1-CB 4.07Å; F81-A112 HydrophobicContact CZ-CB 4.3Å; F81-L116 HydrophobicContact CE2-CD1 3.89Å; F81-L116 HydrophobicContact CZ-CD1 3.67Å; F81-I135 HydrophobicContact CD2-CD1 3.8Å; F81-I135 HydrophobicContact CD2-CG1 3.98Å; F81-I135 HydrophobicContact CE2-CD1 4.05Å; F81-I135 HydrophobicContact CE2-CG1 4.44Å; F81-T136 PolarHBondContact N-O 2.94Å; F81-V137 HydrophobicContact CB-CG1 4.47Å; F81-V137 HydrophobicContact CB-CG2 4.5Å; F81-V137 WeakPolarHBondContact O-CA 3.32Å; F81-V138 PolarHBondContact O-N 2.91Å; F81-F289 CarbonylContact C-O 3.55Å; F81-F289 WeakPolarHBondContact CA-O 3.37Å; F81-F289 HydrophobicContact CD1-CB 3.56Å; F81-F289 HydrophobicContact CD1-CG 4.31Å; F81-F289 HydrophobicContact CE1-CB 3.59Å; F81-F289 HydrophobicContact CE1-CD2 4.05Å; F81-F289 AromaticContact CE1-CG 3.84Å; F81-F289 HydrophobicContact CE1-CG 3.84Å; F81-F289 HydrophobicContact CE2-CD2 4.34Å; F81-F289 HydrophobicContact CG-CB 4.24Å; F81-F289 HydrophobicContact CZ-CB 4.28Å; F81-F289 AromaticContact CZ-CD2 3.9Å; F81-F289 HydrophobicContact CZ-CD2 3.9Å; F81-F289 HydrophobicContact CZ-CE2 4.48Å; F81-F289 HydrophobicContact CZ-CG 4.17Å; F81-I291 HydrophobicContact CD1-CD1 4Å; F81-I291 HydrophobicContact CD1-CG1 4.39Å; F81-I291 HydrophobicContact CE1-CD1 4.27Å |
| 82 | V | 93.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.4 | 166.8 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | V80 V138 I269 A273 L288 F289 V290 I291 | V80-V82 HydrophobicContact CG1-CG2 4.45Å; V82-V138 CarbonylContact C-O 3.58Å; V82-V138 WeakPolarHBondContact CA-O 3.46Å; V82-V138 HydrophobicContact CG2-CB 4.45Å; V82-I269 HydrophobicContact CB-CG2 4.34Å; V82-I269 HydrophobicContact CG1-CG2 3.83Å; V82-A273 HydrophobicContact CG2-CB 3.81Å; V82-L288 HydrophobicContact CG2-CD1 3.83Å; V82-F289 PolarHBondContact N-O 3.08Å; V82-V290 HydrophobicContact CB-CG2 4.42Å; V82-V290 WeakPolarHBondContact O-CA 3.39Å; V82-I291 PolarHBondContact O-N 3.34Å |
| 83 | L | 93.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110 | 176.3 | -50.6 | -175.3 | 0 | 0 | 0 | 107.4 | C85 V105 F109 V137 V138 A139 Y140 L152 F174 I291 | L83-C85 PolarHBondContact O-N 3.09Å; L83-C85 VanDerWaalsContact O-N 3.15Å; L83-V105 HydrophobicContact CB-CG1 3.78Å; L83-V105 HydrophobicContact CD2-CG1 4.25Å; L83-V105 HydrophobicContact CG-CG1 4.5Å; L83-F109 HydrophobicContact CD2-CB 3.72Å; L83-F109 HydrophobicContact CD2-CD2 3.91Å; L83-F109 HydrophobicContact CD2-CG 3.94Å; L83-V137 HydrophobicContact CD1-CG1 3.96Å; L83-V137 HydrophobicContact CG-CG1 4.21Å; L83-V138 PolarHBondContact N-O 2.98Å; L83-A139 CarbonylContact O-C 3.54Å; L83-A139 WeakPolarHBondContact O-CA 3.38Å; L83-Y140 PolarHBondContact O-N 3.28Å; L83-L152 HydrophobicContact CD1-CD1 4.44Å; L83-F174 HydrophobicContact CD1-CD2 4.08Å; L83-F174 HydrophobicContact CD1-CE2 3.95Å; L83-I291 HydrophobicContact CD2-CB 4.31Å; L83-I291 HydrophobicContact CD2-CD1 3.88Å; L83-I291 HydrophobicContact CD2-CG1 4.26Å |
| 84 | D | 89.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 106 | 177.9 | -172 | -2.9 | 0 | 0 | 0 | 110.1 | S86 I291 T292 | D84-S86 WeakPolarHBondContact OD1-CB 3.33Å; D84-S86 PolarHBondContact OD1-N 3.28Å; D84-S86 PolarHBondContact OD1-OG 2.96Å; D84-I291 WeakPolarHBondContact CB-O 3.42Å; D84-I291 PolarHBondContact N-O 3.38Å; D84-T292 VanDerWaalsContact OD2-CB 3.27Å; D84-T292 WeakPolarHBondContact OD2-CB 3.41Å; D84-T292 PolarHBondContact OD2-OG1 3.23Å |
| 85 | C | 87.1 | Confident | 77.6 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | trans | -113.4 | 34.3 | 174.1 | -51.1 | 0 | 0 | 0 | 0 | 109.9 | L83 L102 Y140 S141 Y177 L181 | L83-C85 PolarHBondContact O-N 3.09Å; L83-C85 VanDerWaalsContact O-N 3.15Å; C85-L102 HydrophobicContact CB-CD2 3.77Å; C85-Y140 CarbonylContact C-O 3.56Å; C85-Y140 WeakPolarHBondContact CA-O 3.41Å; C85-Y140 VanDerWaalsContact CB-O 3.23Å; C85-Y140 WeakPolarHBondContact CB-O 3.44Å; C85-Y140 PolarHBondContact N-O 3.35Å; C85-S141 PolarHBondContact O-OG 2.91Å; C85-S141 VanDerWaalsContact O-OG 3.05Å; C85-Y177 HydrophobicContact CB-CE1 4.06Å; C85-L181 HydrophobicContact CB-CD2 4.08Å | ||
| 86 | S | 81.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -64.2 | 168.4 | 166.5 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | D84 S88 A89 | D84-S86 WeakPolarHBondContact OD1-CB 3.33Å; D84-S86 PolarHBondContact OD1-N 3.28Å; D84-S86 PolarHBondContact OD1-OG 2.96Å; S86-S88 PolarHBondContact O-N 3.2Å; S86-S88 PolarHBondContact OG-OG 2.89Å; S86-A89 PolarHBondContact O-N 3.48Å; S86-A89 VanDerWaalsContact O-N 3.16Å |
| 87 | M | 75.6 | Confident | 76.4 | Confident | 57 Ų | 57 | 34.8 Ų | 34.8 | 28% | 0.281 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -63.9 | -22.9 | -173.8 | -67.3 | -58.9 | -59.9 | 0 | 0 | 113.8 | T90 | M87-T90 HydrophobicContact CE-CG2 4.42Å; M87-T90 WeakPolarHBondContact O-CB 3.39Å; M87-T90 PolarHBondContact O-N 3.16Å; M87-T90 PolarHBondContact O-OG1 3.39Å; M87-T90 HydrophobicContact SD-CG2 4.41Å |
| 88 | S | 76.7 | Confident | 75.6 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -69.6 | -34.4 | 176.4 | 53 | 0 | 0 | 0 | 0 | 112.3 | S86 T90 V91 F264 D293 | S86-S88 PolarHBondContact O-N 3.2Å; S86-S88 PolarHBondContact OG-OG 2.89Å; S88-T90 PolarHBondContact O-N 3Å; S88-T90 VanDerWaalsContact O-N 3.14Å; S88-V91 WeakPolarHBondContact O-CB 3.36Å; S88-V91 WeakPolarHBondContact O-CG2 3.15Å; S88-V91 PolarHBondContact O-N 3.13Å; S88-F264 VanDerWaalsContact CB-CE1 3.46Å; S88-F264 WeakPolarHBondContact OG-CE1 3.39Å; S88-D293 WeakPolarHBondContact CB-OD2 3.07Å; S88-D293 PolarHBondContact OG-OD1 3.25Å; S88-D293 PolarHBondContact OG-OD2 3.22Å |
| 89 | A | 79 | Confident | 74.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -65.4 | -14.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S86 V91 I101 L102 | S86-A89 PolarHBondContact O-N 3.48Å; S86-A89 VanDerWaalsContact O-N 3.16Å; A89-V91 VanDerWaalsContact C-N 3.26Å; A89-V91 PolarHBondContact O-N 2.81Å; A89-I101 HydrophobicContact CB-CG2 4.37Å; A89-I101 CarbonylContact O-C 3.41Å; A89-I101 WeakPolarHBondContact O-CB 3.21Å; A89-L102 HydrophobicContact CB-CD2 4.01Å; A89-L102 HydrophobicContact CB-CG 4.09Å; A89-L102 WeakPolarHBondContact O-CG 3.5Å; A89-L102 PolarHBondContact O-N 2.82Å |
| 90 | T | 73.7 | Confident | 73.8 | Confident | 58 Ų | 58 | 45.4 Ų | 45.4 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -77.9 | -6.5 | 176.5 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | M87 S88 V100 L102 | M87-T90 HydrophobicContact CE-CG2 4.42Å; M87-T90 WeakPolarHBondContact O-CB 3.39Å; M87-T90 PolarHBondContact O-N 3.16Å; M87-T90 PolarHBondContact O-OG1 3.39Å; M87-T90 HydrophobicContact SD-CG2 4.41Å; S88-T90 PolarHBondContact O-N 3Å; S88-T90 VanDerWaalsContact O-N 3.14Å; T90-V100 WeakPolarHBondContact O-CG1 3.48Å; T90-L102 HydrophobicContact CG2-CD1 3.96Å |
| 91 | V | 71 | Confident | 73 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -74.5 | 139.8 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | S88 A89 I101 | S88-V91 WeakPolarHBondContact O-CB 3.36Å; S88-V91 WeakPolarHBondContact O-CG2 3.15Å; S88-V91 PolarHBondContact O-N 3.13Å; A89-V91 VanDerWaalsContact C-N 3.26Å; A89-V91 PolarHBondContact O-N 2.81Å; V91-I101 HydrophobicContact CB-CD1 4.39Å; V91-I101 WeakPolarHBondContact O-CG1 3.43Å; V91-I101 PolarHBondContact O-N 3.02Å; V91-I101 VanDerWaalsContact O-N 3.16Å |
| 92 | A | 62.2 | Low | 72.3 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 60% | 0.595 | 27% | 0.27 | S | S | * | . | B | Isolated β-bridge | trans | -77.9 | 132.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 93 | Q | 60.2 | Low | 71.6 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 16% | 0.164 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 123.1 | -174.8 | -166.2 | 171.3 | 3.2 | 0 | 0 | 111.7 | A95 D96 C99 I101 R104 | Q93-A95 PolarHBondContact O-N 2.9Å; Q93-D96 PolarHBondContact O-N 3.4Å; Q93-C99 PolarHBondContact N-O 3.37Å; Q93-I101 HydrophobicContact CB-CG1 4.3Å; Q93-R104 VanDerWaalsContact OE1-CZ 3.28Å |
| 94 | S | 51.5 | Low | 71.2 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 53% | 0.531 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.3 | -171.6 | -171.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 95 | A | 57.4 | Low | 71.2 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 68% | 0.678 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -37.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q93 | Q93-A95 PolarHBondContact O-N 2.9Š|
| 96 | D | 55.4 | Low | 71.2 | Confident | 86 Ų | 86 | 54 Ų | 54 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -116.9 | 100.3 | 178.8 | -76.8 | -31.9 | 0 | 0 | 0 | 108.9 | Q93 N98 C99 R104 | Q93-D96 PolarHBondContact O-N 3.4Å; D96-N98 PolarHBondContact O-N 3.49Å; D96-C99 HydrophobicContact CB-CB 4.16Å; D96-C99 PolarHBondContact O-N 2.63Å; D96-C99 VanDerWaalsContact O-N 3.14Å; D96-R104 IonicContact OD2-CZ 3.16Å; D96-R104 IonicContact OD2-NH2 3.34Å; D96-R104 PolarHBondContact OD2-NH2 3.03Å |
| 97 | K | 54.7 | Low | 71.6 | Confident | 203 Ų | 203 | 55.7 Ų | 55.7 | 88% | 0.883 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -8.7 | -167 | -67.2 | -174.2 | 176.2 | -177.7 | 0 | 117 | ||
| 98 | N | 61.8 | Low | 72.3 | Confident | 164 Ų | 164 | 53 Ų | 53 | 88% | 0.877 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | 19.6 | -175.1 | -64.9 | -3.4 | 0 | 0 | 0 | 113.9 | D96 | D96-N98 PolarHBondContact O-N 3.49Š|
| 99 | C | 65.4 | Low | 73 | Confident | 28 Ų | 28 | 52.6 Ų | 52.6 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | trans | -125.5 | 131.1 | -176.8 | -170.8 | 0 | 0 | 0 | 0 | 113 | Q93 D96 | Q93-C99 PolarHBondContact N-O 3.37Å; D96-C99 HydrophobicContact CB-CB 4.16Å; D96-C99 PolarHBondContact O-N 2.63Å; D96-C99 VanDerWaalsContact O-N 3.14Å | ||
| 100 | V | 73.1 | Confident | 73.7 | Confident | 49 Ų | 49 | 55.7 Ų | 55.7 | 30% | 0.297 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -91.7 | 147.6 | 171.9 | -173.6 | 0 | 0 | 0 | 0 | 109 | T90 L102 D103 | T90-V100 WeakPolarHBondContact O-CG1 3.48Å; V100-L102 HydrophobicContact CG1-CB 4.18Å; V100-L102 PolarHBondContact O-N 3.34Å; V100-D103 PolarHBondContact N-OD2 2.99Å; V100-D103 WeakPolarHBondContact O-CB 3.44Å; V100-D103 PolarHBondContact O-N 3.01Å |
| 101 | I | 76.4 | Confident | 74.4 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.9 | -35.5 | -179.9 | -65.9 | 166 | 0 | 0 | 0 | 111.4 | A89 V91 Q93 D103 R104 V105 D293 I323 T324 | A89-I101 HydrophobicContact CB-CG2 4.37Å; A89-I101 CarbonylContact O-C 3.41Å; A89-I101 WeakPolarHBondContact O-CB 3.21Å; V91-I101 HydrophobicContact CB-CD1 4.39Å; V91-I101 WeakPolarHBondContact O-CG1 3.43Å; V91-I101 PolarHBondContact O-N 3.02Å; V91-I101 VanDerWaalsContact O-N 3.16Å; Q93-I101 HydrophobicContact CB-CG1 4.3Å; I101-D103 VanDerWaalsContact C-N 3.3Å; I101-D103 PolarHBondContact O-N 2.96Å; I101-R104 CarbonylContact O-C 3.56Å; I101-R104 WeakPolarHBondContact O-CA 3.49Å; I101-R104 WeakPolarHBondContact O-CB 3.39Å; I101-R104 PolarHBondContact O-N 2.9Å; I101-V105 PolarHBondContact O-N 3.25Å; I101-D293 HydrophobicContact CG2-CB 3.86Å; I101-I323 HydrophobicContact CG2-CD1 4.26Å; I101-I323 HydrophobicContact CG2-CG2 4.3Å; I101-T324 HydrophobicContact CD1-CG2 4.21Å |
| 102 | L | 79.8 | Confident | 75.4 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -49.9 | -40.4 | 171.1 | -83.6 | 172.9 | 0 | 0 | 0 | 114.7 | C85 A89 T90 V100 R104 V105 Y106 L178 | C85-L102 HydrophobicContact CB-CD2 3.77Å; A89-L102 HydrophobicContact CB-CD2 4.01Å; A89-L102 HydrophobicContact CB-CG 4.09Å; A89-L102 WeakPolarHBondContact O-CG 3.5Å; A89-L102 PolarHBondContact O-N 2.82Å; T90-L102 HydrophobicContact CG2-CD1 3.96Å; V100-L102 HydrophobicContact CG1-CB 4.18Å; V100-L102 PolarHBondContact O-N 3.34Å; L102-R104 VanDerWaalsContact C-N 3.25Å; L102-R104 PolarHBondContact O-N 3.12Å; L102-V105 WeakPolarHBondContact O-CB 3.26Å; L102-V105 PolarHBondContact O-N 3.15Å; L102-Y106 PolarHBondContact O-N 2.89Å; L102-L178 HydrophobicContact CD1-CD2 4.09Å; L102-L178 HydrophobicContact CD2-CD2 4.03Å |
| 103 | D | 78.9 | Confident | 76.8 | Confident | 89 Ų | 89 | 50.2 Ų | 50.2 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 178.5 | -61.9 | -50 | 0 | 0 | 0 | 110.7 | V100 I101 A107 | V100-D103 PolarHBondContact N-OD2 2.99Å; V100-D103 WeakPolarHBondContact O-CB 3.44Å; V100-D103 PolarHBondContact O-N 3.01Å; I101-D103 VanDerWaalsContact C-N 3.3Å; I101-D103 PolarHBondContact O-N 2.96Å; D103-A107 PolarHBondContact O-N 3.26Å |
| 104 | R | 83.9 | Confident | 78.2 | Confident | 47 Ų | 47 | 51.6 Ų | 51.6 | 18% | 0.177 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.8 | -25.6 | 176.5 | -63.8 | 179.6 | 168.2 | -150.2 | -4.2 | 112.9 | Q93 D96 I101 L102 Y106 A107 A108 I323 | Q93-R104 VanDerWaalsContact OE1-CZ 3.28Å; D96-R104 IonicContact OD2-CZ 3.16Å; D96-R104 IonicContact OD2-NH2 3.34Å; D96-R104 PolarHBondContact OD2-NH2 3.03Å; I101-R104 CarbonylContact O-C 3.56Å; I101-R104 WeakPolarHBondContact O-CA 3.49Å; I101-R104 WeakPolarHBondContact O-CB 3.39Å; I101-R104 PolarHBondContact O-N 2.9Å; L102-R104 VanDerWaalsContact C-N 3.25Å; L102-R104 PolarHBondContact O-N 3.12Å; R104-Y106 VanDerWaalsContact C-N 3.34Å; R104-A107 PolarHBondContact O-N 3.42Å; R104-A108 VanDerWaalsContact O-CB 3.27Å; R104-A108 WeakPolarHBondContact O-CB 3.28Å; R104-A108 PolarHBondContact O-N 3.42Å; R104-I323 HydrophobicContact CB-CG2 3.5Å; R104-I323 VanDerWaalsContact CB-CG2 3.5Å; R104-I323 HydrophobicContact CG-CG2 4.42Å |
| 105 | V | 88.8 | Confident | 80 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 171.8 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | L83 I101 L102 A108 F109 I291 I323 | L83-V105 HydrophobicContact CB-CG1 3.78Å; L83-V105 HydrophobicContact CD2-CG1 4.25Å; L83-V105 HydrophobicContact CG-CG1 4.5Å; I101-V105 PolarHBondContact O-N 3.25Å; L102-V105 WeakPolarHBondContact O-CB 3.26Å; L102-V105 PolarHBondContact O-N 3.15Å; V105-A108 PolarHBondContact O-N 3.23Å; V105-F109 PolarHBondContact O-N 3.46Å; V105-I291 HydrophobicContact CG1-CB 4.46Å; V105-I291 HydrophobicContact CG1-CG2 4.12Å; V105-I323 HydrophobicContact CB-CD1 3.94Å; V105-I323 HydrophobicContact CG2-CD1 3.34Å |
| 106 | Y | 89.1 | Confident | 81.4 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.4 | -37.2 | 179.7 | -168.6 | -91.1 | 0 | 0 | 0 | 112.7 | L102 R104 F109 H110 L167 L170 S171 F174 | L102-Y106 PolarHBondContact O-N 2.89Å; R104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-F109 HydrophobicContact CD2-CD1 4.29Å; Y106-F109 AromaticContact CE2-CD1 3.93Å; Y106-F109 HydrophobicContact CE2-CD1 3.93Å; Y106-F109 HydrophobicContact CE2-CE1 4.34Å; Y106-F109 WeakPolarHBondContact O-CB 3.3Å; Y106-F109 PolarHBondContact O-N 3.26Å; Y106-H110 HydrophobicContact CE1-CB 4.39Å; Y106-H110 VanDerWaalsContact O-CB 3.31Å; Y106-H110 WeakPolarHBondContact O-CB 3.21Å; Y106-H110 PolarHBondContact O-N 3.36Å; Y106-L167 PolarHBondContact OH-O 3.04Å; Y106-L170 HydrophobicContact CE2-CB 4.44Å; Y106-S171 WeakPolarHBondContact OH-CA 3.25Å; Y106-S171 PolarHBondContact OH-N 2.96Å; Y106-F174 HydrophobicContact CD2-CB 3.88Å; Y106-F174 AromaticContact CD2-CD1 3.47Å; Y106-F174 HydrophobicContact CD2-CD1 3.47Å; Y106-F174 VanDerWaalsContact CD2-CD1 3.47Å; Y106-F174 HydrophobicContact CD2-CD2 4.4Å; Y106-F174 HydrophobicContact CD2-CE1 4.07Å; Y106-F174 AromaticContact CD2-CG 3.66Å; Y106-F174 HydrophobicContact CD2-CG 3.66Å; Y106-F174 HydrophobicContact CE2-CB 3.99Å; Y106-F174 HydrophobicContact CE2-CD1 4.39Å; Y106-F174 HydrophobicContact CE2-CG 4.27Å; Y106-F174 AromaticContact CG-CD1 3.82Å; Y106-F174 HydrophobicContact CG-CD1 3.82Å; Y106-F174 HydrophobicContact CG-CE1 4.16Å; Y106-F174 HydrophobicContact CG-CG 4.46Å |
| 107 | A | 88.4 | Confident | 83 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 28% | 0.281 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | D103 R104 F109 H110 D111 | D103-A107 PolarHBondContact O-N 3.26Å; R104-A107 PolarHBondContact O-N 3.42Å; A107-F109 VanDerWaalsContact C-N 3.35Å; A107-F109 PolarHBondContact O-N 3.45Å; A107-H110 PolarHBondContact O-N 2.94Å; A107-D111 WeakPolarHBondContact O-CB 3.47Å; A107-D111 VanDerWaalsContact O-CG 3.27Å; A107-D111 PolarHBondContact O-N 3.27Å |
| 108 | A | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R104 V105 A112 I291 I321 Y357 | R104-A108 VanDerWaalsContact O-CB 3.27Å; R104-A108 WeakPolarHBondContact O-CB 3.28Å; R104-A108 PolarHBondContact O-N 3.42Å; V105-A108 PolarHBondContact O-N 3.23Å; A108-A112 VanDerWaalsContact O-CB 3.23Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3.42Å; A108-I291 HydrophobicContact CB-CG2 3.91Å; A108-I321 HydrophobicContact CB-CG2 4.36Å; A108-Y357 HydrophobicContact CB-CD1 4.35Å; A108-Y357 HydrophobicContact CB-CD2 3.73Å; A108-Y357 HydrophobicContact CB-CE1 4.39Å; A108-Y357 HydrophobicContact CB-CE2 3.81Å; A108-Y357 HydrophobicContact CB-CG 4.04Å |
| 109 | F | 93.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.4 | -51.9 | 171.6 | 170.2 | -105.3 | 0 | 0 | 0 | 112.3 | F81 L83 V105 Y106 A107 D111 A112 L113 I135 V137 L167 L170 I291 | F81-F109 HydrophobicContact CB-CD2 4.07Å; F81-F109 HydrophobicContact CB-CE2 3.9Å; F81-F109 AromaticContact CD1-CD2 3.7Å; F81-F109 HydrophobicContact CD1-CD2 3.7Å; F81-F109 HydrophobicContact CD1-CE2 4.03Å; F81-F109 HydrophobicContact CD2-CD2 4.37Å; F81-F109 AromaticContact CD2-CE2 3.85Å; F81-F109 HydrophobicContact CD2-CE2 3.85Å; F81-F109 HydrophobicContact CE1-CD2 4.18Å; F81-F109 HydrophobicContact CE2-CE2 4.34Å; F81-F109 AromaticContact CG-CD2 3.8Å; F81-F109 HydrophobicContact CG-CD2 3.8Å; F81-F109 AromaticContact CG-CE2 3.66Å; F81-F109 HydrophobicContact CG-CE2 3.66Å; L83-F109 HydrophobicContact CD2-CB 3.72Å; L83-F109 HydrophobicContact CD2-CD2 3.91Å; L83-F109 HydrophobicContact CD2-CG 3.94Å; V105-F109 PolarHBondContact O-N 3.46Å; Y106-F109 HydrophobicContact CD2-CD1 4.29Å; Y106-F109 AromaticContact CE2-CD1 3.93Å; Y106-F109 HydrophobicContact CE2-CD1 3.93Å; Y106-F109 HydrophobicContact CE2-CE1 4.34Å; Y106-F109 WeakPolarHBondContact O-CB 3.3Å; Y106-F109 PolarHBondContact O-N 3.26Å; A107-F109 VanDerWaalsContact C-N 3.35Å; A107-F109 PolarHBondContact O-N 3.45Å; F109-D111 VanDerWaalsContact C-N 3.34Å; F109-D111 PolarHBondContact O-N 3.13Å; F109-A112 PolarHBondContact O-N 3.28Å; F109-L113 HydrophobicContact CE1-CD2 4.32Å; F109-L113 HydrophobicContact CZ-CD2 3.83Å; F109-L113 WeakPolarHBondContact O-CB 3.18Å; F109-L113 PolarHBondContact O-N 3.24Å; F109-I135 HydrophobicContact CE2-CD1 4.17Å; F109-I135 HydrophobicContact CZ-CD1 4.18Å; F109-V137 HydrophobicContact CE2-CG1 4.16Å; F109-V137 HydrophobicContact CE2-CG2 3.88Å; F109-V137 HydrophobicContact CZ-CG1 4.22Å; F109-V137 HydrophobicContact CZ-CG2 3.74Å; F109-L167 HydrophobicContact CE1-CD2 4.11Å; F109-L170 HydrophobicContact CE1-CD1 3.7Å; F109-L170 HydrophobicContact CZ-CD1 3.67Å; F109-I291 VanDerWaalsContact CA-CD1 3.46Å; F109-I291 HydrophobicContact CB-CD1 3.75Å; F109-I291 HydrophobicContact CD2-CD1 4.43Å |
| 110 | H | 92.8 | Very high | 85.7 | Confident | 64 Ų | 64 | 33.7 Ų | 33.7 | 30% | 0.296 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.2 | -49.2 | 179.5 | 171.3 | -83.2 | 0 | 0 | 0 | 111.3 | Y106 A107 L113 L114 L167 | Y106-H110 HydrophobicContact CE1-CB 4.39Å; Y106-H110 VanDerWaalsContact O-CB 3.31Å; Y106-H110 WeakPolarHBondContact O-CB 3.21Å; Y106-H110 PolarHBondContact O-N 3.36Å; A107-H110 PolarHBondContact O-N 2.94Å; H110-L113 PolarHBondContact O-N 2.91Å; H110-L114 WeakPolarHBondContact CE1-CD1 3.45Å; H110-L114 WeakPolarHBondContact O-CG 3.49Å; H110-L114 PolarHBondContact O-N 2.93Å; H110-L167 HydrophobicContact CB-CD2 4.29Å |
| 111 | D | 89.4 | Confident | 85.5 | Confident | 47 Ų | 47 | 37.7 Ų | 37.7 | 25% | 0.251 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.8 | -38.5 | 179.3 | -68.6 | -13.2 | 0 | 0 | 0 | 112.9 | A107 F109 K115 Y357 | A107-D111 WeakPolarHBondContact O-CB 3.47Å; A107-D111 VanDerWaalsContact O-CG 3.27Å; A107-D111 PolarHBondContact O-N 3.27Å; F109-D111 VanDerWaalsContact C-N 3.34Å; F109-D111 PolarHBondContact O-N 3.13Å; D111-K115 WeakPolarHBondContact O-CB 3.45Å; D111-K115 VanDerWaalsContact O-CD 3.29Å; D111-K115 WeakPolarHBondContact O-CD 3.5Å; D111-K115 WeakPolarHBondContact O-CG 3.33Å; D111-K115 PolarHBondContact O-N 3.49Å; D111-Y357 HydrophobicContact CB-CE2 4.36Å; D111-Y357 WeakPolarHBondContact OD2-CE2 3.42Å; D111-Y357 PolarHBondContact OD2-OH 3.49Å |
| 112 | A | 90.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F81 A108 F109 K115 L116 I321 Y372 | F81-A112 HydrophobicContact CE1-CB 4.07Å; F81-A112 HydrophobicContact CZ-CB 4.3Å; A108-A112 VanDerWaalsContact O-CB 3.23Å; A108-A112 WeakPolarHBondContact O-CB 3.45Å; A108-A112 PolarHBondContact O-N 3.42Å; F109-A112 PolarHBondContact O-N 3.28Å; A112-K115 PolarHBondContact O-N 3.27Å; A112-L116 WeakPolarHBondContact O-CG 3.36Å; A112-L116 PolarHBondContact O-N 2.95Å; A112-I321 HydrophobicContact CB-CD1 3.8Å; A112-Y372 HydrophobicContact CB-CD1 4.32Å; A112-Y372 HydrophobicContact CB-CE1 4.03Å |
| 113 | L | 92.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.2 | -41.6 | 179.9 | -174.5 | 56.1 | 0 | 0 | 0 | 112.4 | F109 H110 K115 L116 T117 F133 I135 V158 V163 L166 L167 | F109-L113 HydrophobicContact CE1-CD2 4.32Å; F109-L113 HydrophobicContact CZ-CD2 3.83Å; F109-L113 WeakPolarHBondContact O-CB 3.18Å; F109-L113 PolarHBondContact O-N 3.24Å; H110-L113 PolarHBondContact O-N 2.91Å; L113-K115 VanDerWaalsContact C-N 3.29Å; L113-K115 PolarHBondContact O-N 3.08Å; L113-L116 PolarHBondContact O-N 2.98Å; L113-T117 PolarHBondContact O-N 2.87Å; L113-T117 VanDerWaalsContact O-N 3.12Å; L113-T117 PolarHBondContact O-OG1 3.21Å; L113-F133 HydrophobicContact CD1-CE2 4.06Å; L113-F133 HydrophobicContact CD1-CZ 3.84Å; L113-I135 HydrophobicContact CD1-CD1 3.71Å; L113-I135 HydrophobicContact CD2-CD1 3.91Å; L113-I135 HydrophobicContact CG-CD1 4.44Å; L113-V158 HydrophobicContact CD1-CG1 4.43Å; L113-V163 HydrophobicContact CD2-CG2 4.15Å; L113-V163 HydrophobicContact CG-CG2 3.91Å; L113-L166 HydrophobicContact CD2-CD2 3.79Å; L113-L167 HydrophobicContact CD2-CD2 3.9Å; L113-L167 HydrophobicContact CD2-CG 4.33Å |
| 114 | L | 90 | Very high | 82.3 | Confident | 65 Ų | 65 | 41.8 Ų | 41.8 | 34% | 0.34 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 172.3 | -73.9 | 179.5 | 0 | 0 | 0 | 112.3 | H110 T117 K118 V163 L167 | H110-L114 WeakPolarHBondContact CE1-CD1 3.45Å; H110-L114 WeakPolarHBondContact O-CG 3.49Å; H110-L114 PolarHBondContact O-N 2.93Å; L114-T117 PolarHBondContact O-OG1 3.16Å; L114-K118 WeakPolarHBondContact O-CG 3.24Å; L114-K118 PolarHBondContact O-N 3.33Å; L114-V163 HydrophobicContact CD2-CG1 4.41Å; L114-V163 HydrophobicContact CD2-CG2 4.27Å; L114-L167 HydrophobicContact CD1-CD1 4.43Å; L114-L167 HydrophobicContact CD2-CD1 3.65Å; L114-L167 HydrophobicContact CG-CD1 3.81Å |
| 115 | K | 87.3 | Confident | 80.8 | Confident | 51 Ų | 51 | 46.1 Ų | 46.1 | 22% | 0.222 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.2 | -35.4 | 176.3 | -71.1 | 163.9 | -166 | 165.1 | 0 | 112.4 | D111 A112 L113 M361 N370 Y372 Q373 | D111-K115 WeakPolarHBondContact O-CB 3.45Å; D111-K115 VanDerWaalsContact O-CD 3.29Å; D111-K115 WeakPolarHBondContact O-CD 3.5Å; D111-K115 WeakPolarHBondContact O-CG 3.33Å; D111-K115 PolarHBondContact O-N 3.49Å; A112-K115 PolarHBondContact O-N 3.27Å; L113-K115 VanDerWaalsContact C-N 3.29Å; L113-K115 PolarHBondContact O-N 3.08Å; K115-M361 HydrophobicContact CD-SD 4.43Å; K115-N370 PolarHBondContact O-ND2 3.39Å; K115-Y372 HydrophobicContact CB-CD2 3.76Å; K115-Y372 HydrophobicContact CB-CE2 4.4Å; K115-Y372 HydrophobicContact CB-CG 4.47Å; K115-Y372 HydrophobicContact CD-CD2 3.56Å; K115-Y372 HydrophobicContact CD-CE2 3.37Å; K115-Y372 HydrophobicContact CG-CD2 4.28Å; K115-Q373 PolarHBondContact O-NE2 3.39Å |
| 116 | L | 88.3 | Confident | 79.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 174.5 | -75 | 175.8 | 0 | 0 | 0 | 112.4 | V79 F81 A112 L113 K118 P131 F133 F289 Y372 Q373 A376 F377 | V79-L116 HydrophobicContact CG1-CD1 4.35Å; F81-L116 HydrophobicContact CE2-CD1 3.89Å; F81-L116 HydrophobicContact CZ-CD1 3.67Å; A112-L116 WeakPolarHBondContact O-CG 3.36Å; A112-L116 PolarHBondContact O-N 2.95Å; L113-L116 PolarHBondContact O-N 2.98Å; L116-K118 VanDerWaalsContact C-N 3.35Å; L116-K118 PolarHBondContact O-N 3.12Å; L116-P131 WeakPolarHBondContact O-CG 3.39Å; L116-F133 HydrophobicContact CB-CE1 4.18Å; L116-F133 HydrophobicContact CB-CZ 3.85Å; L116-F133 HydrophobicContact CD1-CE2 4.46Å; L116-F133 HydrophobicContact CD1-CZ 4.33Å; L116-F289 HydrophobicContact CD1-CE2 4.28Å; L116-Y372 WeakPolarHBondContact CD2-O 3.18Å; L116-Q373 HydrophobicContact CD2-CG 4.4Å; L116-Q373 PolarHBondContact O-NE2 2.85Å; L116-A376 HydrophobicContact CD2-CB 3.58Å; L116-F377 HydrophobicContact CB-CZ 4.49Å; L116-F377 HydrophobicContact CD2-CE2 4.41Å; L116-F377 HydrophobicContact CD2-CZ 4.15Å |
| 117 | T | 88.2 | Confident | 77.7 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.6 | -177.5 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | L113 L114 F133 V158 V163 | L113-T117 PolarHBondContact O-N 2.87Å; L113-T117 VanDerWaalsContact O-N 3.12Å; L113-T117 PolarHBondContact O-OG1 3.21Å; L114-T117 PolarHBondContact O-OG1 3.16Å; T117-F133 HydrophobicContact CG2-CE1 3.86Å; T117-F133 HydrophobicContact CG2-CZ 3.9Å; T117-V158 HydrophobicContact CG2-CG1 3.72Å; T117-V163 HydrophobicContact CG2-CB 4.12Å; T117-V163 HydrophobicContact CG2-CG2 4.04Å |
| 118 | K | 84.3 | Confident | 76.6 | Confident | 114 Ų | 114 | 53.2 Ų | 53.2 | 50% | 0.496 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -60.6 | 137.2 | 177.5 | -76.3 | -167.8 | 177.9 | -172.7 | 0 | 111.8 | L114 L116 Q373 | L114-K118 WeakPolarHBondContact O-CG 3.24Å; L114-K118 PolarHBondContact O-N 3.33Å; L116-K118 VanDerWaalsContact C-N 3.35Å; L116-K118 PolarHBondContact O-N 3.12Å; K118-Q373 PolarHBondContact O-NE2 2.89Å |
| 119 | P | 79.7 | Confident | 75.7 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 136.6 | 176.8 | -16.9 | 29.4 | 0 | 0 | 0 | 112.3 | I128 | P119-I128 HydrophobicContact CB-CG2 3.37Š|
| 120 | I | 75.6 | Confident | 74.9 | Confident | 22 Ų | 22 | 58 Ų | 58 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.5 | -179.6 | -53.9 | 166.3 | 0 | 0 | 0 | 108.8 | F73 I128 C129 L369 | F73-I120 HydrophobicContact CE2-CD1 4.18Å; F73-I120 HydrophobicContact CZ-CD1 4.48Å; I120-I128 WeakPolarHBondContact O-CA 3.47Å; I120-C129 HydrophobicContact CB-CB 4.34Å; I120-C129 PolarHBondContact N-O 2.99Å; I120-C129 PolarHBondContact O-N 3.46Å; I120-L369 HydrophobicContact CD1-CD1 4.11Å; I120-L369 HydrophobicContact CD1-CG 4.02Å; I120-L369 HydrophobicContact CG2-CD1 4.31Å; I120-L369 HydrophobicContact CG2-CG 4.37Å |
| 121 | R | 67.4 | Low | 74.3 | Confident | 134 Ų | 134 | 55.1 Ų | 55.1 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126.1 | -179.4 | -70.6 | 175.3 | 171.7 | 175.4 | -1.2 | 112.1 | D367 | R121-D367 VanDerWaalsContact CD-OD1 3.31Å; R121-D367 WeakPolarHBondContact CD-OD1 3.41Å; R121-D367 IonicContact CZ-OD1 2.72Å; R121-D367 IonicContact NH1-OD1 3.02Å; R121-D367 PolarHBondContact NH1-OD1 3.46Å |
| 122 | A | 60.7 | Low | 74 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 26% | 0.256 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -92 | 117.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K124 G126 G127 | A122-K124 VanDerWaalsContact C-N 3.31Å; A122-K124 PolarHBondContact O-N 3Å; A122-K124 VanDerWaalsContact O-N 3.08Å; A122-G126 PolarHBondContact O-N 2.96Å; A122-G127 WeakPolarHBondContact CB-O 3.17Å; A122-G127 PolarHBondContact N-O 2.91Å |
| 123 | F | 54.3 | Low | 73.8 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 40% | 0.404 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.5 | -169.1 | -73.8 | -93.6 | 0 | 0 | 0 | 117 | W53 D367 Y368 | W53-F123 AromaticContact CD1-CD2 3.43Å; W53-F123 VanDerWaalsContact CD1-CD2 3.43Å; W53-F123 AromaticContact CD1-CE2 3.85Å; W53-F123 AromaticContact NE1-CD2 3.39Å; W53-F123 AromaticContact NE1-CE2 3.4Å; F123-D367 HydrophobicContact CE1-CB 4.16Å; F123-D367 WeakPolarHBondContact CE2-O 3.41Å; F123-D367 HydrophobicContact CZ-CB 3.82Å; F123-D367 WeakPolarHBondContact CZ-O 3.5Å; F123-Y368 HydrophobicContact CE1-CE1 4.21Å; F123-Y368 AromaticContact CE2-CD1 3.76Å; F123-Y368 HydrophobicContact CE2-CD1 3.76Å; F123-Y368 AromaticContact CE2-CE1 3.56Å; F123-Y368 HydrophobicContact CE2-CE1 3.56Å; F123-Y368 AromaticContact CZ-CD1 3.71Å; F123-Y368 HydrophobicContact CZ-CD1 3.71Å; F123-Y368 AromaticContact CZ-CE1 3.2Å; F123-Y368 HydrophobicContact CZ-CE1 3.2Å; F123-Y368 HydrophobicContact CZ-CE2 4.23Å; F123-Y368 HydrophobicContact CZ-CG 4.4Å; F123-Y368 AromaticContact CZ-CZ 3.49Å; F123-Y368 VanDerWaalsContact CZ-CZ 3.49Å |
| 124 | K | 52.9 | Low | 73.6 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -19.8 | -169.7 | -141.4 | 180 | -171 | -179.9 | 0 | 115.9 | W41 G58 F59 D60 A122 | W41-K124 HydrophobicContact CD2-CD 4.36Å; W41-K124 HydrophobicContact CH2-CB 4.42Å; W41-K124 HydrophobicContact CZ2-CB 4.33Å; W41-K124 HydrophobicContact CZ2-CD 4.08Å; G58-K124 WeakPolarHBondContact O-CE 3.39Å; G58-K124 PolarHBondContact O-NZ 2.95Å; F59-K124 VanDerWaalsContact C-NZ 3.28Å; F59-K124 PolarHBondContact O-NZ 3.46Å; D60-K124 IonicContact OD1-NZ 2.89Å; D60-K124 PolarHBondContact OD1-NZ 3.07Å; A122-K124 VanDerWaalsContact C-N 3.31Å; A122-K124 PolarHBondContact O-N 3Å; A122-K124 VanDerWaalsContact O-N 3.08Å |
| 125 | H | 53.4 | Low | 73.6 | Confident | 138 Ų | 138 | 60.8 Ų | 60.8 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.3 | -5.6 | -178.8 | -72.1 | -55.5 | 0 | 0 | 0 | 114.2 | G127 | H125-G127 PolarHBondContact O-N 3.15Å; H125-G127 VanDerWaalsContact O-N 3.08Å |
| 126 | G | 54.7 | Low | 73.7 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 67% | 0.67 | 31% | 0.307 | S | S | * | . | trans | 67.3 | 4.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A122 I128 | A122-G126 PolarHBondContact O-N 2.96Å; G126-I128 PolarHBondContact O-N 2.98Å | ||
| 127 | G | 58 | Low | 73.9 | Confident | 40 Ų | 40 | 58.6 Ų | 58.6 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | trans | -63.6 | 123.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A122 H125 | A122-G127 WeakPolarHBondContact CB-O 3.17Å; A122-G127 PolarHBondContact N-O 2.91Å; H125-G127 PolarHBondContact O-N 3.15Å; H125-G127 VanDerWaalsContact O-N 3.08Å | ||
| 128 | I | 65 | Low | 74 | Confident | 106 Ų | 106 | 58.3 Ų | 58.3 | 54% | 0.544 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 114.4 | 170 | -59.6 | 177.3 | 0 | 0 | 0 | 106.7 | P119 I120 G126 | P119-I128 HydrophobicContact CB-CG2 3.37Å; I120-I128 WeakPolarHBondContact O-CA 3.47Å; G126-I128 PolarHBondContact O-N 2.98Å |
| 129 | C | 70.7 | Confident | 74.3 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 108.9 | 171.7 | -177 | 0 | 0 | 0 | 0 | 108.6 | I120 P131 | I120-C129 HydrophobicContact CB-CB 4.34Å; I120-C129 PolarHBondContact N-O 2.99Å; I120-C129 PolarHBondContact O-N 3.46Å; C129-P131 WeakPolarHBondContact O-CD 3.13Å |
| 130 | C | 77.6 | Confident | 74.7 | Confident | 60 Ų | 60 | 49.7 Ų | 49.7 | 41% | 0.405 | 26% | 0.261 | S | S | . | . | trans | -86.1 | 115.8 | 168.9 | -65.9 | 0 | 0 | 0 | 0 | 108.4 | R132 | C130-R132 PolarHBondContact O-N 2.86Š| ||
| 131 | P | 79 | Confident | 75 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.032 | 26% | 0.255 | C | S | . | . | trans | -68.3 | 132.5 | -179.4 | 27.1 | -32.5 | 0 | 0 | 0 | 110.6 | L116 C129 F377 | L116-P131 WeakPolarHBondContact O-CG 3.39Å; C129-P131 WeakPolarHBondContact O-CD 3.13Å; P131-F377 HydrophobicContact CB-CD2 4.34Å; P131-F377 HydrophobicContact CB-CE2 3.56Å; P131-F377 HydrophobicContact CB-CZ 3.87Å; P131-F377 HydrophobicContact CG-CE2 4.01Å; P131-F377 HydrophobicContact CG-CZ 4.47Å | ||
| 132 | R | 84.3 | Confident | 75.3 | Confident | 163 Ų | 163 | 42.5 Ų | 42.5 | 62% | 0.615 | 23% | 0.233 | S | C | * | . | trans | -119.4 | 124.5 | 172 | -179.8 | 174.8 | 171.3 | 137.1 | -6.8 | 108.7 | C130 V158 D159 | C130-R132 PolarHBondContact O-N 2.86Å; R132-V158 WeakPolarHBondContact CA-O 3.49Å; R132-D159 HydrophobicContact CB-CB 4.43Å | ||
| 133 | F | 86.2 | Confident | 75.8 | Confident | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 159.8 | -175.6 | 57 | -85 | 0 | 0 | 0 | 110.1 | C77 V79 L113 L116 T117 V158 F377 | C77-F133 WeakPolarHBondContact O-CA 3.42Å; C77-F133 WeakPolarHBondContact O-CB 3.49Å; V79-F133 HydrophobicContact CB-CD2 4.12Å; V79-F133 HydrophobicContact CB-CE2 4.4Å; V79-F133 HydrophobicContact CG2-CD2 3.65Å; V79-F133 HydrophobicContact CG2-CE2 4.16Å; V79-F133 HydrophobicContact CG2-CG 4.29Å; L113-F133 HydrophobicContact CD1-CE2 4.06Å; L113-F133 HydrophobicContact CD1-CZ 3.84Å; L116-F133 HydrophobicContact CB-CE1 4.18Å; L116-F133 HydrophobicContact CB-CZ 3.85Å; L116-F133 HydrophobicContact CD1-CE2 4.46Å; L116-F133 HydrophobicContact CD1-CZ 4.33Å; T117-F133 HydrophobicContact CG2-CE1 3.86Å; T117-F133 HydrophobicContact CG2-CZ 3.9Å; F133-V158 HydrophobicContact CE2-CB 4.33Å; F133-V158 HydrophobicContact CZ-CB 4.35Å; F133-V158 HydrophobicContact CZ-CG1 4.36Å; F133-V158 PolarHBondContact N-O 3.44Å; F133-V158 VanDerWaalsContact N-O 3.16Å; F133-V158 PolarHBondContact O-N 3.36Å; F133-F377 HydrophobicContact CB-CE1 4.22Å; F133-F377 AromaticContact CD1-CE1 3.89Å; F133-F377 HydrophobicContact CD1-CE1 3.89Å; F133-F377 AromaticContact CD1-CZ 3.59Å; F133-F377 HydrophobicContact CD1-CZ 3.59Å; F133-F377 HydrophobicContact CE1-CE1 4.46Å; F133-F377 AromaticContact CE1-CZ 3.83Å; F133-F377 HydrophobicContact CE1-CZ 3.83Å; F133-F377 HydrophobicContact CG-CE1 4.06Å; F133-F377 HydrophobicContact CG-CZ 4.22Å |
| 134 | R | 87.9 | Confident | 76.2 | Confident | 63 Ų | 63 | 38.6 Ų | 38.6 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 144.9 | 172.2 | -56.1 | -169.7 | -165.6 | -159 | 7.8 | 110.1 | C77 S78 V79 D155 V156 D282 | C77-R134 PolarHBondContact O-N 3.07Å; S78-R134 CarbonylContact C-O 3.58Å; S78-R134 WeakPolarHBondContact CA-O 3.37Å; V79-R134 PolarHBondContact N-O 2.99Å; R134-D155 WeakPolarHBondContact CB-OD1 3.37Å; R134-D155 VanDerWaalsContact CD-CG 3.44Å; R134-D155 WeakPolarHBondContact CD-OD1 3.39Å; R134-D155 WeakPolarHBondContact CD-OD2 3.3Å; R134-D155 IonicContact CZ-OD2 3.57Å; R134-D155 IonicContact NE-OD2 2.72Å; R134-D155 IonicContact NH1-OD2 3.95Å; R134-D155 PolarHBondContact NH1-OD2 3.28Å; R134-V156 CarbonylContact C-O 3.54Å; R134-V156 WeakPolarHBondContact CA-O 3.47Å; R134-D282 IonicContact CZ-OD2 3.64Å; R134-D282 IonicContact NE-OD2 2.67Å; R134-D282 IonicContact NH2-OD2 3.17Å; R134-D282 PolarHBondContact NH2-OD2 3.3Å |
| 135 | I | 89.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.2 | 177.4 | -158.7 | 178.1 | 0 | 0 | 0 | 111.8 | V79 F81 F109 L113 V137 L153 D155 V156 V158 L166 | V79-I135 WeakPolarHBondContact O-CA 3.4Å; F81-I135 HydrophobicContact CD2-CD1 3.8Å; F81-I135 HydrophobicContact CD2-CG1 3.98Å; F81-I135 HydrophobicContact CE2-CD1 4.05Å; F81-I135 HydrophobicContact CE2-CG1 4.44Å; F109-I135 HydrophobicContact CE2-CD1 4.17Å; F109-I135 HydrophobicContact CZ-CD1 4.18Å; L113-I135 HydrophobicContact CD1-CD1 3.71Å; L113-I135 HydrophobicContact CD2-CD1 3.91Å; L113-I135 HydrophobicContact CG-CD1 4.44Å; I135-V137 HydrophobicContact CD1-CG2 3.81Å; I135-V137 HydrophobicContact CG1-CG2 3.99Å; I135-L153 HydrophobicContact CG2-CD2 3.71Å; I135-D155 WeakPolarHBondContact O-CA 3.46Å; I135-D155 PolarHBondContact O-N 3.19Å; I135-V156 HydrophobicContact CG2-CB 4.4Å; I135-V156 PolarHBondContact N-O 3.16Å; I135-V156 PolarHBondContact O-N 3.2Å; I135-V158 HydrophobicContact CB-CG2 3.94Å; I135-V158 HydrophobicContact CG2-CG2 3.42Å; I135-V158 VanDerWaalsContact CG2-CG2 3.42Å; I135-L166 HydrophobicContact CG2-CD2 4.38Å |
| 136 | T | 90.5 | Very high | 77.1 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.5 | 163.1 | -67 | 0 | 0 | 0 | 0 | 108.3 | V79 V80 F81 V138 V151 L153 Q154 D155 T276 | V79-T136 PolarHBondContact O-N 3.45Å; V80-T136 WeakPolarHBondContact CA-O 3.17Å; F81-T136 PolarHBondContact N-O 2.94Å; T136-V138 HydrophobicContact CG2-CG2 4.21Å; T136-V151 HydrophobicContact CG2-CG1 4.42Å; T136-L153 CarbonylContact C-O 3.52Å; T136-L153 WeakPolarHBondContact CA-O 3.44Å; T136-L153 WeakPolarHBondContact CG2-O 3.38Å; T136-Q154 HydrophobicContact CG2-CG 4.45Å; T136-D155 PolarHBondContact OG1-N 3.08Å; T136-T276 HydrophobicContact CG2-CG2 3.98Å |
| 137 | V | 92.1 | Very high | 77 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121.8 | -178 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | F81 L83 F109 I135 L152 L153 L170 | F81-V137 HydrophobicContact CB-CG1 4.47Å; F81-V137 HydrophobicContact CB-CG2 4.5Å; F81-V137 WeakPolarHBondContact O-CA 3.32Å; L83-V137 HydrophobicContact CD1-CG1 3.96Å; L83-V137 HydrophobicContact CG-CG1 4.21Å; F109-V137 HydrophobicContact CE2-CG1 4.16Å; F109-V137 HydrophobicContact CE2-CG2 3.88Å; F109-V137 HydrophobicContact CZ-CG1 4.22Å; F109-V137 HydrophobicContact CZ-CG2 3.74Å; I135-V137 HydrophobicContact CD1-CG2 3.81Å; I135-V137 HydrophobicContact CG1-CG2 3.99Å; V137-L152 HydrophobicContact CG1-CD1 4.24Å; V137-L152 PolarHBondContact O-N 2.87Å; V137-L153 HydrophobicContact CB-CB 4.27Å; V137-L153 HydrophobicContact CG2-CB 4.37Å; V137-L153 HydrophobicContact CG2-CD2 4.43Å; V137-L153 PolarHBondContact N-O 2.88Å; V137-L153 PolarHBondContact O-N 3.06Å; V137-L170 HydrophobicContact CB-CD2 4.31Å; V137-L170 HydrophobicContact CG2-CD1 4.18Å; V137-L170 HydrophobicContact CG2-CD2 4.3Å |
| 138 | V | 90.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.7 | -178.2 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | F81 V82 L83 T136 Q150 V151 L272 T276 | F81-V138 PolarHBondContact O-N 2.91Å; V82-V138 CarbonylContact C-O 3.58Å; V82-V138 WeakPolarHBondContact CA-O 3.46Å; V82-V138 HydrophobicContact CG2-CB 4.45Å; L83-V138 PolarHBondContact N-O 2.98Å; T136-V138 HydrophobicContact CG2-CG2 4.21Å; V138-Q150 CarbonylContact C-O 3.6Å; V138-Q150 WeakPolarHBondContact CA-O 3.45Å; V138-Q150 HydrophobicContact CG1-CB 4.35Å; V138-Q150 WeakPolarHBondContact CG1-O 3.38Å; V138-V151 HydrophobicContact CG1-CG2 4.49Å; V138-V151 HydrophobicContact CG2-CG2 4.28Å; V138-L272 HydrophobicContact CG1-CD2 3.57Å; V138-L272 HydrophobicContact CG1-CG 3.95Å; V138-T276 HydrophobicContact CG2-CG2 3.77Å |
| 139 | A | 90 | Very high | 77.1 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 100.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L83 Q150 L152 F174 Y177 | L83-A139 CarbonylContact O-C 3.54Å; L83-A139 WeakPolarHBondContact O-CA 3.38Å; A139-Q150 PolarHBondContact N-O 2.83Å; A139-Q150 VanDerWaalsContact O-CB 3.27Å; A139-Q150 WeakPolarHBondContact O-CB 3.27Å; A139-Q150 WeakPolarHBondContact O-CG 3.43Å; A139-L152 HydrophobicContact CB-CD1 4.11Å; A139-L152 HydrophobicContact CB-CG 4.32Å; A139-F174 HydrophobicContact CB-CD2 4.5Å; A139-F174 HydrophobicContact CB-CE2 4.29Å; A139-Y177 HydrophobicContact CB-CD1 3.86Å; A139-Y177 HydrophobicContact CB-CD2 4.24Å; A139-Y177 HydrophobicContact CB-CE1 3.5Å; A139-Y177 HydrophobicContact CB-CE2 3.87Å; A139-Y177 HydrophobicContact CB-CG 4.22Å; A139-Y177 VanDerWaalsContact CB-CZ 3.49Å; A139-Y177 PolarHBondContact O-OH 3Å |
| 140 | Y | 87.6 | Confident | 77.6 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 138.2 | -179.8 | 171.6 | -98.9 | 0 | 0 | 0 | 110.8 | L83 C85 D268 I269 L272 | L83-Y140 PolarHBondContact O-N 3.28Å; C85-Y140 CarbonylContact C-O 3.56Å; C85-Y140 WeakPolarHBondContact CA-O 3.41Å; C85-Y140 VanDerWaalsContact CB-O 3.23Å; C85-Y140 WeakPolarHBondContact CB-O 3.44Å; C85-Y140 PolarHBondContact N-O 3.35Å; Y140-D268 HydrophobicContact CE2-CB 3.83Å; Y140-I269 HydrophobicContact CD1-CD1 3.95Å; Y140-I269 HydrophobicContact CD1-CG1 3.51Å; Y140-I269 HydrophobicContact CD2-CG1 4.04Å; Y140-I269 HydrophobicContact CE1-CD1 4.04Å; Y140-I269 HydrophobicContact CE1-CG1 3.58Å; Y140-I269 HydrophobicContact CE2-CG1 4.11Å; Y140-I269 HydrophobicContact CG-CG1 3.74Å; Y140-L272 HydrophobicContact CD2-CD2 4.01Å |
| 141 | S | 82.1 | Confident | 78 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -141.7 | 149.9 | 162.7 | -166.4 | 0 | 0 | 0 | 0 | 111 | C85 L143 Q150 L181 R787 | C85-S141 PolarHBondContact O-OG 2.91Å; C85-S141 VanDerWaalsContact O-OG 3.05Å; S141-L143 PolarHBondContact O-N 2.72Å; S141-L143 PolarHBondContact OG-N 2.8Å; S141-Q150 PolarHBondContact O-NE2 2.75Å; S141-L181 WeakPolarHBondContact OG-CD1 3.45Å; S141-R787 PolarHBondContact O-NE 3.32Å | ||
| 142 | S | 74.4 | Confident | 78.3 | Confident | 5 Ų | 5 | 17.3 Ų | 17.3 | 4% | 0.035 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -65.4 | -23.3 | 171.7 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | T261 | S142-T261 PolarHBondContact O-OG1 3.34Š|
| 143 | L | 70.4 | Confident | 78.4 | Confident | 6 Ų | 6 | 9.9 Ų | 9.9 | 3% | 0.031 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -73.3 | 128.4 | 171.2 | -55.3 | -173.7 | 0 | 0 | 0 | 110.9 | S141 Q150 L181 V184 A185 K188 | S141-L143 PolarHBondContact O-N 2.72Å; S141-L143 PolarHBondContact OG-N 2.8Å; L143-Q150 PolarHBondContact O-NE2 3.31Å; L143-L181 HydrophobicContact CB-CD1 4.47Å; L143-L181 HydrophobicContact CD1-CD1 3.95Å; L143-L181 HydrophobicContact CG-CD1 4.47Å; L143-V184 HydrophobicContact CB-CG1 4.45Å; L143-V184 HydrophobicContact CD1-CG1 4.17Å; L143-A185 HydrophobicContact CD1-CB 3.8Å; L143-K188 HydrophobicContact CD2-CD 3.65Å |
| 144 | Y | 62 | Low | 78.3 | Confident | 35 Ų | 35 | 10.1 Ų | 10.1 | 14% | 0.137 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -74.1 | 155.3 | 177.3 | -76.7 | -79.2 | 0 | 0 | 0 | 112.2 | I146 T259 T261 P773 S783 R787 | Y144-I146 PolarHBondContact O-N 3.4Å; Y144-T259 WeakPolarHBondContact CE2-OG1 3.2Å; Y144-T261 HydrophobicContact CE2-CG2 3.77Å; Y144-T261 WeakPolarHBondContact OH-CG2 3.47Å; Y144-P773 HydrophobicContact CE1-CG 4.04Å; Y144-P773 HydrophobicContact CE2-CG 4.42Å; Y144-S783 VanDerWaalsContact OH-CB 3.29Å; Y144-S783 WeakPolarHBondContact OH-CB 3.16Å; Y144-R787 VanDerWaalsContact CE1-CZ 3.46Å |
| 145 | C | 59.8 | Low | 77.9 | Confident | 8 Ų | 8 | 7.6 Ų | 7.6 | 5% | 0.054 | 5% | 0.048 | C | C | . | . | trans | 56.3 | 39.5 | 159.1 | -56.9 | 0 | 0 | 0 | 0 | 116.3 | P770 F771 F791 | C145-P770 HydrophobicContact CB-CB 3.45Å; C145-P770 VanDerWaalsContact CB-CB 3.45Å; C145-P770 HydrophobicContact CB-CG 4.24Å; C145-F771 PolarHBondContact SG-O 3.27Å; C145-F791 HydrophobicContact CB-CE1 4.16Å | ||
| 146 | I | 65.5 | Low | 77.7 | Confident | 5 Ų | 5 | 9.2 Ų | 9.2 | 3% | 0.026 | 6% | 0.058 | C | C | . | . | trans | -58.3 | 125.9 | 174.4 | -60.7 | 168.4 | 0 | 0 | 0 | 109.5 | Y144 G148 G149 Q150 Y177 C180 L181 | Y144-I146 PolarHBondContact O-N 3.4Å; I146-G148 PolarHBondContact O-N 2.93Å; I146-G148 VanDerWaalsContact O-N 3.09Å; I146-G149 PolarHBondContact O-N 2.83Å; I146-Q150 HydrophobicContact CD1-CG 4.46Å; I146-Y177 HydrophobicContact CB-CE2 4.42Å; I146-Y177 HydrophobicContact CD1-CE2 3.67Å; I146-Y177 WeakPolarHBondContact CD1-OH 3.28Å; I146-Y177 HydrophobicContact CG2-CD2 4.16Å; I146-Y177 HydrophobicContact CG2-CE2 4.09Å; I146-C180 HydrophobicContact CG2-CB 3.72Å; I146-L181 HydrophobicContact CD1-CB 4.47Å; I146-L181 HydrophobicContact CD1-CD1 3.71Å; I146-L181 HydrophobicContact CG1-CD1 4.45Å | ||
| 147 | P | 54 | Low | 77.5 | Confident | 12 Ų | 12 | 10.8 Ų | 10.8 | 8% | 0.078 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 116.3 | 180 | -27 | 33.8 | 0 | 0 | 0 | 112.2 | C180 | P147-C180 PolarHBondContact O-SG 3.49Å; P147-C180 VanDerWaalsContact O-SG 3.4Å |
| 148 | G | 56.4 | Low | 77.3 | Confident | 23 Ų | 23 | 10.7 Ų | 10.7 | 24% | 0.237 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111.1 | -11.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | I146 K790 | I146-G148 PolarHBondContact O-N 2.93Å; I146-G148 VanDerWaalsContact O-N 3.09Å; G148-K790 WeakPolarHBondContact O-CD 3.29Å; G148-K790 WeakPolarHBondContact O-CE 3.26Å; G148-K790 PolarHBondContact O-NZ 2.69Å |
| 149 | G | 68.3 | Low | 77.1 | Confident | 12 Ų | 12 | 12 Ų | 12 | 12% | 0.124 | 8% | 0.078 | C | C | . | . | trans | 84.4 | 164.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I146 | I146-G149 PolarHBondContact O-N 2.83Š| ||
| 150 | Q | 81.3 | Confident | 76.9 | Confident | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -89.2 | -11 | 179.2 | -65.4 | -164.4 | -3.6 | 0 | 0 | 113.4 | V138 A139 S141 L143 I146 Y177 L272 R787 | V138-Q150 CarbonylContact C-O 3.6Å; V138-Q150 WeakPolarHBondContact CA-O 3.45Å; V138-Q150 HydrophobicContact CG1-CB 4.35Å; V138-Q150 WeakPolarHBondContact CG1-O 3.38Å; A139-Q150 PolarHBondContact N-O 2.83Å; A139-Q150 VanDerWaalsContact O-CB 3.27Å; A139-Q150 WeakPolarHBondContact O-CB 3.27Å; A139-Q150 WeakPolarHBondContact O-CG 3.43Å; S141-Q150 PolarHBondContact O-NE2 2.75Å; L143-Q150 PolarHBondContact O-NE2 3.31Å; I146-Q150 HydrophobicContact CD1-CG 4.46Å; Q150-Y177 HydrophobicContact CG-CE2 4.25Å; Q150-L272 HydrophobicContact CB-CD2 4.46Å; Q150-R787 HydrophobicContact CB-CB 4.28Å; Q150-R787 WeakPolarHBondContact CB-O 3.3Å; Q150-R787 HydrophobicContact CG-CB 4.04Å; Q150-R787 HydrophobicContact CG-CG 4.4Å; Q150-R787 PolarHBondContact N-O 2.85Å |
| 151 | V | 84.8 | Confident | 76.9 | Confident | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.03 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 114 | 176.3 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | T136 V138 Q154 F788 P909 | T136-V151 HydrophobicContact CG2-CG1 4.42Å; V138-V151 HydrophobicContact CG1-CG2 4.49Å; V138-V151 HydrophobicContact CG2-CG2 4.28Å; V151-Q154 HydrophobicContact CG1-CB 4.14Å; V151-F788 HydrophobicContact CG2-CD2 3.62Å; V151-F788 HydrophobicContact CG2-CE2 4.05Å; V151-P909 HydrophobicContact CB-CB 3.86Å; V151-P909 HydrophobicContact CB-CG 3.53Å; V151-P909 HydrophobicContact CG1-CB 3.77Å; V151-P909 HydrophobicContact CG1-CG 3.81Å; V151-P909 HydrophobicContact CG2-CG 3.79Å |
| 152 | L | 86.6 | Confident | 77.4 | Confident | 15 Ų | 15 | 22.5 Ų | 22.5 | 8% | 0.079 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -33.4 | -178.3 | -55.4 | 177.1 | 0 | 0 | 0 | 112 | L83 V137 A139 L170 R173 F174 Y177 | L83-L152 HydrophobicContact CD1-CD1 4.44Å; V137-L152 HydrophobicContact CG1-CD1 4.24Å; V137-L152 PolarHBondContact O-N 2.87Å; A139-L152 HydrophobicContact CB-CD1 4.11Å; A139-L152 HydrophobicContact CB-CG 4.32Å; L152-L170 HydrophobicContact CB-CD2 4.23Å; L152-R173 WeakPolarHBondContact O-CD 3.36Å; L152-R173 PolarHBondContact O-NH1 3.01Å; L152-F174 HydrophobicContact CD1-CB 4.29Å; L152-F174 HydrophobicContact CD1-CD2 3.87Å; L152-Y177 HydrophobicContact CD2-CD2 4.3Å; L152-Y177 HydrophobicContact CD2-CG 4.2Å |
| 153 | L | 86.6 | Confident | 78.2 | Confident | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 137.6 | -175.2 | -169.4 | 72.8 | 0 | 0 | 0 | 108.8 | I135 T136 V137 V156 L166 L170 | I135-L153 HydrophobicContact CG2-CD2 3.71Å; T136-L153 CarbonylContact C-O 3.52Å; T136-L153 WeakPolarHBondContact CA-O 3.44Å; T136-L153 WeakPolarHBondContact CG2-O 3.38Å; V137-L153 HydrophobicContact CB-CB 4.27Å; V137-L153 HydrophobicContact CG2-CB 4.37Å; V137-L153 HydrophobicContact CG2-CD2 4.43Å; V137-L153 PolarHBondContact N-O 2.88Å; V137-L153 PolarHBondContact O-N 3.06Å; L153-V156 HydrophobicContact CD1-CB 4.4Å; L153-V156 HydrophobicContact CD1-CG2 3.64Å; L153-V156 HydrophobicContact CD2-CB 4.26Å; L153-V156 HydrophobicContact CD2-CG2 4.35Å; L153-V156 HydrophobicContact CG-CB 4.28Å; L153-V156 HydrophobicContact CG-CG2 3.86Å; L153-L166 HydrophobicContact CD2-CD1 3.95Å; L153-L166 HydrophobicContact CD2-CD2 4.17Å; L153-L166 HydrophobicContact CD2-CG 4.16Å; L153-L170 HydrophobicContact CB-CD2 3.79Å; L153-L170 HydrophobicContact CD2-CD1 4.02Å; L153-L170 HydrophobicContact CD2-CD2 4.01Å; L153-L170 HydrophobicContact CD2-CG 4.22Å; L153-L170 HydrophobicContact CG-CD2 4.44Å |
| 154 | Q | 84.4 | Confident | 79.2 | Confident | 9 Ų | 9 | 25.5 Ų | 25.5 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 132.5 | 179.8 | -174.3 | 179.1 | -1 | 0 | 0 | 110.8 | T136 V151 V156 D279 P909 N913 | T136-Q154 HydrophobicContact CG2-CG 4.45Å; V151-Q154 HydrophobicContact CG1-CB 4.14Å; Q154-V156 VanDerWaalsContact C-N 3.35Å; Q154-V156 WeakPolarHBondContact O-CG2 3.45Å; Q154-V156 PolarHBondContact O-N 3.08Å; Q154-D279 PolarHBondContact NE2-OD2 2.91Å; Q154-P909 HydrophobicContact CB-CB 4.31Å; Q154-P909 VanDerWaalsContact OE1-CB 3.3Å; Q154-P909 VanDerWaalsContact OE1-CD 3.28Å; Q154-N913 PolarHBondContact O-ND2 3.09Å |
| 155 | D | 79.5 | Confident | 80.6 | Confident | 11 Ų | 11 | 30.2 Ų | 30.2 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.4 | 41.5 | 170.3 | -154.3 | 47 | 0 | 0 | 0 | 116.7 | R134 I135 T136 V851 | R134-D155 WeakPolarHBondContact CB-OD1 3.37Å; R134-D155 VanDerWaalsContact CD-CG 3.44Å; R134-D155 WeakPolarHBondContact CD-OD1 3.39Å; R134-D155 WeakPolarHBondContact CD-OD2 3.3Å; R134-D155 IonicContact CZ-OD2 3.57Å; R134-D155 IonicContact NE-OD2 2.72Å; R134-D155 IonicContact NH1-OD2 3.95Å; R134-D155 PolarHBondContact NH1-OD2 3.28Å; I135-D155 WeakPolarHBondContact O-CA 3.46Å; I135-D155 PolarHBondContact O-N 3.19Å; T136-D155 PolarHBondContact OG1-N 3.08Å; D155-V851 WeakPolarHBondContact OD2-CG2 3.36Å |
| 156 | V | 84.4 | Confident | 82.1 | Confident | 33 Ų | 33 | 30.7 Ų | 30.7 | 20% | 0.2 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.6 | 179.6 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | R134 I135 L153 Q154 V158 L166 | R134-V156 CarbonylContact C-O 3.54Å; R134-V156 WeakPolarHBondContact CA-O 3.47Å; I135-V156 HydrophobicContact CG2-CB 4.4Å; I135-V156 PolarHBondContact N-O 3.16Å; I135-V156 PolarHBondContact O-N 3.2Å; L153-V156 HydrophobicContact CD1-CB 4.4Å; L153-V156 HydrophobicContact CD1-CG2 3.64Å; L153-V156 HydrophobicContact CD2-CB 4.26Å; L153-V156 HydrophobicContact CD2-CG2 4.35Å; L153-V156 HydrophobicContact CG-CB 4.28Å; L153-V156 HydrophobicContact CG-CG2 3.86Å; Q154-V156 VanDerWaalsContact C-N 3.35Å; Q154-V156 WeakPolarHBondContact O-CG2 3.45Å; Q154-V156 PolarHBondContact O-N 3.08Å; V156-V158 PolarHBondContact O-N 3.27Å; V156-L166 HydrophobicContact CG1-CD1 3.74Å |
| 157 | A | 86.4 | Confident | 83.3 | Confident | 37 Ų | 37 | 30.9 Ų | 30.9 | 31% | 0.306 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 129 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N162 | A157-N162 PolarHBondContact O-ND2 3.27Å |
| 158 | V | 88.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 139.4 | 179.1 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | L113 T117 R132 F133 I135 V156 N162 V163 L166 | L113-V158 HydrophobicContact CD1-CG1 4.43Å; T117-V158 HydrophobicContact CG2-CG1 3.72Å; R132-V158 WeakPolarHBondContact CA-O 3.49Å; F133-V158 HydrophobicContact CE2-CB 4.33Å; F133-V158 HydrophobicContact CZ-CB 4.35Å; F133-V158 HydrophobicContact CZ-CG1 4.36Å; F133-V158 PolarHBondContact N-O 3.44Å; F133-V158 VanDerWaalsContact N-O 3.16Å; F133-V158 PolarHBondContact O-N 3.36Å; I135-V158 HydrophobicContact CB-CG2 3.94Å; I135-V158 HydrophobicContact CG2-CG2 3.42Å; I135-V158 VanDerWaalsContact CG2-CG2 3.42Å; V156-V158 PolarHBondContact O-N 3.27Å; V158-N162 WeakPolarHBondContact CA-OD1 3.46Å; V158-V163 HydrophobicContact CG1-CB 4.1Å; V158-V163 HydrophobicContact CG1-CG2 4.3Å; V158-L166 HydrophobicContact CG2-CD1 4.09Å; V158-L166 HydrophobicContact CG2-CD2 3.96Å |
| 159 | D | 86.5 | Confident | 86.7 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | trans | -145.1 | -174 | 169.4 | 63.6 | 35.6 | 0 | 0 | 0 | 110.8 | R132 T161 N162 V163 | R132-D159 HydrophobicContact CB-CB 4.43Å; D159-T161 PolarHBondContact O-N 3.31Å; D159-T161 WeakPolarHBondContact OD1-CA 3.29Å; D159-T161 VanDerWaalsContact OD1-CB 3.31Å; D159-T161 WeakPolarHBondContact OD1-CB 3.35Å; D159-T161 PolarHBondContact OD1-N 3.17Å; D159-T161 PolarHBondContact OD1-OG1 2.85Å; D159-N162 PolarHBondContact N-OD1 3.43Å; D159-N162 PolarHBondContact O-OD1 3.36Å; D159-N162 PolarHBondContact OD1-N 2.91Å; D159-V163 WeakPolarHBondContact O-CB 3.33Å; D159-V163 PolarHBondContact O-N 3.1Å | ||
| 160 | S | 86 | Confident | 87.7 | Confident | 53 Ų | 53 | 35.6 Ų | 35.6 | 37% | 0.371 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.5 | 179.8 | 57.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 161 | T | 88 | Confident | 88.2 | Confident | 115 Ų | 115 | 36.9 Ų | 36.9 | 71% | 0.706 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -38.6 | -177.8 | 73.6 | 0 | 0 | 0 | 0 | 112.4 | D159 | D159-T161 PolarHBondContact O-N 3.31Å; D159-T161 WeakPolarHBondContact OD1-CA 3.29Å; D159-T161 VanDerWaalsContact OD1-CB 3.31Å; D159-T161 WeakPolarHBondContact OD1-CB 3.35Å; D159-T161 PolarHBondContact OD1-N 3.17Å; D159-T161 PolarHBondContact OD1-OG1 2.85Å |
| 162 | N | 91.7 | Very high | 88.4 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -15.6 | -173.8 | 72.7 | -1 | 0 | 0 | 0 | 114.8 | A157 V158 D159 A164 Y165 L166 | A157-N162 PolarHBondContact O-ND2 3.27Å; V158-N162 WeakPolarHBondContact CA-OD1 3.46Å; D159-N162 PolarHBondContact N-OD1 3.43Å; D159-N162 PolarHBondContact O-OD1 3.36Å; D159-N162 PolarHBondContact OD1-N 2.91Å; N162-A164 PolarHBondContact O-N 2.88Å; N162-A164 VanDerWaalsContact O-N 3.13Å; N162-Y165 PolarHBondContact O-N 3.23Å; N162-L166 PolarHBondContact O-N 3.1Å; N162-L166 VanDerWaalsContact O-N 3.08Å |
| 163 | V | 91.2 | Very high | 88.5 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.1 | -34.6 | -174.8 | 65.8 | 0 | 0 | 0 | 0 | 114 | L113 L114 T117 V158 D159 L166 L167 | L113-V163 HydrophobicContact CD2-CG2 4.15Å; L113-V163 HydrophobicContact CG-CG2 3.91Å; L114-V163 HydrophobicContact CD2-CG1 4.41Å; L114-V163 HydrophobicContact CD2-CG2 4.27Å; T117-V163 HydrophobicContact CG2-CB 4.12Å; T117-V163 HydrophobicContact CG2-CG2 4.04Å; V158-V163 HydrophobicContact CG1-CB 4.1Å; V158-V163 HydrophobicContact CG1-CG2 4.3Å; D159-V163 WeakPolarHBondContact O-CB 3.33Å; D159-V163 PolarHBondContact O-N 3.1Å; V163-L166 PolarHBondContact O-N 2.77Å; V163-L167 HydrophobicContact CG2-CD1 3.96Å; V163-L167 HydrophobicContact CG2-CG 4.29Å; V163-L167 WeakPolarHBondContact O-CB 3.37Å; V163-L167 VanDerWaalsContact O-CG 3.27Å; V163-L167 WeakPolarHBondContact O-CG 3.44Å; V163-L167 PolarHBondContact O-N 2.88Å |
| 164 | A | 91 | Very high | 88.6 | Confident | 63 Ų | 63 | 42.9 Ų | 42.9 | 52% | 0.521 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.7 | -45.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | N162 I168 | N162-A164 PolarHBondContact O-N 2.88Å; N162-A164 VanDerWaalsContact O-N 3.13Å; A164-I168 WeakPolarHBondContact O-CG1 3.32Å; A164-I168 PolarHBondContact O-N 2.82Å |
| 165 | Y | 90.8 | Very high | 88.8 | Confident | 135 Ų | 135 | 48.8 Ų | 48.8 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 175.1 | 176 | -95.4 | 0 | 0 | 0 | 111.1 | N162 L167 I168 D169 | N162-Y165 PolarHBondContact O-N 3.23Å; Y165-L167 VanDerWaalsContact C-N 3.31Å; Y165-L167 PolarHBondContact O-N 2.94Å; Y165-I168 PolarHBondContact O-N 3.21Å; Y165-I168 VanDerWaalsContact O-N 3.11Å; Y165-D169 PolarHBondContact O-N 3.42Å |
| 166 | L | 91.2 | Very high | 88.9 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 179.8 | -167 | 116.3 | 0 | 0 | 0 | 112.3 | L113 I135 L153 V156 V158 N162 V163 L170 | L113-L166 HydrophobicContact CD2-CD2 3.79Å; I135-L166 HydrophobicContact CG2-CD2 4.38Å; L153-L166 HydrophobicContact CD2-CD1 3.95Å; L153-L166 HydrophobicContact CD2-CD2 4.17Å; L153-L166 HydrophobicContact CD2-CG 4.16Å; V156-L166 HydrophobicContact CG1-CD1 3.74Å; V158-L166 HydrophobicContact CG2-CD1 4.09Å; V158-L166 HydrophobicContact CG2-CD2 3.96Å; N162-L166 PolarHBondContact O-N 3.1Å; N162-L166 VanDerWaalsContact O-N 3.08Å; V163-L166 PolarHBondContact O-N 2.77Å; L166-L170 HydrophobicContact CD2-CD1 3.66Å; L166-L170 HydrophobicContact CG-CD1 4.15Å; L166-L170 VanDerWaalsContact O-CB 3.26Å; L166-L170 WeakPolarHBondContact O-CB 3.4Å; L166-L170 VanDerWaalsContact O-CG 3.28Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.3Å |
| 167 | L | 92.3 | Very high | 89 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -39 | 174.9 | -75 | 168.4 | 0 | 0 | 0 | 112.5 | Y106 F109 H110 L113 L114 V163 Y165 S171 | Y106-L167 PolarHBondContact OH-O 3.04Å; F109-L167 HydrophobicContact CE1-CD2 4.11Å; H110-L167 HydrophobicContact CB-CD2 4.29Å; L113-L167 HydrophobicContact CD2-CD2 3.9Å; L113-L167 HydrophobicContact CD2-CG 4.33Å; L114-L167 HydrophobicContact CD1-CD1 4.43Å; L114-L167 HydrophobicContact CD2-CD1 3.65Å; L114-L167 HydrophobicContact CG-CD1 3.81Å; V163-L167 HydrophobicContact CG2-CD1 3.96Å; V163-L167 HydrophobicContact CG2-CG 4.29Å; V163-L167 WeakPolarHBondContact O-CB 3.37Å; V163-L167 VanDerWaalsContact O-CG 3.27Å; V163-L167 WeakPolarHBondContact O-CG 3.44Å; V163-L167 PolarHBondContact O-N 2.88Å; Y165-L167 VanDerWaalsContact C-N 3.31Å; Y165-L167 PolarHBondContact O-N 2.94Å; L167-S171 WeakPolarHBondContact O-CB 3.44Å; L167-S171 PolarHBondContact O-N 3.48Å |
| 168 | I | 91.5 | Very high | 88.9 | Confident | 125 Ų | 125 | 48.3 Ų | 48.3 | 64% | 0.641 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | 176.3 | -66.1 | 166.4 | 0 | 0 | 0 | 110.5 | A164 Y165 S171 R172 | A164-I168 WeakPolarHBondContact O-CG1 3.32Å; A164-I168 PolarHBondContact O-N 2.82Å; Y165-I168 PolarHBondContact O-N 3.21Å; Y165-I168 VanDerWaalsContact O-N 3.11Å; I168-S171 PolarHBondContact O-N 3.17Å; I168-R172 PolarHBondContact O-N 2.79Å |
| 169 | D | 88.9 | Confident | 88.7 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 178.7 | -172 | 40.8 | 0 | 0 | 0 | 112.1 | Y165 S171 R172 R173 | Y165-D169 PolarHBondContact O-N 3.42Å; D169-S171 VanDerWaalsContact C-N 3.28Å; D169-S171 PolarHBondContact O-N 2.89Å; D169-R172 WeakPolarHBondContact O-CB 3.38Å; D169-R172 PolarHBondContact O-N 3.13Å; D169-R172 VanDerWaalsContact O-N 3.15Å; D169-R172 IonicContact OD1-CZ 3.67Å; D169-R172 IonicContact OD1-NE 3.83Å; D169-R172 PolarHBondContact OD1-NE 2.88Å; D169-R172 VanDerWaalsContact OD1-NE 3.13Å; D169-R172 IonicContact OD1-NH2 3.56Å; D169-R172 PolarHBondContact OD1-NH2 3.11Å; D169-R173 WeakPolarHBondContact O-CG 3.36Å; D169-R173 PolarHBondContact O-N 3.47Å; D169-R173 IonicContact OD1-NE 2.62Å; D169-R173 IonicContact OD2-CZ 2.67Å; D169-R173 IonicContact OD2-NE 2.72Å; D169-R173 PolarHBondContact OD2-NE 3.09Å; D169-R173 IonicContact OD2-NH2 3.42Å; D169-R173 PolarHBondContact OD2-NH2 2.87Å |
| 170 | L | 90.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 174.6 | -79.3 | 172.5 | 0 | 0 | 0 | 112.6 | Y106 F109 V137 L152 L153 L166 R172 R173 F174 | Y106-L170 HydrophobicContact CE2-CB 4.44Å; F109-L170 HydrophobicContact CE1-CD1 3.7Å; F109-L170 HydrophobicContact CZ-CD1 3.67Å; V137-L170 HydrophobicContact CB-CD2 4.31Å; V137-L170 HydrophobicContact CG2-CD1 4.18Å; V137-L170 HydrophobicContact CG2-CD2 4.3Å; L152-L170 HydrophobicContact CB-CD2 4.23Å; L153-L170 HydrophobicContact CB-CD2 3.79Å; L153-L170 HydrophobicContact CD2-CD1 4.02Å; L153-L170 HydrophobicContact CD2-CD2 4.01Å; L153-L170 HydrophobicContact CD2-CG 4.22Å; L153-L170 HydrophobicContact CG-CD2 4.44Å; L166-L170 HydrophobicContact CD2-CD1 3.66Å; L166-L170 HydrophobicContact CG-CD1 4.15Å; L166-L170 VanDerWaalsContact O-CB 3.26Å; L166-L170 WeakPolarHBondContact O-CB 3.4Å; L166-L170 VanDerWaalsContact O-CG 3.28Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.3Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R173 PolarHBondContact O-N 3.41Å; L170-F174 WeakPolarHBondContact O-CB 3.2Å; L170-F174 PolarHBondContact O-N 3.42Å |
| 171 | S | 91.4 | Very high | 88 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 176.3 | -169.7 | 0 | 0 | 0 | 0 | 111.3 | Y106 L167 I168 D169 K175 | Y106-S171 WeakPolarHBondContact OH-CA 3.25Å; Y106-S171 PolarHBondContact OH-N 2.96Å; L167-S171 WeakPolarHBondContact O-CB 3.44Å; L167-S171 PolarHBondContact O-N 3.48Å; I168-S171 PolarHBondContact O-N 3.17Å; D169-S171 VanDerWaalsContact C-N 3.28Å; D169-S171 PolarHBondContact O-N 2.89Å; S171-K175 WeakPolarHBondContact O-CB 3.5Å; S171-K175 WeakPolarHBondContact O-CD 3.43Å; S171-K175 VanDerWaalsContact O-CG 3.27Å; S171-K175 WeakPolarHBondContact O-CG 3.44Å; S171-K175 PolarHBondContact O-N 3.02Å |
| 172 | R | 89.4 | Confident | 87.6 | Confident | 99 Ų | 99 | 46.3 Ų | 46.3 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.4 | -48.7 | 174.3 | -176.4 | -173.7 | 67.7 | 115.1 | -4.3 | 111.6 | I168 D169 L170 F174 K175 A176 C1056 | I168-R172 PolarHBondContact O-N 2.79Å; D169-R172 WeakPolarHBondContact O-CB 3.38Å; D169-R172 PolarHBondContact O-N 3.13Å; D169-R172 VanDerWaalsContact O-N 3.15Å; D169-R172 IonicContact OD1-CZ 3.67Å; D169-R172 IonicContact OD1-NE 3.83Å; D169-R172 PolarHBondContact OD1-NE 2.88Å; D169-R172 VanDerWaalsContact OD1-NE 3.13Å; D169-R172 IonicContact OD1-NH2 3.56Å; D169-R172 PolarHBondContact OD1-NH2 3.11Å; L170-R172 VanDerWaalsContact C-N 3.34Å; R172-F174 PolarHBondContact O-N 2.97Å; R172-K175 PolarHBondContact O-N 3Å; R172-A176 PolarHBondContact O-N 3.37Å; R172-C1056 PolarHBondContact NH1-SG 3.14Å |
| 173 | R | 87.4 | Confident | 86.7 | Confident | 47 Ų | 47 | 47 Ų | 47 | 18% | 0.177 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 177.3 | -66.7 | -174.8 | -164.1 | -151.1 | 0.6 | 111.8 | L152 D169 L170 A176 Y177 N913 T916 | L152-R173 WeakPolarHBondContact O-CD 3.36Å; L152-R173 PolarHBondContact O-NH1 3.01Å; D169-R173 WeakPolarHBondContact O-CG 3.36Å; D169-R173 PolarHBondContact O-N 3.47Å; D169-R173 IonicContact OD1-NE 2.62Å; D169-R173 IonicContact OD2-CZ 2.67Å; D169-R173 IonicContact OD2-NE 2.72Å; D169-R173 PolarHBondContact OD2-NE 3.09Å; D169-R173 IonicContact OD2-NH2 3.42Å; D169-R173 PolarHBondContact OD2-NH2 2.87Å; L170-R173 PolarHBondContact O-N 3.41Å; R173-A176 PolarHBondContact O-N 2.7Å; R173-Y177 WeakPolarHBondContact O-CB 3.41Å; R173-Y177 PolarHBondContact O-N 3.08Å; R173-N913 PolarHBondContact NH1-OD1 3.3Å; R173-N913 PolarHBondContact NH2-OD1 2.95Å; R173-T916 PolarHBondContact NH2-OG1 2.89Å |
| 174 | F | 89.3 | Confident | 85.7 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 178.6 | -172.2 | -113 | 0 | 0 | 0 | 112.2 | L83 Y106 A139 L152 L170 R172 A176 Y177 L178 | L83-F174 HydrophobicContact CD1-CD2 4.08Å; L83-F174 HydrophobicContact CD1-CE2 3.95Å; Y106-F174 HydrophobicContact CD2-CB 3.88Å; Y106-F174 AromaticContact CD2-CD1 3.47Å; Y106-F174 HydrophobicContact CD2-CD1 3.47Å; Y106-F174 VanDerWaalsContact CD2-CD1 3.47Å; Y106-F174 HydrophobicContact CD2-CD2 4.4Å; Y106-F174 HydrophobicContact CD2-CE1 4.07Å; Y106-F174 AromaticContact CD2-CG 3.66Å; Y106-F174 HydrophobicContact CD2-CG 3.66Å; Y106-F174 HydrophobicContact CE2-CB 3.99Å; Y106-F174 HydrophobicContact CE2-CD1 4.39Å; Y106-F174 HydrophobicContact CE2-CG 4.27Å; Y106-F174 AromaticContact CG-CD1 3.82Å; Y106-F174 HydrophobicContact CG-CD1 3.82Å; Y106-F174 HydrophobicContact CG-CE1 4.16Å; Y106-F174 HydrophobicContact CG-CG 4.46Å; A139-F174 HydrophobicContact CB-CD2 4.5Å; A139-F174 HydrophobicContact CB-CE2 4.29Å; L152-F174 HydrophobicContact CD1-CB 4.29Å; L152-F174 HydrophobicContact CD1-CD2 3.87Å; L170-F174 WeakPolarHBondContact O-CB 3.2Å; L170-F174 PolarHBondContact O-N 3.42Å; R172-F174 PolarHBondContact O-N 2.97Å; F174-A176 PolarHBondContact O-N 3.35Å; F174-Y177 WeakPolarHBondContact O-CB 3.38Å; F174-Y177 PolarHBondContact O-N 2.76Å; F174-L178 HydrophobicContact CD1-CD1 3.93Å; F174-L178 HydrophobicContact CD1-CG 4.24Å; F174-L178 HydrophobicContact CE1-CD1 3.49Å; F174-L178 VanDerWaalsContact CE1-CD1 3.49Å; F174-L178 HydrophobicContact CE1-CD2 4.33Å; F174-L178 HydrophobicContact CE1-CG 3.94Å; F174-L178 HydrophobicContact CE2-CD2 4.37Å; F174-L178 HydrophobicContact CE2-CG 4.46Å; F174-L178 HydrophobicContact CZ-CD1 4.01Å; F174-L178 HydrophobicContact CZ-CD2 3.99Å; F174-L178 HydrophobicContact CZ-CG 4.07Å; F174-L178 WeakPolarHBondContact O-CG 3.47Å; F174-L178 PolarHBondContact O-N 3.5Å |
| 175 | K | 87.6 | Confident | 84.9 | Confident | 133 Ų | 133 | 45.3 Ų | 45.3 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.3 | -40.7 | 174.4 | -74.3 | 168 | -177.4 | 167.3 | 0 | 112.7 | S171 R172 L178 S179 | S171-K175 WeakPolarHBondContact O-CB 3.5Å; S171-K175 WeakPolarHBondContact O-CD 3.43Å; S171-K175 VanDerWaalsContact O-CG 3.27Å; S171-K175 WeakPolarHBondContact O-CG 3.44Å; S171-K175 PolarHBondContact O-N 3.02Å; R172-K175 PolarHBondContact O-N 3Å; K175-L178 PolarHBondContact O-N 3.03Å; K175-S179 PolarHBondContact O-N 3.4Å |
| 176 | A | 83 | Confident | 84 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 22% | 0.223 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R172 R173 F174 S179 C180 | R172-A176 PolarHBondContact O-N 3.37Å; R173-A176 PolarHBondContact O-N 2.7Å; F174-A176 PolarHBondContact O-N 3.35Å; A176-S179 WeakPolarHBondContact O-CB 3.48Å; A176-S179 PolarHBondContact O-N 3.44Å; A176-C180 PolarHBondContact O-N 2.89Å |
| 177 | Y | 85.4 | Confident | 82.6 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 173.5 | 169.8 | -86.5 | 0 | 0 | 0 | 112.3 | C85 A139 I146 Q150 L152 R173 F174 S179 C180 L181 | C85-Y177 HydrophobicContact CB-CE1 4.06Å; A139-Y177 HydrophobicContact CB-CD1 3.86Å; A139-Y177 HydrophobicContact CB-CD2 4.24Å; A139-Y177 HydrophobicContact CB-CE1 3.5Å; A139-Y177 HydrophobicContact CB-CE2 3.87Å; A139-Y177 HydrophobicContact CB-CG 4.22Å; A139-Y177 VanDerWaalsContact CB-CZ 3.49Å; A139-Y177 PolarHBondContact O-OH 3Å; I146-Y177 HydrophobicContact CB-CE2 4.42Å; I146-Y177 HydrophobicContact CD1-CE2 3.67Å; I146-Y177 WeakPolarHBondContact CD1-OH 3.28Å; I146-Y177 HydrophobicContact CG2-CD2 4.16Å; I146-Y177 HydrophobicContact CG2-CE2 4.09Å; Q150-Y177 HydrophobicContact CG-CE2 4.25Å; L152-Y177 HydrophobicContact CD2-CD2 4.3Å; L152-Y177 HydrophobicContact CD2-CG 4.2Å; R173-Y177 WeakPolarHBondContact O-CB 3.41Å; R173-Y177 PolarHBondContact O-N 3.08Å; F174-Y177 WeakPolarHBondContact O-CB 3.38Å; F174-Y177 PolarHBondContact O-N 2.76Å; Y177-S179 VanDerWaalsContact C-N 3.3Å; Y177-S179 PolarHBondContact O-N 2.88Å; Y177-C180 WeakPolarHBondContact O-CB 3.37Å; Y177-C180 PolarHBondContact O-N 3.28Å; Y177-C180 VanDerWaalsContact O-N 3.15Å; Y177-L181 HydrophobicContact CE1-CB 4.45Å; Y177-L181 HydrophobicContact CE1-CD2 4.1Å; Y177-L181 WeakPolarHBondContact O-CB 3.42Å; Y177-L181 PolarHBondContact O-N 3.27Å |
| 178 | L | 85.8 | Confident | 81.4 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.7 | -36.2 | 177.4 | -71.6 | -174.7 | 0 | 0 | 0 | 112.3 | L102 F174 K175 L181 A182 | L102-L178 HydrophobicContact CD1-CD2 4.09Å; L102-L178 HydrophobicContact CD2-CD2 4.03Å; F174-L178 HydrophobicContact CD1-CD1 3.93Å; F174-L178 HydrophobicContact CD1-CG 4.24Å; F174-L178 HydrophobicContact CE1-CD1 3.49Å; F174-L178 VanDerWaalsContact CE1-CD1 3.49Å; F174-L178 HydrophobicContact CE1-CD2 4.33Å; F174-L178 HydrophobicContact CE1-CG 3.94Å; F174-L178 HydrophobicContact CE2-CD2 4.37Å; F174-L178 HydrophobicContact CE2-CG 4.46Å; F174-L178 HydrophobicContact CZ-CD1 4.01Å; F174-L178 HydrophobicContact CZ-CD2 3.99Å; F174-L178 HydrophobicContact CZ-CG 4.07Å; F174-L178 WeakPolarHBondContact O-CG 3.47Å; F174-L178 PolarHBondContact O-N 3.5Å; K175-L178 PolarHBondContact O-N 3.03Å; L178-L181 HydrophobicContact CD2-CD2 4.16Å; L178-L181 PolarHBondContact O-N 2.82Å; L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.01Å |
| 179 | S | 83.7 | Confident | 80.2 | Confident | 73 Ų | 73 | 43.1 Ų | 43.1 | 51% | 0.51 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 173.6 | -168.6 | 0 | 0 | 0 | 0 | 112 | K175 A176 Y177 E183 | K175-S179 PolarHBondContact O-N 3.4Å; A176-S179 WeakPolarHBondContact O-CB 3.48Å; A176-S179 PolarHBondContact O-N 3.44Å; Y177-S179 VanDerWaalsContact C-N 3.3Å; Y177-S179 PolarHBondContact O-N 2.88Å; S179-E183 PolarHBondContact O-N 3.27Å |
| 180 | C | 77.9 | Confident | 78.9 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 12% | 0.122 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | 173.8 | -69.4 | 0 | 0 | 0 | 0 | 111.7 | I146 P147 A176 Y177 A182 E183 V184 | I146-C180 HydrophobicContact CG2-CB 3.72Å; P147-C180 PolarHBondContact O-SG 3.49Å; P147-C180 VanDerWaalsContact O-SG 3.4Å; A176-C180 PolarHBondContact O-N 2.89Å; Y177-C180 WeakPolarHBondContact O-CB 3.37Å; Y177-C180 PolarHBondContact O-N 3.28Å; Y177-C180 VanDerWaalsContact O-N 3.15Å; C180-A182 VanDerWaalsContact C-N 3.35Å; C180-A182 PolarHBondContact O-N 3.35Å; C180-E183 PolarHBondContact O-N 3.28Å; C180-V184 WeakPolarHBondContact O-CG2 3.47Å; C180-V184 PolarHBondContact O-N 3.4Å |
| 181 | L | 80.4 | Confident | 77.2 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 177 | 176.9 | 65.2 | 0 | 0 | 0 | 111.5 | C85 S141 L143 I146 Y177 L178 V184 A185 | C85-L181 HydrophobicContact CB-CD2 4.08Å; S141-L181 WeakPolarHBondContact OG-CD1 3.45Å; L143-L181 HydrophobicContact CB-CD1 4.47Å; L143-L181 HydrophobicContact CD1-CD1 3.95Å; L143-L181 HydrophobicContact CG-CD1 4.47Å; I146-L181 HydrophobicContact CD1-CB 4.47Å; I146-L181 HydrophobicContact CD1-CD1 3.71Å; I146-L181 HydrophobicContact CG1-CD1 4.45Å; Y177-L181 HydrophobicContact CE1-CB 4.45Å; Y177-L181 HydrophobicContact CE1-CD2 4.1Å; Y177-L181 WeakPolarHBondContact O-CB 3.42Å; Y177-L181 PolarHBondContact O-N 3.27Å; L178-L181 HydrophobicContact CD2-CD2 4.16Å; L178-L181 PolarHBondContact O-N 2.82Å; L181-V184 PolarHBondContact O-N 3.14Å; L181-A185 VanDerWaalsContact O-CB 3.24Å; L181-A185 WeakPolarHBondContact O-CB 3.08Å; L181-A185 PolarHBondContact O-N 2.91Å |
| 182 | A | 79.3 | Confident | 75.7 | Confident | 56 Ų | 56 | 47 Ų | 47 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L178 C180 K186 | L178-A182 WeakPolarHBondContact O-CB 3.47Å; L178-A182 PolarHBondContact O-N 3.01Å; C180-A182 VanDerWaalsContact C-N 3.35Å; C180-A182 PolarHBondContact O-N 3.35Å; A182-K186 WeakPolarHBondContact O-CB 3.46Å; A182-K186 PolarHBondContact O-N 3.48Å |
| 183 | E | 72.2 | Confident | 74.4 | Confident | 65 Ų | 65 | 45.8 Ų | 45.8 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 175.1 | -71.4 | -60.7 | 138.3 | 0 | 0 | 111.6 | S179 C180 A185 K186 C187 | S179-E183 PolarHBondContact O-N 3.27Å; C180-E183 PolarHBondContact O-N 3.28Å; E183-A185 PolarHBondContact O-N 3.15Å; E183-K186 VanDerWaalsContact CD-NZ 3.31Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 2.88Å; E183-K186 IonicContact OE1-NZ 3.94Å; E183-K186 PolarHBondContact OE1-NZ 3.32Å; E183-K186 IonicContact OE2-NZ 3.66Å; E183-K186 PolarHBondContact OE2-NZ 3.45Å; E183-C187 PolarHBondContact O-N 3.3Å; E183-C187 PolarHBondContact O-SG 2.91Å |
| 184 | V | 70.6 | Confident | 72.8 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 112 | L143 C180 L181 C187 K188 V1129 | L143-V184 HydrophobicContact CB-CG1 4.45Å; L143-V184 HydrophobicContact CD1-CG1 4.17Å; C180-V184 WeakPolarHBondContact O-CG2 3.47Å; C180-V184 PolarHBondContact O-N 3.4Å; L181-V184 PolarHBondContact O-N 3.14Å; V184-C187 WeakPolarHBondContact O-CB 3.41Å; V184-C187 PolarHBondContact O-N 3.27Å; V184-K188 PolarHBondContact O-N 3.19Å; V184-V1129 HydrophobicContact CG2-CG2 4.29Å |
| 185 | A | 73.8 | Confident | 71.1 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L143 L181 E183 C187 K188 L189 | L143-A185 HydrophobicContact CD1-CB 3.8Å; L181-A185 VanDerWaalsContact O-CB 3.24Å; L181-A185 WeakPolarHBondContact O-CB 3.08Å; L181-A185 PolarHBondContact O-N 2.91Å; E183-A185 PolarHBondContact O-N 3.15Å; A185-C187 VanDerWaalsContact C-N 3.33Å; A185-K188 PolarHBondContact O-N 2.94Å; A185-L189 WeakPolarHBondContact O-CB 3.34Å; A185-L189 PolarHBondContact O-N 2.79Å |
| 186 | K | 71.1 | Confident | 69.6 | Low | 92 Ų | 92 | 48.6 Ų | 48.6 | 40% | 0.4 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 173.5 | 176 | -163.9 | 174.2 | -165.4 | 0 | 111.7 | A182 E183 K190 I226 | A182-K186 WeakPolarHBondContact O-CB 3.46Å; A182-K186 PolarHBondContact O-N 3.48Å; E183-K186 VanDerWaalsContact CD-NZ 3.31Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 2.88Å; E183-K186 IonicContact OE1-NZ 3.94Å; E183-K186 PolarHBondContact OE1-NZ 3.32Å; E183-K186 IonicContact OE2-NZ 3.66Å; E183-K186 PolarHBondContact OE2-NZ 3.45Å; K186-K190 PolarHBondContact O-N 3.26Å; K186-I226 HydrophobicContact CD-CD1 4.39Å; K186-I226 HydrophobicContact CG-CD1 3.84Å; K186-I226 WeakPolarHBondContact O-CD1 3.37Å |
| 187 | C | 63.7 | Low | 68.3 | Low | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -56.1 | 171.4 | -65.5 | 0 | 0 | 0 | 0 | 111.2 | E183 V184 A185 L189 K190 C191 I226 | E183-C187 PolarHBondContact O-N 3.3Å; E183-C187 PolarHBondContact O-SG 2.91Å; V184-C187 WeakPolarHBondContact O-CB 3.41Å; V184-C187 PolarHBondContact O-N 3.27Å; A185-C187 VanDerWaalsContact C-N 3.33Å; C187-L189 VanDerWaalsContact C-N 3.3Å; C187-L189 PolarHBondContact O-N 3.09Å; C187-K190 PolarHBondContact O-N 3.15Å; C187-C191 PolarHBondContact O-N 3.5Å; C187-C191 VanDerWaalsContact O-N 3.15Å; C187-C191 PolarHBondContact O-SG 3.03Å; C187-C191 VanDerWaalsContact O-SG 3.37Å; C187-I226 HydrophobicContact CB-CD1 4.49Å; C187-I226 HydrophobicContact CB-CG2 3.76Å |
| 188 | K | 65.9 | Low | 66.7 | Low | 27 Ų | 27 | 55.4 Ų | 55.4 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -51.5 | -48.3 | 177 | 178 | -175.3 | -179 | -166.2 | 0 | 111.9 | L143 V184 A185 K190 C191 D192 V258 E263 | L143-K188 HydrophobicContact CD2-CD 3.65Å; V184-K188 PolarHBondContact O-N 3.19Å; A185-K188 PolarHBondContact O-N 2.94Å; K188-K190 VanDerWaalsContact C-N 3.34Å; K188-K190 PolarHBondContact O-N 3.5Å; K188-C191 CarbonylContact O-C 3.58Å; K188-C191 WeakPolarHBondContact O-CA 3.27Å; K188-C191 WeakPolarHBondContact O-CB 3.37Å; K188-C191 PolarHBondContact O-N 3.48Å; K188-D192 VanDerWaalsContact CE-OD2 3.28Å; K188-D192 WeakPolarHBondContact CE-OD2 3.25Å; K188-D192 PolarHBondContact O-N 2.83Å; K188-V258 HydrophobicContact CD-CG1 4Å; K188-V258 HydrophobicContact CG-CG1 4.33Å; K188-V258 HydrophobicContact CG-CG2 4.18Å; K188-E263 IonicContact NZ-OE1 2.74Å |
| 189 | L | 66 | Low | 65 | Low | 112 Ų | 112 | 56.5 Ų | 56.5 | 59% | 0.586 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67.2 | -33.3 | -173.5 | -161.8 | 147.6 | 0 | 0 | 0 | 112.4 | A185 C187 V193 | A185-L189 WeakPolarHBondContact O-CB 3.34Å; A185-L189 PolarHBondContact O-N 2.79Å; C187-L189 VanDerWaalsContact C-N 3.3Å; C187-L189 PolarHBondContact O-N 3.09Å; L189-V193 HydrophobicContact CD2-CG2 4.44Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 3.04Å |
| 190 | K | 61.4 | Low | 63.7 | Low | 73 Ų | 73 | 58.9 Ų | 58.9 | 32% | 0.317 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 168.8 | -73.8 | -155.3 | -167 | 178.4 | 0 | 112.1 | K186 C187 K188 L194 I226 | K186-K190 PolarHBondContact O-N 3.26Å; C187-K190 PolarHBondContact O-N 3.15Å; K188-K190 VanDerWaalsContact C-N 3.34Å; K188-K190 PolarHBondContact O-N 3.5Å; K190-L194 VanDerWaalsContact O-CG 3.3Å; K190-L194 WeakPolarHBondContact O-CG 3.43Å; K190-L194 PolarHBondContact O-N 3.48Å; K190-L194 VanDerWaalsContact O-N 3.11Å; K190-I226 HydrophobicContact CB-CD1 4.26Å; K190-I226 HydrophobicContact CB-CG2 4.47Å; K190-I226 HydrophobicContact CD-CB 4.27Å; K190-I226 HydrophobicContact CD-CD1 3.52Å; K190-I226 HydrophobicContact CD-CG1 4.06Å; K190-I226 HydrophobicContact CG-CD1 3.78Å |
| 191 | C | 55.6 | Low | 62.3 | Low | 6 Ų | 6 | 68.1 Ų | 68.1 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 177 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | C187 K188 V193 L194 Q195 E228 L230 | C187-C191 PolarHBondContact O-N 3.5Å; C187-C191 VanDerWaalsContact O-N 3.15Å; C187-C191 PolarHBondContact O-SG 3.03Å; C187-C191 VanDerWaalsContact O-SG 3.37Å; K188-C191 CarbonylContact O-C 3.58Å; K188-C191 WeakPolarHBondContact O-CA 3.27Å; K188-C191 WeakPolarHBondContact O-CB 3.37Å; K188-C191 PolarHBondContact O-N 3.48Å; C191-V193 PolarHBondContact O-N 3.44Å; C191-L194 PolarHBondContact O-N 2.89Å; C191-Q195 PolarHBondContact O-N 2.84Å; C191-E228 PolarHBondContact SG-O 2.66Å; C191-L230 HydrophobicContact CB-CD1 4.31Å; C191-L230 HydrophobicContact CB-CD2 4.15Å; C191-L230 HydrophobicContact CB-CG 3.92Å |
| 192 | D | 60.1 | Low | 60.9 | Low | 53 Ų | 53 | 70.8 Ų | 70.8 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 179.9 | -69.2 | -19.6 | 0 | 0 | 0 | 110.8 | K188 Q195 E196 | K188-D192 VanDerWaalsContact CE-OD2 3.28Å; K188-D192 WeakPolarHBondContact CE-OD2 3.25Å; K188-D192 PolarHBondContact O-N 2.83Å; D192-Q195 WeakPolarHBondContact O-CB 3.4Å; D192-Q195 PolarHBondContact O-N 3.12Å; D192-E196 PolarHBondContact O-N 2.99Å |
| 193 | V | 61.9 | Low | 59.3 | Low | 72 Ų | 72 | 73.8 Ų | 73.8 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.2 | 172 | 0 | 0 | 0 | 0 | 112.2 | L189 C191 Q195 E196 D197 | L189-V193 HydrophobicContact CD2-CG2 4.44Å; L189-V193 WeakPolarHBondContact O-CG2 3.47Å; L189-V193 PolarHBondContact O-N 3.04Å; C191-V193 PolarHBondContact O-N 3.44Å; V193-Q195 VanDerWaalsContact C-N 3.25Å; V193-Q195 PolarHBondContact O-N 3.1Å; V193-E196 PolarHBondContact O-N 2.99Å; V193-D197 PolarHBondContact O-N 2.79Å |
| 194 | L | 53.7 | Low | 57.8 | Low | 55 Ų | 55 | 74.3 Ų | 74.3 | 29% | 0.288 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.2 | -34.1 | 175.8 | -73.5 | 169.5 | 0 | 0 | 0 | 111.9 | K190 C191 L198 L230 | K190-L194 VanDerWaalsContact O-CG 3.3Å; K190-L194 WeakPolarHBondContact O-CG 3.43Å; K190-L194 PolarHBondContact O-N 3.48Å; K190-L194 VanDerWaalsContact O-N 3.11Å; C191-L194 PolarHBondContact O-N 2.89Å; L194-L198 WeakPolarHBondContact O-CB 3.17Å; L194-L198 WeakPolarHBondContact O-CD1 3.3Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 2.74Å; L194-L198 VanDerWaalsContact O-N 3.11Å; L194-L230 HydrophobicContact CB-CD1 3.75Å; L194-L230 HydrophobicContact CD1-CD1 4.43Å |
| 195 | Q | 53.4 | Low | 56.3 | Low | 62 Ų | 62 | 78.7 Ų | 78.7 | 29% | 0.29 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 175.7 | -124.4 | 176 | 13.3 | 0 | 0 | 112 | C191 D192 V193 S199 L230 R255 | C191-Q195 PolarHBondContact O-N 2.84Å; D192-Q195 WeakPolarHBondContact O-CB 3.4Å; D192-Q195 PolarHBondContact O-N 3.12Å; V193-Q195 VanDerWaalsContact C-N 3.25Å; V193-Q195 PolarHBondContact O-N 3.1Å; Q195-S199 WeakPolarHBondContact O-CB 3.38Å; Q195-S199 PolarHBondContact O-N 2.95Å; Q195-L230 HydrophobicContact CB-CD2 4.17Å; Q195-L230 VanDerWaalsContact CD-CD2 3.43Å; Q195-L230 HydrophobicContact CG-CD2 3.59Å; Q195-R255 PolarHBondContact NE2-O 3.24Å |
| 196 | E | 56.9 | Low | 54.5 | Low | 129 Ų | 129 | 85.5 Ų | 85.5 | 60% | 0.603 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.5 | -49.1 | 174.8 | -72 | -171.8 | 166.2 | 0 | 0 | 111.9 | D192 V193 L198 S199 I200 | D192-E196 PolarHBondContact O-N 2.99Å; V193-E196 PolarHBondContact O-N 2.99Å; E196-L198 VanDerWaalsContact C-N 3.31Å; E196-L198 PolarHBondContact O-N 3.07Å; E196-S199 WeakPolarHBondContact O-CB 3.37Å; E196-S199 PolarHBondContact O-N 3.4Å; E196-S199 PolarHBondContact O-OG 2.77Å; E196-I200 WeakPolarHBondContact O-CG1 3.26Å; E196-I200 PolarHBondContact O-N 2.97Å |
| 197 | D | 56.2 | Low | 53 | Low | 91 Ų | 91 | 85.8 Ų | 85.8 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 177.8 | -85.3 | -25.7 | 0 | 0 | 0 | 112.7 | V193 R201 | V193-D197 PolarHBondContact O-N 2.79Å; D197-R201 WeakPolarHBondContact O-CG 3.44Å; D197-R201 PolarHBondContact O-N 3.21Å |
| 198 | L | 51.8 | Low | 51.7 | Low | 86 Ų | 86 | 93 Ų | 93 | 45% | 0.45 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69 | -35.7 | 175.1 | -73.8 | 169.5 | 0 | 0 | 0 | 112.3 | L194 E196 S202 | L194-L198 WeakPolarHBondContact O-CB 3.17Å; L194-L198 WeakPolarHBondContact O-CD1 3.3Å; L194-L198 WeakPolarHBondContact O-CG 3.45Å; L194-L198 PolarHBondContact O-N 2.74Å; L194-L198 VanDerWaalsContact O-N 3.11Å; E196-L198 VanDerWaalsContact C-N 3.31Å; E196-L198 PolarHBondContact O-N 3.07Å; L198-S202 PolarHBondContact O-N 3.01Å; L198-S202 PolarHBondContact O-OG 3.32Å |
| 199 | S | 49.6 | Very low | 50.4 | Low | 59 Ų | 59 | 94.3 Ų | 94.3 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -47.5 | 176.1 | 79.4 | 0 | 0 | 0 | 0 | 111.2 | Q195 E196 R201 S202 | Q195-S199 WeakPolarHBondContact O-CB 3.38Å; Q195-S199 PolarHBondContact O-N 2.95Å; E196-S199 WeakPolarHBondContact O-CB 3.37Å; E196-S199 PolarHBondContact O-N 3.4Å; E196-S199 PolarHBondContact O-OG 2.77Å; S199-R201 VanDerWaalsContact C-N 3.33Å; S199-R201 PolarHBondContact O-N 3.05Å; S199-S202 PolarHBondContact O-N 3.22Å; S199-S202 PolarHBondContact O-OG 2.84Å |
| 200 | I | 57.1 | Low | 48.9 | Very low | 123 Ų | 123 | 95.1 Ų | 95.1 | 63% | 0.631 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.9 | -41.5 | -179.6 | -66.6 | 165.1 | 0 | 0 | 0 | 110.8 | E196 S202 | E196-I200 WeakPolarHBondContact O-CG1 3.26Å; E196-I200 PolarHBondContact O-N 2.97Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 3.47Å |
| 201 | R | 48.6 | Very low | 47.5 | Very low | 213 Ų | 213 | 99.3 Ų | 99.3 | 80% | 0.804 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.2 | -26.2 | 176.1 | -73.5 | -177.3 | -178.8 | -159.8 | 2.4 | 113.9 | D197 S199 | D197-R201 WeakPolarHBondContact O-CG 3.44Å; D197-R201 PolarHBondContact O-N 3.21Å; S199-R201 VanDerWaalsContact C-N 3.33Å; S199-R201 PolarHBondContact O-N 3.05Å |
| 202 | S | 49.2 | Very low | 46.4 | Very low | 64 Ų | 64 | 103.5 Ų | 103.5 | 45% | 0.448 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -82.7 | -8.4 | -178 | 66.4 | 0 | 0 | 0 | 0 | 115.3 | L198 S199 I200 | L198-S202 PolarHBondContact O-N 3.01Å; L198-S202 PolarHBondContact O-OG 3.32Å; S199-S202 PolarHBondContact O-N 3.22Å; S199-S202 PolarHBondContact O-OG 2.84Å; I200-S202 VanDerWaalsContact C-N 3.3Å; I200-S202 PolarHBondContact O-N 3.47Å |
| 203 | V | 47.1 | Very low | 45.1 | Very low | 118 Ų | 118 | 107.6 Ų | 107.6 | 72% | 0.715 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 14.4 | -175 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | P205 | V203-P205 WeakPolarHBondContact O-CD 3.49Š|
| 204 | S | 40.3 | Very low | 43.8 | Very low | 76 Ų | 76 | 111.8 Ų | 111.8 | 53% | 0.531 | 64% | 0.64 | S | S | . | * | trans | -111.9 | 71.8 | 177.8 | -178.2 | 0 | 0 | 0 | 0 | 114.2 | N206 | S204-N206 VanDerWaalsContact C-N 3.29Å; S204-N206 PolarHBondContact O-N 3.42Å | ||
| 205 | P | 38.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 115.4 Ų | 115.4 | 72% | 0.721 | 66% | 0.66 | S | S | * | * | trans | -77.6 | 79.4 | 169.3 | 34.3 | -33.2 | 0 | 0 | 0 | 109.8 | V203 | V203-P205 WeakPolarHBondContact O-CD 3.49Š| ||
| 206 | N | 35.6 | Very low | 42 | Very low | 165 Ų | 165 | 118.5 Ų | 118.5 | 88% | 0.882 | 68% | 0.683 | S | S | * | * | trans | 162.4 | 76.4 | 156.6 | -84.8 | -31.7 | 0 | 0 | 0 | 111.5 | S204 | S204-N206 VanDerWaalsContact C-N 3.29Å; S204-N206 PolarHBondContact O-N 3.42Å | ||
| 207 | S | 41 | Very low | 40.8 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | -148.3 | 92 | 157.7 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | G209 | S207-G209 VanDerWaalsContact C-N 3.25Å; S207-G209 PolarHBondContact O-N 2.65Å | ||
| 208 | T | 35.1 | Very low | 39.5 | Very low | 161 Ų | 161 | 117.7 Ų | 117.7 | 99% | 0.988 | 69% | 0.694 | S | S | * | * | trans | -73.8 | 78.7 | 167.3 | 35.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 209 | G | 38.7 | Very low | 38.5 | Very low | 55 Ų | 55 | 121 Ų | 121 | 57% | 0.567 | 71% | 0.705 | S | S | * | * | trans | -139.1 | 106.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | S207 L211 | S207-G209 VanDerWaalsContact C-N 3.25Å; S207-G209 PolarHBondContact O-N 2.65Å; G209-L211 PolarHBondContact O-N 3.46Å | ||
| 210 | S | 35.8 | Very low | 37.7 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 90% | 0.902 | 71% | 0.709 | S | S | * | * | trans | -68.5 | 123 | 170.4 | 46 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 211 | L | 31.3 | Very low | 36.5 | Very low | 160 Ų | 160 | 121.9 Ų | 121.9 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -121.8 | 154.5 | 165.8 | -96 | 99.8 | 0 | 0 | 0 | 111.1 | G209 | G209-L211 PolarHBondContact O-N 3.46Š| ||
| 212 | P | 32.4 | Very low | 35.7 | Very low | 94 Ų | 94 | 119.5 Ų | 119.5 | 61% | 0.61 | 71% | 0.713 | S | S | * | * | trans | -85.4 | 149.6 | -157.4 | 33 | -35.4 | 0 | 0 | 0 | 114.4 | Q214 | P212-Q214 PolarHBondContact O-N 2.88Š| ||
| 213 | T | 33.4 | Very low | 34.9 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 46.2 | -174.3 | 38.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 214 | Q | 35.3 | Very low | 34.3 | Very low | 160 Ų | 160 | 117.3 Ų | 117.3 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -25.7 | 180 | -86.9 | -178.7 | -27.7 | 0 | 0 | 116.7 | P212 | P212-Q214 PolarHBondContact O-N 2.88Š|
| 215 | D | 31.2 | Very low | 33.7 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -87.2 | -8.3 | -175.9 | -66.7 | -38.2 | 0 | 0 | 0 | 114.9 | V217 S218 | D215-V217 VanDerWaalsContact C-N 3.3Å; D215-V217 PolarHBondContact O-N 2.81Å; D215-S218 PolarHBondContact O-OG 2.99Å |
| 216 | V | 36.6 | Very low | 33.5 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -75.2 | -19 | 178.6 | -177 | 0 | 0 | 0 | 0 | 112.6 | S218 | V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 3.47Å |
| 217 | V | 32.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 109.1 Ų | 109.1 | 67% | 0.673 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -76.8 | -18.6 | -173.3 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | D215 | D215-V217 VanDerWaalsContact C-N 3.3Å; D215-V217 PolarHBondContact O-N 2.81Å |
| 218 | S | 29.7 | Very low | 33.2 | Very low | 93 Ų | 93 | 105.7 Ų | 105.7 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -83.5 | -14.3 | -173.8 | 63.2 | 0 | 0 | 0 | 0 | 115.6 | D215 V216 | D215-S218 PolarHBondContact O-OG 2.99Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 3.47Å |
| 219 | F | 30.9 | Very low | 33.2 | Very low | 155 Ų | 155 | 99.3 Ų | 99.3 | 68% | 0.68 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -100 | -9.4 | 179.9 | -87.2 | -91.3 | 0 | 0 | 0 | 114.2 | L223 | F219-L223 WeakPolarHBondContact O-CD1 3.29Å; F219-L223 WeakPolarHBondContact O-CG 3.34Å |
| 220 | A | 31.4 | Very low | 32.9 | Very low | 61 Ų | 61 | 97.6 Ų | 97.6 | 50% | 0.504 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -70.1 | -32.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L223 | A220-L223 PolarHBondContact O-N 3.24Š|
| 221 | D | 32.5 | Very low | 32.8 | Very low | 140 Ų | 140 | 92 Ų | 92 | 75% | 0.749 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -71.4 | -33.4 | -173.1 | -81.3 | -26.4 | 0 | 0 | 0 | 113.8 | L223 S224 | D221-L223 VanDerWaalsContact C-N 3.34Å; D221-S224 PolarHBondContact O-OG 3.38Å |
| 222 | E | 31.5 | Very low | 32.9 | Very low | 163 Ų | 163 | 91.9 Ų | 91.9 | 76% | 0.762 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -81.7 | -9 | 178.2 | -71.2 | -162.5 | 153.8 | 0 | 0 | 114.2 | ||
| 223 | L | 33.6 | Very low | 32.6 | Very low | 77 Ų | 77 | 89.4 Ų | 89.4 | 40% | 0.403 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -83.9 | -11.3 | -179.5 | -73.2 | 168.6 | 0 | 0 | 0 | 113.7 | F219 A220 D221 L225 | F219-L223 WeakPolarHBondContact O-CD1 3.29Å; F219-L223 WeakPolarHBondContact O-CG 3.34Å; A220-L223 PolarHBondContact O-N 3.24Å; D221-L223 VanDerWaalsContact C-N 3.34Å; L223-L225 PolarHBondContact O-N 3.29Å |
| 224 | S | 32.8 | Very low | 32.3 | Very low | 59 Ų | 59 | 87.9 Ų | 87.9 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 6.5 | -177.4 | 57 | 0 | 0 | 0 | 0 | 117.3 | D221 | D221-S224 PolarHBondContact O-OG 3.38Š|
| 225 | L | 28.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 90 Ų | 90 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.1 | -5 | -166.5 | -87.9 | 158.7 | 0 | 0 | 0 | 115.8 | L223 | L223-L225 PolarHBondContact O-N 3.29Š|
| 226 | I | 33.2 | Very low | 32.1 | Very low | 26 Ų | 26 | 92.9 Ų | 92.9 | 13% | 0.133 | 50% | 0.495 | C | S | . | . | trans | -139.6 | 99.7 | -178.8 | -64 | -162.6 | 0 | 0 | 0 | 111.2 | K186 C187 K190 | K186-I226 HydrophobicContact CD-CD1 4.39Å; K186-I226 HydrophobicContact CG-CD1 3.84Å; K186-I226 WeakPolarHBondContact O-CD1 3.37Å; C187-I226 HydrophobicContact CB-CD1 4.49Å; C187-I226 HydrophobicContact CB-CG2 3.76Å; K190-I226 HydrophobicContact CB-CD1 4.26Å; K190-I226 HydrophobicContact CB-CG2 4.47Å; K190-I226 HydrophobicContact CD-CB 4.27Å; K190-I226 HydrophobicContact CD-CD1 3.52Å; K190-I226 HydrophobicContact CD-CG1 4.06Å; K190-I226 HydrophobicContact CG-CD1 3.78Å | ||
| 227 | P | 33.6 | Very low | 31.6 | Very low | 35 Ų | 35 | 96 Ų | 96 | 23% | 0.227 | 50% | 0.501 | C | S | . | . | trans | -91.5 | 168.7 | 164.8 | 37.8 | -33.1 | 0 | 0 | 0 | 111.5 | R877 | P227-R877 HydrophobicContact CB-CG 4.35Š| ||
| 228 | E | 37.7 | Very low | 31.6 | Very low | 26 Ų | 26 | 98.8 Ų | 98.8 | 12% | 0.121 | 51% | 0.512 | C | S | . | . | trans | 79.8 | 139.8 | 176.6 | -53.8 | 152.1 | -144.1 | 0 | 0 | 115.7 | C191 L768 P770 V1129 | C191-E228 PolarHBondContact SG-O 2.66Å; E228-L768 HydrophobicContact CG-CB 3.99Å; E228-P770 WeakPolarHBondContact OE2-CD 3.5Å; E228-V1129 WeakPolarHBondContact OE2-CG1 3.39Å | ||
| 229 | L | 34.8 | Very low | 31.5 | Very low | 27 Ų | 27 | 102.9 Ų | 102.9 | 14% | 0.141 | 52% | 0.521 | C | S | . | . | trans | 106.2 | 6 | 159.5 | -57.2 | 162.5 | 0 | 0 | 0 | 121.2 | V258 | L229-V258 HydrophobicContact CB-CG2 3.8Å; L229-V258 HydrophobicContact CD1-CG2 3.47Å; L229-V258 VanDerWaalsContact CD1-CG2 3.47Å; L229-V258 HydrophobicContact CD2-CG2 3.77Å; L229-V258 HydrophobicContact CG-CG2 3.85Å | ||
| 230 | L | 32 | Very low | 31.6 | Very low | 19 Ų | 19 | 106.8 Ų | 106.8 | 10% | 0.099 | 53% | 0.531 | C | S | . | . | trans | -122.7 | 137.7 | 168 | -68.7 | -177.7 | 0 | 0 | 0 | 112.5 | C191 L194 Q195 S880 | C191-L230 HydrophobicContact CB-CD1 4.31Å; C191-L230 HydrophobicContact CB-CD2 4.15Å; C191-L230 HydrophobicContact CB-CG 3.92Å; L194-L230 HydrophobicContact CB-CD1 3.75Å; L194-L230 HydrophobicContact CD1-CD1 4.43Å; Q195-L230 HydrophobicContact CB-CD2 4.17Å; Q195-L230 VanDerWaalsContact CD-CD2 3.43Å; Q195-L230 HydrophobicContact CG-CD2 3.59Å; L230-S880 WeakPolarHBondContact CB-O 3.27Å | ||
| 231 | G | 33.2 | Very low | 31.4 | Very low | 11 Ų | 11 | 109.2 Ų | 109.2 | 11% | 0.113 | 54% | 0.544 | C | S | . | . | trans | -156.9 | 131.5 | 179 | 0 | 0 | 0 | 0 | 0 | 108.6 | L257 | G231-L257 VanDerWaalsContact N-CD1 3.27Š| ||
| 232 | R | 33.1 | Very low | 31.4 | Very low | 158 Ų | 158 | 107.3 Ų | 107.3 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | trans | -141 | 104.1 | -178.4 | 178.4 | -177.8 | 176 | 164.7 | 1.9 | 109 | S234 E883 | R232-S234 PolarHBondContact O-N 3.35Å; R232-E883 VanDerWaalsContact C-OE1 3.28Å; R232-E883 WeakPolarHBondContact CA-OE1 3.45Å; R232-E883 PolarHBondContact N-OE1 2.72Å; R232-E883 VanDerWaalsContact N-OE1 3.12Å | ||
| 233 | S | 27.3 | Very low | 31.3 | Very low | 42 Ų | 42 | 104 Ų | 104 | 29% | 0.294 | 54% | 0.542 | S | S | . | . | trans | -59 | 120.3 | 168.7 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | R255 E883 | S233-R255 PolarHBondContact OG-NH1 2.64Å; S233-E883 WeakPolarHBondContact CA-OE2 3.28Å; S233-E883 VanDerWaalsContact N-CD 3.35Å; S233-E883 PolarHBondContact N-OE1 3.12Å | ||
| 234 | S | 26.3 | Very low | 31.2 | Very low | 106 Ų | 106 | 108 Ų | 108 | 74% | 0.741 | 56% | 0.563 | S | S | * | * | trans | -108.6 | 108.3 | 164.3 | 54.9 | 0 | 0 | 0 | 0 | 109.2 | R232 | R232-S234 PolarHBondContact O-N 3.35Š| ||
| 235 | Y | 30.9 | Very low | 31.1 | Very low | 206 Ų | 206 | 109.9 Ų | 109.9 | 81% | 0.808 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 118.1 | 159.2 | -69 | -77.5 | 0 | 0 | 0 | 107.1 | ||
| 236 | E | 31.1 | Very low | 31.1 | Very low | 191 Ų | 191 | 113.4 Ų | 113.4 | 89% | 0.893 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 148.9 | 161.5 | -70 | -170.9 | 146.8 | 0 | 0 | 109 | ||
| 237 | E | 26.8 | Very low | 30.8 | Very low | 193 Ų | 193 | 116.7 Ų | 116.7 | 90% | 0.902 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 133.2 | -173.5 | -59.3 | 172.6 | 133.6 | 0 | 0 | 110.7 | ||
| 238 | D | 31.6 | Very low | 30.4 | Very low | 169 Ų | 169 | 119.5 Ų | 119.5 | 90% | 0.904 | 65% | 0.647 | S | S | * | * | trans | -117.2 | 117.1 | 163.5 | -132.8 | -14.9 | 0 | 0 | 0 | 108.6 | ||||
| 239 | E | 27.8 | Very low | 29.9 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 83% | 0.832 | 68% | 0.684 | S | S | * | * | trans | -72.5 | 128 | -170.6 | -60.1 | -179.1 | 124.2 | 0 | 0 | 112.4 | ||||
| 240 | R | 33.1 | Very low | 29.4 | Very low | 238 Ų | 238 | 129.3 Ų | 129.3 | 90% | 0.898 | 71% | 0.712 | S | S | * | * | trans | -171.8 | 83.8 | 143.3 | -101.5 | 149.7 | -159.2 | -152.9 | 7.3 | 115.2 | ||||
| 241 | S | 28.7 | Very low | 29.3 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | 36.9 | 128.2 | 133.8 | 59.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 242 | A | 31.2 | Very low | 28.9 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | 88.3 | 136.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 243 | S | 30.1 | Very low | 28.6 | Very low | 92 Ų | 92 | 141.8 Ų | 141.8 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | cis | -174.6 | 142.4 | -12 | 51 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 244 | I | 32 | Very low | 28.8 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | 64.9 | 133.6 | 157.8 | -56.6 | 153.7 | 0 | 0 | 0 | 114.7 | ||||
| 245 | S | 29.1 | Very low | 28.9 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | cis | -164.3 | 178.3 | -10 | 52.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 246 | E | 30.3 | Very low | 29 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | cis | -147.4 | -163.6 | 8.2 | -156.3 | 158.7 | -119 | 0 | 0 | 109.1 | ||||
| 247 | A | 25.2 | Very low | 29.4 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | trans | -116.5 | 144.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 248 | A | 26.7 | Very low | 30.1 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 71% | 0.708 | S | S | * | * | trans | -172.6 | 126.3 | 138.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 249 | D | 26.1 | Very low | 30.5 | Very low | 168 Ų | 168 | 121.7 Ų | 121.7 | 90% | 0.898 | 68% | 0.677 | S | S | * | * | trans | 38.3 | 93.3 | 153.3 | -56.1 | -19.4 | 0 | 0 | 0 | 120.6 | ||||
| 250 | A | 25.2 | Very low | 31 | Very low | 90 Ų | 90 | 121.6 Ų | 121.6 | 74% | 0.744 | 67% | 0.674 | S | S | * | * | trans | -127.5 | 129.1 | 150.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 251 | P | 29.1 | Very low | 31.7 | Very low | 115 Ų | 115 | 111.5 Ų | 111.5 | 75% | 0.747 | 64% | 0.639 | S | S | * | * | trans | -74.4 | 135.9 | -176.5 | 29.8 | -34.1 | 0 | 0 | 0 | 111.4 | Q253 | P251-Q253 PolarHBondContact O-N 3.04Š| ||
| 252 | E | 24.6 | Very low | 32.8 | Very low | 176 Ų | 176 | 111.5 Ų | 111.5 | 82% | 0.822 | 63% | 0.627 | S | S | * | * | trans | -63.4 | 95.1 | 178 | -65.5 | 179.7 | 141.8 | 0 | 0 | 111.4 | H254 | E252-H254 VanDerWaalsContact C-N 3.34Å; E252-H254 PolarHBondContact O-N 3.32Å | ||
| 253 | Q | 26.7 | Very low | 34 | Very low | 159 Ų | 159 | 109.4 Ų | 109.4 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | trans | -73.8 | 87 | 172.1 | -71.7 | -170.1 | -2 | 0 | 0 | 110.4 | P251 R255 | P251-Q253 PolarHBondContact O-N 3.04Å; Q253-R255 PolarHBondContact O-N 3.28Å | ||
| 254 | H | 31.2 | Very low | 35.6 | Very low | 171 Ų | 171 | 105.8 Ų | 105.8 | 79% | 0.792 | 57% | 0.572 | S | S | * | * | trans | -51.2 | 119.7 | 168.6 | -92.4 | -97.9 | 0 | 0 | 0 | 111 | E252 S256 | E252-H254 VanDerWaalsContact C-N 3.34Å; E252-H254 PolarHBondContact O-N 3.32Å; H254-S256 PolarHBondContact O-N 3.09Å | ||
| 255 | R | 29.2 | Very low | 37.5 | Very low | 175 Ų | 175 | 98.4 Ų | 98.4 | 66% | 0.66 | 54% | 0.535 | S | S | * | . | trans | -69.7 | 95.6 | 179.4 | -70.2 | 178.1 | 175.3 | 164.1 | -2.7 | 111.1 | Q195 S233 Q253 | Q195-R255 PolarHBondContact NE2-O 3.24Å; S233-R255 PolarHBondContact OG-NH1 2.64Å; Q253-R255 PolarHBondContact O-N 3.28Å | ||
| 256 | S | 33.6 | Very low | 40.1 | Very low | 35 Ų | 35 | 93.7 Ų | 93.7 | 25% | 0.245 | 50% | 0.502 | C | S | . | . | trans | -98.8 | 120.7 | 158 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | H254 V258 | H254-S256 PolarHBondContact O-N 3.09Å; S256-V258 VanDerWaalsContact C-N 3.31Å; S256-V258 CarbonylContact O-C 3.53Å; S256-V258 PolarHBondContact OG-O 3.18Å | ||
| 257 | L | 38.7 | Very low | 42.6 | Very low | 42 Ų | 42 | 86.4 Ų | 86.4 | 22% | 0.22 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -77.2 | -17 | -178.3 | -79.9 | 147.6 | 0 | 0 | 0 | 112.9 | G231 T259 V765 | G231-L257 VanDerWaalsContact N-CD1 3.27Å; L257-T259 PolarHBondContact O-N 2.91Å; L257-V765 HydrophobicContact CD2-CG1 4.05Å |
| 258 | V | 41.4 | Very low | 45.1 | Very low | 22 Ų | 22 | 82.9 Ų | 82.9 | 13% | 0.133 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -79.5 | 105.4 | 152 | -171.1 | 0 | 0 | 0 | 0 | 107.2 | K188 L229 S256 K260 | K188-V258 HydrophobicContact CD-CG1 4Å; K188-V258 HydrophobicContact CG-CG1 4.33Å; K188-V258 HydrophobicContact CG-CG2 4.18Å; L229-V258 HydrophobicContact CB-CG2 3.8Å; L229-V258 HydrophobicContact CD1-CG2 3.47Å; L229-V258 VanDerWaalsContact CD1-CG2 3.47Å; L229-V258 HydrophobicContact CD2-CG2 3.77Å; L229-V258 HydrophobicContact CG-CG2 3.85Å; S256-V258 VanDerWaalsContact C-N 3.31Å; S256-V258 CarbonylContact O-C 3.53Å; S256-V258 PolarHBondContact OG-O 3.18Å; V258-K260 PolarHBondContact O-N 3.32Å |
| 259 | T | 40.9 | Very low | 47.9 | Very low | 41 Ų | 41 | 78.4 Ų | 78.4 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | trans | -61.6 | 113.6 | 176.4 | 37.4 | 0 | 0 | 0 | 0 | 110.1 | Y144 L257 T261 H772 | Y144-T259 WeakPolarHBondContact CE2-OG1 3.2Å; L257-T259 PolarHBondContact O-N 2.91Å; T259-T261 VanDerWaalsContact C-N 3.32Å; T259-T261 PolarHBondContact O-N 3.4Å; T259-H772 WeakPolarHBondContact CG2-NE2 3.39Å | ||
| 260 | K | 37.8 | Very low | 50.8 | Low | 176 Ų | 176 | 70.5 Ų | 70.5 | 77% | 0.765 | 36% | 0.356 | S | S | * | . | trans | -60.4 | 97.9 | 163.9 | -75.9 | -177.3 | 176.8 | 176.7 | 0 | 107.9 | V258 | V258-K260 PolarHBondContact O-N 3.32Š| ||
| 261 | T | 48.2 | Very low | 53.4 | Low | 25 Ų | 25 | 66.9 Ų | 66.9 | 15% | 0.153 | 32% | 0.324 | C | S | . | . | trans | -66.4 | 149.6 | 142.4 | 40.7 | 0 | 0 | 0 | 0 | 107.6 | S142 Y144 T259 E263 | S142-T261 PolarHBondContact O-OG1 3.34Å; Y144-T261 HydrophobicContact CE2-CG2 3.77Å; Y144-T261 WeakPolarHBondContact OH-CG2 3.47Å; T259-T261 VanDerWaalsContact C-N 3.32Å; T259-T261 PolarHBondContact O-N 3.4Å; T261-E263 PolarHBondContact O-N 3.39Å | ||
| 262 | E | 52.3 | Low | 55.9 | Low | 113 Ų | 113 | 61.5 Ų | 61.5 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | trans | -56.2 | 113.2 | 160.9 | -67.2 | 176.1 | 163.1 | 0 | 0 | 106.6 | F264 C265 S299 | E262-F264 PolarHBondContact O-N 2.92Å; E262-C265 HydrophobicContact CB-CB 4.45Å; E262-C265 PolarHBondContact O-N 2.89Å; E262-S299 WeakPolarHBondContact OE2-CA 3.38Å; E262-S299 WeakPolarHBondContact OE2-CB 3.32Å | ||
| 263 | E | 56 | Low | 58.8 | Low | 56 Ų | 56 | 53.1 Ų | 53.1 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -3.5 | -161.3 | -69.6 | 175.7 | 143.8 | 0 | 0 | 114.8 | K188 T261 R336 | K188-E263 IonicContact NZ-OE1 2.74Å; T261-E263 PolarHBondContact O-N 3.39Å; E263-R336 IonicContact OE2-NH2 3.14Å; E263-R336 PolarHBondContact OE2-NH2 3.45Å |
| 264 | F | 62.8 | Low | 61.3 | Low | 16 Ų | 16 | 45.7 Ų | 45.7 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | 22.2 | -166.8 | -55.3 | -66.3 | 0 | 0 | 0 | 113.2 | S88 E262 L266 V295 L296 D297 | S88-F264 VanDerWaalsContact CB-CE1 3.46Å; S88-F264 WeakPolarHBondContact OG-CE1 3.39Å; E262-F264 PolarHBondContact O-N 2.92Å; F264-L266 PolarHBondContact O-N 2.94Å; F264-V295 WeakPolarHBondContact CB-O 3.2Å; F264-V295 HydrophobicContact CD1-CG1 4Å; F264-V295 VanDerWaalsContact CD1-O 3.23Å; F264-V295 WeakPolarHBondContact CD1-O 3.49Å; F264-V295 HydrophobicContact CE1-CG1 4.32Å; F264-V295 HydrophobicContact CG-CG1 4.39Å; F264-L296 CarbonylContact O-C 3.59Å; F264-L296 VanDerWaalsContact O-CA 3.31Å; F264-L296 WeakPolarHBondContact O-CA 3.43Å; F264-L296 WeakPolarHBondContact O-CD2 3.2Å; F264-D297 PolarHBondContact O-N 3.18Å |
| 265 | C | 72.7 | Confident | 63.5 | Low | 7 Ų | 7 | 37.5 Ų | 37.5 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -77 | 111.9 | -171 | -167.6 | 0 | 0 | 0 | 0 | 113.6 | E262 F267 D268 | E262-C265 HydrophobicContact CB-CB 4.45Å; E262-C265 PolarHBondContact O-N 2.89Å; C265-F267 PolarHBondContact O-N 2.86Å; C265-D268 PolarHBondContact O-N 3.44Å |
| 266 | L | 83.4 | Confident | 65.8 | Low | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.9 | -27.4 | 174.9 | 174.1 | 61.6 | 0 | 0 | 0 | 112.5 | F264 V270 L296 D297 L298 F320 L342 V346 | F264-L266 PolarHBondContact O-N 2.94Å; L266-V270 HydrophobicContact CD1-CG2 3.95Å; L266-V270 HydrophobicContact CG-CG2 4.43Å; L266-V270 WeakPolarHBondContact O-CG2 3.5Å; L266-V270 PolarHBondContact O-N 2.86Å; L266-L296 HydrophobicContact CB-CB 4.44Å; L266-L296 HydrophobicContact CD1-CD1 4.16Å; L266-D297 PolarHBondContact N-O 3.37Å; L266-D297 VanDerWaalsContact N-O 3.1Å; L266-L298 HydrophobicContact CB-CD2 4.14Å; L266-L298 HydrophobicContact CD2-CD2 4.37Å; L266-F320 HydrophobicContact CD1-CE1 3.85Å; L266-F320 HydrophobicContact CD1-CZ 4.08Å; L266-L342 HydrophobicContact CD2-CD1 4.23Å; L266-L342 HydrophobicContact CD2-CD2 3.84Å; L266-L342 HydrophobicContact CD2-CG 3.94Å; L266-V346 HydrophobicContact CD2-CG2 4.19Å |
| 267 | F | 81.7 | Confident | 67.7 | Low | 37 Ų | 37 | 28.2 Ų | 28.2 | 16% | 0.162 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 178.7 | -175.2 | -93 | 0 | 0 | 0 | 111.7 | C265 I269 V270 Q271 D303 L307 | C265-F267 PolarHBondContact O-N 2.86Å; F267-I269 PolarHBondContact O-N 2.87Å; F267-V270 PolarHBondContact O-N 3.28Å; F267-Q271 HydrophobicContact CD1-CG 3.68Å; F267-Q271 HydrophobicContact CE1-CG 3.52Å; F267-Q271 HydrophobicContact CG-CG 4.28Å; F267-Q271 HydrophobicContact CZ-CG 4Å; F267-Q271 WeakPolarHBondContact O-CB 3.45Å; F267-Q271 VanDerWaalsContact O-CG 3.27Å; F267-Q271 WeakPolarHBondContact O-CG 3.5Å; F267-Q271 PolarHBondContact O-N 2.98Å; F267-D303 HydrophobicContact CD2-CB 3.84Å; F267-D303 HydrophobicContact CE2-CB 3.96Å; F267-L307 HydrophobicContact CB-CD1 4.21Å; F267-L307 HydrophobicContact CD2-CB 4.02Å; F267-L307 HydrophobicContact CD2-CD1 3.7Å; F267-L307 HydrophobicContact CE2-CB 4.25Å; F267-L307 HydrophobicContact CG-CD1 4.22Å |
| 268 | D | 78.6 | Confident | 68.9 | Low | 23 Ų | 23 | 27.4 Ų | 27.4 | 12% | 0.123 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 179.1 | -90.7 | 15.8 | 0 | 0 | 0 | 112 | Y140 C265 V270 Q271 L272 R787 | Y140-D268 HydrophobicContact CE2-CB 3.83Å; C265-D268 PolarHBondContact O-N 3.44Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.05Å; D268-Q271 PolarHBondContact O-N 2.86Å; D268-L272 WeakPolarHBondContact O-CB 3.03Å; D268-L272 PolarHBondContact O-N 2.83Å; D268-R787 IonicContact OD2-CZ 2.69Å; D268-R787 IonicContact OD2-NH1 3.87Å; D268-R787 PolarHBondContact OD2-NH1 2.77Å; D268-R787 VanDerWaalsContact OD2-NH1 3.16Å; D268-R787 IonicContact OD2-NH2 3.13Å; D268-R787 PolarHBondContact OD2-NH2 3.22Å |
| 269 | I | 85.5 | Confident | 69.6 | Low | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.9 | -49.1 | 176.8 | -64.6 | 178.7 | 0 | 0 | 0 | 110.6 | V82 Y140 F267 A273 V290 L296 | V82-I269 HydrophobicContact CB-CG2 4.34Å; V82-I269 HydrophobicContact CG1-CG2 3.83Å; Y140-I269 HydrophobicContact CD1-CD1 3.95Å; Y140-I269 HydrophobicContact CD1-CG1 3.51Å; Y140-I269 HydrophobicContact CD2-CG1 4.04Å; Y140-I269 HydrophobicContact CE1-CD1 4.04Å; Y140-I269 HydrophobicContact CE1-CG1 3.58Å; Y140-I269 HydrophobicContact CE2-CG1 4.11Å; Y140-I269 HydrophobicContact CG-CG1 3.74Å; F267-I269 PolarHBondContact O-N 2.87Å; I269-A273 PolarHBondContact O-N 3.42Å; I269-A273 VanDerWaalsContact O-N 3.11Å; I269-V290 HydrophobicContact CG2-CG1 3.84Å; I269-V290 HydrophobicContact CG2-CG2 4.09Å; I269-L296 HydrophobicContact CD1-CD1 4.21Å; I269-L296 HydrophobicContact CD1-CD2 3.57Å |
| 270 | V | 86.4 | Confident | 70 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -76.1 | -34.3 | -177.8 | 176 | 0 | 0 | 0 | 0 | 112 | L266 F267 D268 A273 L274 L288 L307 L311 | L266-V270 HydrophobicContact CD1-CG2 3.95Å; L266-V270 HydrophobicContact CG-CG2 4.43Å; L266-V270 WeakPolarHBondContact O-CG2 3.5Å; L266-V270 PolarHBondContact O-N 2.86Å; F267-V270 PolarHBondContact O-N 3.28Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.05Å; V270-A273 WeakPolarHBondContact O-CB 3.45Å; V270-A273 PolarHBondContact O-N 2.99Å; V270-L274 HydrophobicContact CG1-CD1 4Å; V270-L274 HydrophobicContact CG1-CG 4.26Å; V270-L274 WeakPolarHBondContact O-CB 3.43Å; V270-L274 VanDerWaalsContact O-CG 3.25Å; V270-L274 WeakPolarHBondContact O-CG 3.15Å; V270-L274 PolarHBondContact O-N 2.99Å; V270-L288 HydrophobicContact CG1-CD2 4.45Å; V270-L307 HydrophobicContact CB-CD1 3.71Å; V270-L307 HydrophobicContact CB-CG 4.28Å; V270-L307 HydrophobicContact CG1-CD1 3.88Å; V270-L307 HydrophobicContact CG1-CD2 4.18Å; V270-L307 HydrophobicContact CG1-CG 3.87Å; V270-L307 HydrophobicContact CG2-CD1 4.16Å; V270-L311 HydrophobicContact CG1-CD1 4.05Å; V270-L311 HydrophobicContact CG1-CD2 4.07Å; V270-L311 HydrophobicContact CG1-CG 4.22Å |
| 271 | Q | 80.4 | Confident | 70.5 | Confident | 15 Ų | 15 | 20.6 Ų | 20.6 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 173.7 | -72.1 | -66.3 | -6.5 | 0 | 0 | 111.3 | F267 D268 L274 L275 L781 | F267-Q271 HydrophobicContact CD1-CG 3.68Å; F267-Q271 HydrophobicContact CE1-CG 3.52Å; F267-Q271 HydrophobicContact CG-CG 4.28Å; F267-Q271 HydrophobicContact CZ-CG 4Å; F267-Q271 WeakPolarHBondContact O-CB 3.45Å; F267-Q271 VanDerWaalsContact O-CG 3.27Å; F267-Q271 WeakPolarHBondContact O-CG 3.5Å; F267-Q271 PolarHBondContact O-N 2.98Å; D268-Q271 PolarHBondContact O-N 2.86Å; Q271-L274 PolarHBondContact O-N 3.36Å; Q271-L275 PolarHBondContact O-N 3.49Å; Q271-L781 HydrophobicContact CB-CD2 4.49Å |
| 272 | L | 81.2 | Confident | 70.6 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.4 | -176.3 | 59.8 | 0 | 0 | 0 | 111.1 | V138 Y140 Q150 D268 L274 L275 T276 R787 F788 | V138-L272 HydrophobicContact CG1-CD2 3.57Å; V138-L272 HydrophobicContact CG1-CG 3.95Å; Y140-L272 HydrophobicContact CD2-CD2 4.01Å; Q150-L272 HydrophobicContact CB-CD2 4.46Å; D268-L272 WeakPolarHBondContact O-CB 3.03Å; D268-L272 PolarHBondContact O-N 2.83Å; L272-L274 PolarHBondContact O-N 3.24Å; L272-L275 PolarHBondContact O-N 3.37Å; L272-T276 PolarHBondContact O-N 3.29Å; L272-R787 HydrophobicContact CD1-CB 3.81Å; L272-R787 HydrophobicContact CD2-CB 4.14Å; L272-F788 HydrophobicContact CD1-CB 4.04Å |
| 273 | A | 85.1 | Confident | 70.8 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.2 | -46.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V80 V82 I269 V270 L275 T276 V277 L288 | V80-A273 HydrophobicContact CG1-CB 4.35Å; V82-A273 HydrophobicContact CG2-CB 3.81Å; I269-A273 PolarHBondContact O-N 3.42Å; I269-A273 VanDerWaalsContact O-N 3.11Å; V270-A273 WeakPolarHBondContact O-CB 3.45Å; V270-A273 PolarHBondContact O-N 2.99Å; A273-L275 VanDerWaalsContact C-N 3.27Å; A273-L275 PolarHBondContact O-N 2.91Å; A273-T276 PolarHBondContact O-N 3.49Å; A273-T276 VanDerWaalsContact O-N 3.11Å; A273-T276 PolarHBondContact O-OG1 2.65Å; A273-V277 PolarHBondContact O-N 3.21Å; A273-V277 VanDerWaalsContact O-N 3.11Å; A273-L288 HydrophobicContact CB-CD1 3.65Å; A273-L288 HydrophobicContact CB-CD2 3.87Å; A273-L288 HydrophobicContact CB-CG 4.43Å |
| 274 | L | 80.7 | Confident | 71 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.5 | -22.1 | -178.8 | -76.2 | 176.8 | 0 | 0 | 0 | 114 | V270 Q271 L272 S278 R310 L311 L314 | V270-L274 HydrophobicContact CG1-CD1 4Å; V270-L274 HydrophobicContact CG1-CG 4.26Å; V270-L274 WeakPolarHBondContact O-CB 3.43Å; V270-L274 VanDerWaalsContact O-CG 3.25Å; V270-L274 WeakPolarHBondContact O-CG 3.15Å; V270-L274 PolarHBondContact O-N 2.99Å; Q271-L274 PolarHBondContact O-N 3.36Å; L272-L274 PolarHBondContact O-N 3.24Å; L274-S278 PolarHBondContact O-N 2.95Å; L274-S278 PolarHBondContact O-OG 2.68Å; L274-S278 VanDerWaalsContact O-OG 3.12Å; L274-R310 HydrophobicContact CD1-CG 3.97Å; L274-L311 HydrophobicContact CD1-CD2 4.34Å; L274-L311 HydrophobicContact CD2-CD2 4.01Å; L274-L311 HydrophobicContact CG-CD2 4.37Å; L274-L314 HydrophobicContact CD2-CD1 3.65Å |
| 275 | L | 77.3 | Confident | 71.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.6 | -48.3 | 168.1 | -75.7 | 170.9 | 0 | 0 | 0 | 110.5 | Q271 L272 A273 V277 S278 D279 R755 L756 L781 L785 F788 | Q271-L275 PolarHBondContact O-N 3.49Å; L272-L275 PolarHBondContact O-N 3.37Å; A273-L275 VanDerWaalsContact C-N 3.27Å; A273-L275 PolarHBondContact O-N 2.91Å; L275-V277 VanDerWaalsContact C-N 3.3Å; L275-V277 PolarHBondContact O-N 3.26Å; L275-S278 PolarHBondContact O-N 3.05Å; L275-S278 PolarHBondContact O-OG 3.07Å; L275-D279 PolarHBondContact O-N 2.92Å; L275-R755 HydrophobicContact CD2-CB 4.49Å; L275-L756 HydrophobicContact CD2-CD2 4.43Å; L275-L781 HydrophobicContact CD2-CD1 4.15Å; L275-L781 HydrophobicContact CD2-CD2 4.17Å; L275-L781 HydrophobicContact CG-CD2 4.32Å; L275-L785 HydrophobicContact CD1-CD2 4.39Å; L275-L785 HydrophobicContact CD2-CD2 4.18Å; L275-F788 HydrophobicContact CD1-CB 4.42Å |
| 276 | T | 77.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 177.9 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | T136 V138 L272 A273 S278 D279 C280 F788 | T136-T276 HydrophobicContact CG2-CG2 3.98Å; V138-T276 HydrophobicContact CG2-CG2 3.77Å; L272-T276 PolarHBondContact O-N 3.29Å; A273-T276 PolarHBondContact O-N 3.49Å; A273-T276 VanDerWaalsContact O-N 3.11Å; A273-T276 PolarHBondContact O-OG1 2.65Å; T276-S278 VanDerWaalsContact C-N 3.28Å; T276-S278 PolarHBondContact O-N 2.87Å; T276-D279 PolarHBondContact O-N 3.16Å; T276-C280 PolarHBondContact O-SG 2.94Å; T276-F788 HydrophobicContact CG2-CD2 3.9Å; T276-F788 HydrophobicContact CG2-CE2 3.8Å |
| 277 | V | 72.3 | Confident | 72.1 | Confident | 15 Ų | 15 | 23 Ų | 23 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.6 | -34.9 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | V80 A273 L275 Y286 V316 | V80-V277 HydrophobicContact CG2-CG2 3.9Å; A273-V277 PolarHBondContact O-N 3.21Å; A273-V277 VanDerWaalsContact O-N 3.11Å; L275-V277 VanDerWaalsContact C-N 3.3Å; L275-V277 PolarHBondContact O-N 3.26Å; V277-Y286 HydrophobicContact CB-CD1 4.19Å; V277-Y286 HydrophobicContact CB-CG 4.38Å; V277-Y286 HydrophobicContact CG1-CD1 3.89Å; V277-Y286 HydrophobicContact CG1-CD2 3.72Å; V277-Y286 HydrophobicContact CG1-CE1 4.23Å; V277-Y286 HydrophobicContact CG1-CE2 4.09Å; V277-Y286 HydrophobicContact CG1-CG 3.64Å; V277-Y286 HydrophobicContact CG2-CD1 3.85Å; V277-Y286 HydrophobicContact CG2-CG 4.09Å; V277-V316 HydrophobicContact CG1-CG2 4.47Å |
| 278 | S | 64.2 | Low | 72.6 | Confident | 24 Ų | 24 | 21.4 Ų | 21.4 | 17% | 0.168 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -82.9 | -22 | -178.9 | 50.3 | 0 | 0 | 0 | 0 | 115.3 | L274 L275 T276 C280 P752 R755 | L274-S278 PolarHBondContact O-N 2.95Å; L274-S278 PolarHBondContact O-OG 2.68Å; L274-S278 VanDerWaalsContact O-OG 3.12Å; L275-S278 PolarHBondContact O-N 3.05Å; L275-S278 PolarHBondContact O-OG 3.07Å; T276-S278 VanDerWaalsContact C-N 3.28Å; T276-S278 PolarHBondContact O-N 2.87Å; S278-C280 VanDerWaalsContact C-N 3.33Å; S278-P752 WeakPolarHBondContact O-CD 3.36Å; S278-P752 VanDerWaalsContact O-CG 3.26Å; S278-P752 WeakPolarHBondContact O-CG 3.18Å; S278-R755 VanDerWaalsContact CB-NH1 3.26Å; S278-R755 PolarHBondContact OG-NH1 3.43Å |
| 279 | D | 56.4 | Low | 73.3 | Confident | 17 Ų | 17 | 20.3 Ų | 20.3 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -78.6 | -19.4 | 177.1 | -163.9 | 46.4 | 0 | 0 | 0 | 112.5 | Q154 L275 T276 L756 F788 | Q154-D279 PolarHBondContact NE2-OD2 2.91Å; L275-D279 PolarHBondContact O-N 2.92Å; T276-D279 PolarHBondContact O-N 3.16Å; D279-L756 HydrophobicContact CB-CD1 4.23Å; D279-L756 WeakPolarHBondContact OD1-CD1 3.42Å; D279-F788 HydrophobicContact CB-CE1 4.42Å; D279-F788 HydrophobicContact CB-CZ 3.93Å; D279-F788 WeakPolarHBondContact OD2-CZ 3.18Å |
| 280 | C | 50.5 | Low | 73.7 | Confident | 14 Ų | 14 | 20.3 Ų | 20.3 | 10% | 0.095 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -80.3 | 123 | 179.1 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | T276 S278 D282 Y286 | T276-C280 PolarHBondContact O-SG 2.94Å; S278-C280 VanDerWaalsContact C-N 3.33Å; C280-D282 VanDerWaalsContact C-N 3.26Å; C280-D282 PolarHBondContact O-N 3.03Å; C280-Y286 HydrophobicContact CB-CE1 3.94Å; C280-Y286 WeakPolarHBondContact CB-OH 3.34Å; C280-Y286 PolarHBondContact O-OH 2.8Å |
| 281 | S | 47.4 | Very low | 74 | Confident | 66 Ų | 66 | 20.3 Ų | 20.3 | 46% | 0.462 | 12% | 0.119 | S | C | . | . | trans | -74 | -4.1 | -169 | 59.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 282 | D | 50.6 | Low | 74.5 | Confident | 58 Ų | 58 | 19.6 Ų | 19.6 | 31% | 0.31 | 12% | 0.116 | S | C | . | . | trans | -96.6 | 126.4 | -179.6 | -98.6 | -36.5 | 0 | 0 | 0 | 111.2 | R134 C280 G284 Y286 | R134-D282 IonicContact CZ-OD2 3.64Å; R134-D282 IonicContact NE-OD2 2.67Å; R134-D282 IonicContact NH2-OD2 3.17Å; R134-D282 PolarHBondContact NH2-OD2 3.3Å; C280-D282 VanDerWaalsContact C-N 3.26Å; C280-D282 PolarHBondContact O-N 3.03Å; D282-G284 PolarHBondContact O-N 3.14Å; D282-Y286 WeakPolarHBondContact O-CE2 3.34Å; D282-Y286 PolarHBondContact O-OH 3.25Å | ||
| 283 | D | 55.3 | Low | 74.6 | Confident | 144 Ų | 144 | 19.5 Ų | 19.5 | 77% | 0.77 | 12% | 0.116 | S | C | * | . | trans | -69.6 | 37.2 | 167.7 | -87.8 | -39.8 | 0 | 0 | 0 | 112.5 | ||||
| 284 | G | 60 | Low | 74.6 | Confident | 10 Ų | 10 | 19.5 Ų | 19.5 | 10% | 0.103 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 161.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | D282 Y286 | D282-G284 PolarHBondContact O-N 3.14Å; G284-Y286 WeakPolarHBondContact O-CD2 3.4Å; G284-Y286 VanDerWaalsContact O-CE2 3.28Å; G284-Y286 WeakPolarHBondContact O-CE2 3.23Å; G284-Y286 PolarHBondContact O-N 3.02Å |
| 285 | P | 71.9 | Confident | 74.7 | Confident | 31 Ų | 31 | 19.7 Ų | 19.7 | 20% | 0.201 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 119.7 | 166 | 29.5 | -33.7 | 0 | 0 | 0 | 109.4 | L22 S74 E76 C77 S78 | L22-P285 HydrophobicContact CD1-CB 4.3Å; L22-P285 HydrophobicContact CD1-CG 3.78Å; S74-P285 WeakPolarHBondContact OG-CG 3.49Å; E76-P285 WeakPolarHBondContact O-CD 3.38Å; E76-P285 WeakPolarHBondContact O-CG 3.24Å; C77-P285 HydrophobicContact CB-CG 4.01Å; C77-P285 WeakPolarHBondContact CB-O 3.5Å; S78-P285 PolarHBondContact N-O 3.22Å; S78-P285 VanDerWaalsContact N-O 3.12Å |
| 286 | Y | 82.1 | Confident | 74.9 | Confident | 19 Ų | 19 | 20 Ų | 20 | 8% | 0.075 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 139.8 | 173.2 | -67.6 | -93.6 | 0 | 0 | 0 | 110.3 | S78 V277 C280 D282 G284 P317 | S78-Y286 CarbonylContact O-C 3.58Å; S78-Y286 VanDerWaalsContact O-CA 3.31Å; S78-Y286 WeakPolarHBondContact O-CA 3.32Å; V277-Y286 HydrophobicContact CB-CD1 4.19Å; V277-Y286 HydrophobicContact CB-CG 4.38Å; V277-Y286 HydrophobicContact CG1-CD1 3.89Å; V277-Y286 HydrophobicContact CG1-CD2 3.72Å; V277-Y286 HydrophobicContact CG1-CE1 4.23Å; V277-Y286 HydrophobicContact CG1-CE2 4.09Å; V277-Y286 HydrophobicContact CG1-CG 3.64Å; V277-Y286 HydrophobicContact CG2-CD1 3.85Å; V277-Y286 HydrophobicContact CG2-CG 4.09Å; C280-Y286 HydrophobicContact CB-CE1 3.94Å; C280-Y286 WeakPolarHBondContact CB-OH 3.34Å; C280-Y286 PolarHBondContact O-OH 2.8Å; D282-Y286 WeakPolarHBondContact O-CE2 3.34Å; D282-Y286 PolarHBondContact O-OH 3.25Å; G284-Y286 WeakPolarHBondContact O-CD2 3.4Å; G284-Y286 VanDerWaalsContact O-CE2 3.28Å; G284-Y286 WeakPolarHBondContact O-CE2 3.23Å; G284-Y286 PolarHBondContact O-N 3.02Å; Y286-P317 WeakPolarHBondContact O-CD 3.38Å |
| 287 | H | 89.3 | Confident | 74.7 | Confident | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.1 | 174.1 | -167.5 | 93.5 | 0 | 0 | 0 | 110.7 | S78 V79 V80 F289 S319 A375 | S78-H287 PolarHBondContact O-N 3.49Å; V79-H287 WeakPolarHBondContact CA-O 3.34Å; V80-H287 PolarHBondContact N-O 3.37Å; H287-F289 AromaticContact CD2-CD2 3.58Å; H287-F289 AromaticContact CD2-CE2 3.27Å; H287-F289 WeakPolarHBondContact CD2-CE2 3.45Å; H287-F289 AromaticContact CD2-CZ 3.83Å; H287-F289 AromaticContact NE2-CE2 3.61Å; H287-F289 AromaticContact NE2-CZ 3.64Å; H287-S319 PolarHBondContact CE1-OG 2.65Å; H287-S319 PolarHBondContact NE2-OG 3Å; H287-A375 VanDerWaalsContact CE1-C 3.45Å; H287-A375 PolarHBondContact CE1-O 3.04Å; H287-A375 PolarHBondContact ND1-O 3.4Å |
| 288 | L | 92.5 | Very high | 74.7 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.9 | -177.1 | 174.3 | 55.7 | 0 | 0 | 0 | 110.3 | V80 V82 V270 A273 V290 V316 P317 C318 S319 | V80-L288 HydrophobicContact CB-CD1 4.25Å; V80-L288 HydrophobicContact CG1-CD1 4.16Å; V80-L288 WeakPolarHBondContact O-CA 3.48Å; V82-L288 HydrophobicContact CG2-CD1 3.83Å; V270-L288 HydrophobicContact CG1-CD2 4.45Å; A273-L288 HydrophobicContact CB-CD1 3.65Å; A273-L288 HydrophobicContact CB-CD2 3.87Å; A273-L288 HydrophobicContact CB-CG 4.43Å; L288-V290 HydrophobicContact CD1-CG2 4.08Å; L288-V290 HydrophobicContact CD2-CG2 4.33Å; L288-V290 HydrophobicContact CG-CG2 4.06Å; L288-V316 HydrophobicContact CB-CG1 4.06Å; L288-P317 PolarHBondContact N-O 2.87Å; L288-C318 HydrophobicContact CD2-CB 4.35Å; L288-S319 PolarHBondContact O-N 2.77Å |
| 289 | F | 93.7 | Very high | 74.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.7 | 165.1 | -76.9 | -84.1 | 0 | 0 | 0 | 109.9 | V79 V80 F81 V82 L116 H287 S319 I321 F355 Y372 A375 A376 | V79-F289 HydrophobicContact CG1-CD2 3.61Å; V79-F289 HydrophobicContact CG1-CE2 3.92Å; V80-F289 PolarHBondContact O-N 2.77Å; F81-F289 CarbonylContact C-O 3.55Å; F81-F289 WeakPolarHBondContact CA-O 3.37Å; F81-F289 HydrophobicContact CD1-CB 3.56Å; F81-F289 HydrophobicContact CD1-CG 4.31Å; F81-F289 HydrophobicContact CE1-CB 3.59Å; F81-F289 HydrophobicContact CE1-CD2 4.05Å; F81-F289 AromaticContact CE1-CG 3.84Å; F81-F289 HydrophobicContact CE1-CG 3.84Å; F81-F289 HydrophobicContact CE2-CD2 4.34Å; F81-F289 HydrophobicContact CG-CB 4.24Å; F81-F289 HydrophobicContact CZ-CB 4.28Å; F81-F289 AromaticContact CZ-CD2 3.9Å; F81-F289 HydrophobicContact CZ-CD2 3.9Å; F81-F289 HydrophobicContact CZ-CE2 4.48Å; F81-F289 HydrophobicContact CZ-CG 4.17Å; V82-F289 PolarHBondContact N-O 3.08Å; L116-F289 HydrophobicContact CD1-CE2 4.28Å; H287-F289 AromaticContact CD2-CD2 3.58Å; H287-F289 AromaticContact CD2-CE2 3.27Å; H287-F289 WeakPolarHBondContact CD2-CE2 3.45Å; H287-F289 AromaticContact CD2-CZ 3.83Å; H287-F289 AromaticContact NE2-CE2 3.61Å; H287-F289 AromaticContact NE2-CZ 3.64Å; F289-S319 CarbonylContact C-O 3.54Å; F289-S319 WeakPolarHBondContact CA-O 3.3Å; F289-I321 HydrophobicContact CD1-CD1 4.28Å; F289-I321 HydrophobicContact CD1-CG1 4.35Å; F289-F355 AromaticContact CE1-CE2 3.98Å; F289-F355 HydrophobicContact CE1-CE2 3.98Å; F289-Y372 AromaticContact CE1-CD1 3.94Å; F289-Y372 HydrophobicContact CE1-CD1 3.94Å; F289-Y372 HydrophobicContact CZ-CD1 4.34Å; F289-A375 HydrophobicContact CZ-CB 4.17Å; F289-A376 HydrophobicContact CE2-CB 3.89Å; F289-A376 HydrophobicContact CZ-CB 4.18Å |
| 290 | V | 93.9 | Very high | 75.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122 | 170.6 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | V82 I269 L288 T292 S319 F320 I321 | V82-V290 HydrophobicContact CB-CG2 4.42Å; V82-V290 WeakPolarHBondContact O-CA 3.39Å; I269-V290 HydrophobicContact CG2-CG1 3.84Å; I269-V290 HydrophobicContact CG2-CG2 4.09Å; L288-V290 HydrophobicContact CD1-CG2 4.08Å; L288-V290 HydrophobicContact CD2-CG2 4.33Å; L288-V290 HydrophobicContact CG-CG2 4.06Å; V290-T292 HydrophobicContact CG1-CG2 4.29Å; V290-S319 PolarHBondContact N-O 3.02Å; V290-F320 HydrophobicContact CB-CD1 3.62Å; V290-F320 HydrophobicContact CB-CE1 3.71Å; V290-F320 HydrophobicContact CG1-CD1 4Å; V290-F320 HydrophobicContact CG1-CE1 4.03Å; V290-F320 HydrophobicContact CG2-CD1 4.35Å; V290-F320 HydrophobicContact CG2-CE1 3.98Å; V290-F320 CarbonylContact O-C 3.21Å; V290-F320 VanDerWaalsContact O-CA 3.29Å; V290-F320 WeakPolarHBondContact O-CA 3.44Å; V290-I321 PolarHBondContact O-N 3.24Å |
| 291 | I | 92.9 | Very high | 76.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116.5 | 177 | -51.2 | -169.1 | 0 | 0 | 0 | 107.3 | F81 V82 L83 D84 V105 A108 F109 I321 I323 | F81-I291 HydrophobicContact CD1-CD1 4Å; F81-I291 HydrophobicContact CD1-CG1 4.39Å; F81-I291 HydrophobicContact CE1-CD1 4.27Å; V82-I291 PolarHBondContact O-N 3.34Å; L83-I291 HydrophobicContact CD2-CB 4.31Å; L83-I291 HydrophobicContact CD2-CD1 3.88Å; L83-I291 HydrophobicContact CD2-CG1 4.26Å; D84-I291 WeakPolarHBondContact CB-O 3.42Å; D84-I291 PolarHBondContact N-O 3.38Å; V105-I291 HydrophobicContact CG1-CB 4.46Å; V105-I291 HydrophobicContact CG1-CG2 4.12Å; A108-I291 HydrophobicContact CB-CG2 3.91Å; F109-I291 VanDerWaalsContact CA-CD1 3.46Å; F109-I291 HydrophobicContact CB-CD1 3.75Å; F109-I291 HydrophobicContact CD2-CD1 4.43Å; I291-I321 WeakPolarHBondContact CA-O 3.46Å; I291-I321 HydrophobicContact CD1-CD1 3.98Å; I291-I321 HydrophobicContact CG1-CB 4.17Å; I291-I321 HydrophobicContact CG1-CD1 4.01Å; I291-I321 HydrophobicContact CG1-CG1 4.34Å; I291-I321 HydrophobicContact CG2-CB 4.32Å; I291-I323 HydrophobicContact CG2-CD1 4.03Å; I291-I323 HydrophobicContact CG2-CG1 4.08Å |
| 292 | T | 89.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 158.1 | -168.1 | 176.3 | 0 | 0 | 0 | 0 | 111.8 | D84 V290 G294 L296 F320 I321 Q322 I323 L343 | D84-T292 VanDerWaalsContact OD2-CB 3.27Å; D84-T292 WeakPolarHBondContact OD2-CB 3.41Å; D84-T292 PolarHBondContact OD2-OG1 3.23Å; V290-T292 HydrophobicContact CG1-CG2 4.29Å; T292-G294 PolarHBondContact OG1-N 2.76Å; T292-L296 HydrophobicContact CG2-CD1 4.1Å; T292-F320 HydrophobicContact CG2-CD1 4.43Å; T292-I321 PolarHBondContact N-O 3.36Å; T292-Q322 VanDerWaalsContact O-CA 3.32Å; T292-Q322 WeakPolarHBondContact O-CA 3.19Å; T292-I323 PolarHBondContact O-N 2.96Å; T292-L343 HydrophobicContact CG2-CD1 3.83Å |
| 293 | D | 84.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -76.2 | -11.8 | 167.9 | 80.1 | -23.6 | 0 | 0 | 0 | 112.2 | S88 I101 V295 T324 | S88-D293 WeakPolarHBondContact CB-OD2 3.07Å; S88-D293 PolarHBondContact OG-OD1 3.25Å; S88-D293 PolarHBondContact OG-OD2 3.22Å; I101-D293 HydrophobicContact CG2-CB 3.86Å; D293-V295 WeakPolarHBondContact OD1-CB 3.09Å; D293-V295 PolarHBondContact OD1-N 3.32Å; D293-V295 VanDerWaalsContact OD2-CG2 3.32Å; D293-V295 WeakPolarHBondContact OD2-CG2 3.46Å; D293-T324 HydrophobicContact CB-CG2 3.81Å; D293-T324 WeakPolarHBondContact O-CG2 3.15Å; D293-T324 PolarHBondContact O-OG1 2.95Å | ||
| 294 | G | 83.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 87 | -0.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T292 L296 P338 S339 | T292-G294 PolarHBondContact OG1-N 2.76Å; G294-L296 PolarHBondContact O-N 3.14Å; G294-P338 CarbonylContact O-C 3.53Å; G294-P338 WeakPolarHBondContact O-CA 3.42Å; G294-S339 PolarHBondContact O-N 2.96Å |
| 295 | V | 82.6 | Confident | 80.4 | Confident | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | trans | -78.8 | 78.1 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | F264 D293 Y328 R336 P338 | F264-V295 WeakPolarHBondContact CB-O 3.2Å; F264-V295 HydrophobicContact CD1-CG1 4Å; F264-V295 VanDerWaalsContact CD1-O 3.23Å; F264-V295 WeakPolarHBondContact CD1-O 3.49Å; F264-V295 HydrophobicContact CE1-CG1 4.32Å; F264-V295 HydrophobicContact CG-CG1 4.39Å; D293-V295 WeakPolarHBondContact OD1-CB 3.09Å; D293-V295 PolarHBondContact OD1-N 3.32Å; D293-V295 VanDerWaalsContact OD2-CG2 3.32Å; D293-V295 WeakPolarHBondContact OD2-CG2 3.46Å; V295-Y328 HydrophobicContact CG2-CE2 4.21Å; V295-R336 HydrophobicContact CG1-CB 3.83Å; V295-R336 HydrophobicContact CG1-CG 4.45Å; V295-P338 HydrophobicContact CG2-CB 4.42Å | ||
| 296 | L | 81.6 | Confident | 80.5 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | trans | -131.7 | 141.7 | -174.6 | -65.4 | 174.6 | 0 | 0 | 0 | 111.4 | F264 L266 I269 T292 G294 S339 L343 | F264-L296 CarbonylContact O-C 3.59Å; F264-L296 VanDerWaalsContact O-CA 3.31Å; F264-L296 WeakPolarHBondContact O-CA 3.43Å; F264-L296 WeakPolarHBondContact O-CD2 3.2Å; L266-L296 HydrophobicContact CB-CB 4.44Å; L266-L296 HydrophobicContact CD1-CD1 4.16Å; I269-L296 HydrophobicContact CD1-CD1 4.21Å; I269-L296 HydrophobicContact CD1-CD2 3.57Å; T292-L296 HydrophobicContact CG2-CD1 4.1Å; G294-L296 PolarHBondContact O-N 3.14Å; L296-S339 WeakPolarHBondContact O-CB 3.37Å; L296-S339 PolarHBondContact O-OG 2.79Å; L296-L343 HydrophobicContact CD1-CD2 4.05Å | ||
| 297 | D | 74.6 | Confident | 80.4 | Confident | 108 Ų | 108 | 27.5 Ų | 27.5 | 58% | 0.578 | 16% | 0.159 | S | C | * | . | B | Isolated β-bridge | trans | -124.7 | 173.6 | 179.6 | -152.1 | -8.2 | 0 | 0 | 0 | 111.2 | F264 L266 | F264-D297 PolarHBondContact O-N 3.18Å; L266-D297 PolarHBondContact N-O 3.37Å; L266-D297 VanDerWaalsContact N-O 3.1Å |
| 298 | L | 71.2 | Confident | 80 | Confident | 34 Ų | 34 | 27.7 Ų | 27.7 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | trans | -132.5 | 118.3 | 179.3 | -70.3 | 168.3 | 0 | 0 | 0 | 110.6 | L266 S300 L304 L342 | L266-L298 HydrophobicContact CB-CD2 4.14Å; L266-L298 HydrophobicContact CD2-CD2 4.37Å; L298-S300 VanDerWaalsContact C-N 3.25Å; L298-S300 PolarHBondContact O-N 2.89Å; L298-L304 HydrophobicContact CD1-CB 4.06Å; L298-L304 HydrophobicContact CD1-CD1 3.98Å; L298-L304 HydrophobicContact CD1-CD2 3.74Å; L298-L304 HydrophobicContact CD1-CG 4.12Å; L298-L304 HydrophobicContact CD2-CB 4.37Å; L298-L304 HydrophobicContact CD2-CD1 4.21Å; L298-L342 HydrophobicContact CD1-CD1 3.62Å; L298-L342 HydrophobicContact CD1-CD2 3.92Å; L298-L342 HydrophobicContact CD1-CG 4.45Å; L298-L342 HydrophobicContact CG-CD1 4.42Å; L298-L342 HydrophobicContact CG-CD2 3.91Å | ||
| 299 | S | 65.8 | Low | 79.3 | Confident | 55 Ų | 55 | 29.3 Ų | 29.3 | 39% | 0.385 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -48.4 | -42.3 | 174.3 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | E262 D303 | E262-S299 WeakPolarHBondContact OE2-CA 3.38Å; E262-S299 WeakPolarHBondContact OE2-CB 3.32Å; S299-D303 PolarHBondContact OG-OD2 3.45Å |
| 300 | S | 71 | Confident | 78.5 | Confident | 42 Ų | 42 | 32 Ų | 32 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | trans | -155.3 | 162.5 | 173.8 | 80.1 | 0 | 0 | 0 | 0 | 114.4 | L298 D302 D303 L304 | L298-S300 VanDerWaalsContact C-N 3.25Å; L298-S300 PolarHBondContact O-N 2.89Å; S300-D302 VanDerWaalsContact C-N 3.3Å; S300-D302 PolarHBondContact OG-N 3.46Å; S300-D303 WeakPolarHBondContact CB-OD2 3.48Å; S300-D303 PolarHBondContact N-OD2 3.21Å; S300-D303 WeakPolarHBondContact OG-CB 3.38Å; S300-D303 PolarHBondContact OG-N 2.73Å; S300-D303 PolarHBondContact OG-OD2 2.77Å; S300-L304 PolarHBondContact O-N 2.73Å | ||
| 301 | N | 71 | Confident | 77.9 | Confident | 70 Ų | 70 | 32 Ų | 32 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.1 | -33.1 | 170.9 | -90.7 | -78.2 | 0 | 0 | 0 | 112.5 | Q305 K450 | N301-Q305 WeakPolarHBondContact O-CG 3.35Å; N301-Q305 PolarHBondContact O-N 3.22Å; N301-Q305 VanDerWaalsContact O-N 3.09Å; N301-K450 WeakPolarHBondContact OD1-CE 3.4Å; N301-K450 PolarHBondContact OD1-NZ 3.35Å |
| 302 | D | 71.1 | Confident | 77.1 | Confident | 86 Ų | 86 | 33.3 Ų | 33.3 | 46% | 0.46 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -72.6 | -36.7 | -179.7 | -87.7 | -20.9 | 0 | 0 | 0 | 111.1 | S300 L304 Q305 C306 | S300-D302 VanDerWaalsContact C-N 3.3Å; S300-D302 PolarHBondContact OG-N 3.46Å; D302-L304 PolarHBondContact O-N 3Å; D302-Q305 PolarHBondContact O-N 3.23Å; D302-C306 WeakPolarHBondContact O-CB 3.1Å; D302-C306 PolarHBondContact O-N 3.39Å; D302-C306 PolarHBondContact O-SG 3.15Å |
| 303 | D | 72.5 | Confident | 76.3 | Confident | 48 Ų | 48 | 35 Ų | 35 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 172.4 | -64.7 | -41 | 0 | 0 | 0 | 111.3 | F267 S299 S300 Q305 C306 L307 | F267-D303 HydrophobicContact CD2-CB 3.84Å; F267-D303 HydrophobicContact CE2-CB 3.96Å; S299-D303 PolarHBondContact OG-OD2 3.45Å; S300-D303 WeakPolarHBondContact CB-OD2 3.48Å; S300-D303 PolarHBondContact N-OD2 3.21Å; S300-D303 WeakPolarHBondContact OG-CB 3.38Å; S300-D303 PolarHBondContact OG-N 2.73Å; S300-D303 PolarHBondContact OG-OD2 2.77Å; D303-Q305 PolarHBondContact O-N 2.65Å; D303-C306 PolarHBondContact O-N 3.36Å; D303-L307 WeakPolarHBondContact O-CB 3.47Å; D303-L307 PolarHBondContact O-N 3.37Å |
| 304 | L | 78 | Confident | 75.8 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 173.9 | 178.5 | 64.7 | 0 | 0 | 0 | 111.8 | L298 S300 D302 L307 L308 L342 F345 V346 | L298-L304 HydrophobicContact CD1-CB 4.06Å; L298-L304 HydrophobicContact CD1-CD1 3.98Å; L298-L304 HydrophobicContact CD1-CD2 3.74Å; L298-L304 HydrophobicContact CD1-CG 4.12Å; L298-L304 HydrophobicContact CD2-CB 4.37Å; L298-L304 HydrophobicContact CD2-CD1 4.21Å; S300-L304 PolarHBondContact O-N 2.73Å; D302-L304 PolarHBondContact O-N 3Å; L304-L307 PolarHBondContact O-N 2.91Å; L304-L308 HydrophobicContact CD1-CD1 3.89Å; L304-L308 HydrophobicContact CD1-CG 4.06Å; L304-L308 HydrophobicContact CG-CD1 3.89Å; L304-L308 HydrophobicContact CG-CG 4.42Å; L304-L308 WeakPolarHBondContact O-CB 3.42Å; L304-L308 VanDerWaalsContact O-CG 3.24Å; L304-L308 WeakPolarHBondContact O-CG 3.43Å; L304-L308 PolarHBondContact O-N 3.28Å; L304-L342 HydrophobicContact CD1-CD1 4.45Å; L304-F345 HydrophobicContact CD2-CE1 4.07Å; L304-V346 HydrophobicContact CD1-CG2 4.03Å |
| 305 | Q | 75 | Confident | 75.6 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.2 | -36.7 | 179 | -67.3 | -61.9 | -53.6 | 0 | 0 | 112.3 | N301 D302 D303 T309 W449 | N301-Q305 WeakPolarHBondContact O-CG 3.35Å; N301-Q305 PolarHBondContact O-N 3.22Å; N301-Q305 VanDerWaalsContact O-N 3.09Å; D302-Q305 PolarHBondContact O-N 3.23Å; D303-Q305 PolarHBondContact O-N 2.65Å; Q305-T309 WeakPolarHBondContact O-CB 3.31Å; Q305-T309 PolarHBondContact O-N 3.4Å; Q305-T309 PolarHBondContact O-OG1 3.25Å; Q305-W449 PolarHBondContact NE2-O 3Å |
| 306 | C | 75.1 | Confident | 75.7 | Confident | 81 Ų | 81 | 40 Ų | 40 | 55% | 0.547 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 174.2 | -75.7 | 0 | 0 | 0 | 0 | 111.6 | D302 D303 T309 R310 | D302-C306 WeakPolarHBondContact O-CB 3.1Å; D302-C306 PolarHBondContact O-N 3.39Å; D302-C306 PolarHBondContact O-SG 3.15Å; D303-C306 PolarHBondContact O-N 3.36Å; C306-T309 PolarHBondContact O-N 2.78Å; C306-R310 WeakPolarHBondContact O-CB 3.38Å; C306-R310 PolarHBondContact O-N 3.1Å |
| 307 | L | 79.8 | Confident | 76 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -50 | 176.7 | 177 | 153.3 | 0 | 0 | 0 | 111.9 | F267 V270 D303 L304 T309 R310 L311 | F267-L307 HydrophobicContact CB-CD1 4.21Å; F267-L307 HydrophobicContact CD2-CB 4.02Å; F267-L307 HydrophobicContact CD2-CD1 3.7Å; F267-L307 HydrophobicContact CE2-CB 4.25Å; F267-L307 HydrophobicContact CG-CD1 4.22Å; V270-L307 HydrophobicContact CB-CD1 3.71Å; V270-L307 HydrophobicContact CB-CG 4.28Å; V270-L307 HydrophobicContact CG1-CD1 3.88Å; V270-L307 HydrophobicContact CG1-CD2 4.18Å; V270-L307 HydrophobicContact CG1-CG 3.87Å; V270-L307 HydrophobicContact CG2-CD1 4.16Å; D303-L307 WeakPolarHBondContact O-CB 3.47Å; D303-L307 PolarHBondContact O-N 3.37Å; L304-L307 PolarHBondContact O-N 2.91Å; L307-T309 VanDerWaalsContact C-N 3.32Å; L307-T309 PolarHBondContact O-N 2.95Å; L307-R310 PolarHBondContact O-N 3.43Å; L307-R310 VanDerWaalsContact O-N 3.12Å; L307-L311 HydrophobicContact CD2-CD1 3.71Å; L307-L311 PolarHBondContact O-N 3.09Å |
| 308 | L | 81.1 | Confident | 76.8 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 177 | -70.5 | 172.8 | 0 | 0 | 0 | 111.6 | L304 R310 H312 F345 V346 V349 T350 | L304-L308 HydrophobicContact CD1-CD1 3.89Å; L304-L308 HydrophobicContact CD1-CG 4.06Å; L304-L308 HydrophobicContact CG-CD1 3.89Å; L304-L308 HydrophobicContact CG-CG 4.42Å; L304-L308 WeakPolarHBondContact O-CB 3.42Å; L304-L308 VanDerWaalsContact O-CG 3.24Å; L304-L308 WeakPolarHBondContact O-CG 3.43Å; L304-L308 PolarHBondContact O-N 3.28Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 2.66Å; L308-H312 VanDerWaalsContact O-CB 3.29Å; L308-H312 WeakPolarHBondContact O-CB 3.39Å; L308-H312 PolarHBondContact O-N 2.88Å; L308-F345 HydrophobicContact CD1-CE1 3.78Å; L308-F345 HydrophobicContact CD1-CZ 4.25Å; L308-V346 HydrophobicContact CD2-CB 4.46Å; L308-V346 HydrophobicContact CD2-CG1 4.02Å; L308-V346 HydrophobicContact CD2-CG2 4.32Å; L308-V349 HydrophobicContact CB-CG1 4.39Å; L308-V349 HydrophobicContact CD1-CG1 4.24Å; L308-V349 HydrophobicContact CD1-CG2 4.48Å; L308-V349 HydrophobicContact CD2-CB 4.06Å; L308-V349 HydrophobicContact CD2-CG1 3.84Å; L308-V349 HydrophobicContact CG-CG1 4.38Å; L308-T350 HydrophobicContact CD2-CG2 4.06Å |
| 309 | T | 76.7 | Confident | 77.8 | Confident | 37 Ų | 37 | 33.9 Ų | 33.9 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 174.5 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | Q305 C306 L307 V313 V599 | Q305-T309 WeakPolarHBondContact O-CB 3.31Å; Q305-T309 PolarHBondContact O-N 3.4Å; Q305-T309 PolarHBondContact O-OG1 3.25Å; C306-T309 PolarHBondContact O-N 2.78Å; L307-T309 VanDerWaalsContact C-N 3.32Å; L307-T309 PolarHBondContact O-N 2.95Å; T309-V313 HydrophobicContact CG2-CG2 4.37Å; T309-V313 WeakPolarHBondContact O-CB 3.19Å; T309-V313 VanDerWaalsContact O-CG2 3.23Å; T309-V313 WeakPolarHBondContact O-CG2 3.32Å; T309-V313 PolarHBondContact O-N 3.38Å; T309-V599 HydrophobicContact CG2-CG1 3.59Å |
| 310 | R | 76.7 | Confident | 79 | Confident | 58 Ų | 58 | 31.3 Ų | 31.3 | 22% | 0.219 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.1 | -45.2 | 179.5 | -173.1 | 169.5 | 167.6 | -179.8 | -18.3 | 111.8 | L274 C306 L307 L308 H312 V313 L314 | L274-R310 HydrophobicContact CD1-CG 3.97Å; C306-R310 WeakPolarHBondContact O-CB 3.38Å; C306-R310 PolarHBondContact O-N 3.1Å; L307-R310 PolarHBondContact O-N 3.43Å; L307-R310 VanDerWaalsContact O-N 3.12Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 2.66Å; R310-H312 VanDerWaalsContact C-N 3.33Å; R310-H312 PolarHBondContact O-N 3.32Å; R310-V313 PolarHBondContact O-N 3.07Å; R310-L314 HydrophobicContact CG-CD1 4.05Å; R310-L314 WeakPolarHBondContact O-CB 3.42Å; R310-L314 VanDerWaalsContact O-CG 3.28Å; R310-L314 WeakPolarHBondContact O-CG 3.31Å; R310-L314 PolarHBondContact O-N 3.28Å |
| 311 | L | 82.1 | Confident | 80 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.2 | -44.9 | 172.7 | -73.5 | 171.4 | 0 | 0 | 0 | 111.6 | V270 L274 L307 L314 N315 V316 C318 T350 | V270-L311 HydrophobicContact CG1-CD1 4.05Å; V270-L311 HydrophobicContact CG1-CD2 4.07Å; V270-L311 HydrophobicContact CG1-CG 4.22Å; L274-L311 HydrophobicContact CD1-CD2 4.34Å; L274-L311 HydrophobicContact CD2-CD2 4.01Å; L274-L311 HydrophobicContact CG-CD2 4.37Å; L307-L311 HydrophobicContact CD2-CD1 3.71Å; L307-L311 PolarHBondContact O-N 3.09Å; L311-L314 CarbonylContact O-C 3.58Å; L311-L314 PolarHBondContact O-N 3.43Å; L311-N315 PolarHBondContact O-N 3.02Å; L311-V316 HydrophobicContact CD2-CB 4.03Å; L311-V316 HydrophobicContact CD2-CG1 4.17Å; L311-V316 PolarHBondContact O-N 2.96Å; L311-C318 HydrophobicContact CD1-CB 4.18Å; L311-T350 HydrophobicContact CB-CG2 4.05Å; L311-T350 HydrophobicContact CD1-CG2 3.81Å |
| 312 | H | 76.8 | Confident | 80.8 | Confident | 26 Ų | 26 | 26 Ų | 26 | 12% | 0.12 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.7 | -40 | -179.1 | -163.8 | 85.1 | 0 | 0 | 0 | 113.1 | L308 R310 L314 N315 L425 H430 | L308-H312 VanDerWaalsContact O-CB 3.29Å; L308-H312 WeakPolarHBondContact O-CB 3.39Å; L308-H312 PolarHBondContact O-N 2.88Å; R310-H312 VanDerWaalsContact C-N 3.33Å; R310-H312 PolarHBondContact O-N 3.32Å; H312-L314 VanDerWaalsContact C-N 3.29Å; H312-L314 PolarHBondContact O-N 2.92Å; H312-N315 PolarHBondContact O-N 3.11Å; H312-N315 VanDerWaalsContact O-N 3.15Å; H312-L425 PolarHBondContact NE2-O 2.84Å; H312-H430 AromaticContact CE1-CE1 3.58Å; H312-H430 AromaticContact ND1-CE1 3.98Å |
| 313 | V | 71.3 | Confident | 81.4 | Confident | 37 Ų | 37 | 21.9 Ų | 21.9 | 22% | 0.224 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66 | -32 | 174.8 | 164.6 | 0 | 0 | 0 | 0 | 112.2 | T309 R310 N315 R602 | T309-V313 HydrophobicContact CG2-CG2 4.37Å; T309-V313 WeakPolarHBondContact O-CB 3.19Å; T309-V313 VanDerWaalsContact O-CG2 3.23Å; T309-V313 WeakPolarHBondContact O-CG2 3.32Å; T309-V313 PolarHBondContact O-N 3.38Å; R310-V313 PolarHBondContact O-N 3.07Å; V313-N315 VanDerWaalsContact C-N 3.32Å; V313-R602 HydrophobicContact CG1-CB 3.63Å; V313-R602 HydrophobicContact CG1-CG 4.27Å |
| 314 | L | 74.5 | Confident | 81.5 | Confident | 58 Ų | 58 | 19.8 Ų | 19.8 | 30% | 0.304 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -3.8 | 174.7 | -64 | 171.5 | 0 | 0 | 0 | 113 | L274 R310 L311 H312 V316 | L274-L314 HydrophobicContact CD2-CD1 3.65Å; R310-L314 HydrophobicContact CG-CD1 4.05Å; R310-L314 WeakPolarHBondContact O-CB 3.42Å; R310-L314 VanDerWaalsContact O-CG 3.28Å; R310-L314 WeakPolarHBondContact O-CG 3.31Å; R310-L314 PolarHBondContact O-N 3.28Å; L311-L314 CarbonylContact O-C 3.58Å; L311-L314 PolarHBondContact O-N 3.43Å; H312-L314 VanDerWaalsContact C-N 3.29Å; H312-L314 PolarHBondContact O-N 2.92Å; L314-V316 VanDerWaalsContact C-N 3.3Å; L314-V316 HydrophobicContact CB-CG2 3.75Å; L314-V316 PolarHBondContact O-N 3.27Å |
| 315 | N | 79.1 | Confident | 80.8 | Confident | 49 Ų | 49 | 23.2 Ų | 23.2 | 26% | 0.262 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 43.9 | -175.5 | -165.2 | 61.5 | 0 | 0 | 0 | 113.3 | P24 L311 H312 V313 P317 | P24-N315 VanDerWaalsContact CD-OD1 3.29Å; P24-N315 WeakPolarHBondContact CD-OD1 3.49Å; P24-N315 WeakPolarHBondContact CG-OD1 3.38Å; L311-N315 PolarHBondContact O-N 3.02Å; H312-N315 PolarHBondContact O-N 3.11Å; H312-N315 VanDerWaalsContact O-N 3.15Å; V313-N315 VanDerWaalsContact C-N 3.32Å; N315-P317 WeakPolarHBondContact O-CD 3.43Å |
| 316 | V | 84.7 | Confident | 79.8 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | trans | -104.1 | 108 | 179.8 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | V277 L288 L311 L314 | V277-V316 HydrophobicContact CG1-CG2 4.47Å; L288-V316 HydrophobicContact CB-CG1 4.06Å; L311-V316 HydrophobicContact CD2-CB 4.03Å; L311-V316 HydrophobicContact CD2-CG1 4.17Å; L311-V316 PolarHBondContact O-N 2.96Å; L314-V316 VanDerWaalsContact C-N 3.3Å; L314-V316 HydrophobicContact CB-CG2 3.75Å; L314-V316 PolarHBondContact O-N 3.27Å | ||
| 317 | P | 87.9 | Confident | 78.7 | Confident | 20 Ų | 20 | 22.4 Ų | 22.4 | 13% | 0.13 | 14% | 0.14 | C | C | . | . | trans | -71.2 | 135.7 | 172.7 | -12.5 | 28.9 | 0 | 0 | 0 | 110.3 | Y286 L288 N315 T350 | Y286-P317 WeakPolarHBondContact O-CD 3.38Å; L288-P317 PolarHBondContact N-O 2.87Å; N315-P317 WeakPolarHBondContact O-CD 3.43Å; P317-T350 VanDerWaalsContact CA-O 3.27Å; P317-T350 WeakPolarHBondContact CA-O 3.36Å; P317-T350 WeakPolarHBondContact CB-O 3.43Å | ||
| 318 | C | 91.2 | Very high | 77.4 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 113.5 | -179.6 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | L288 L311 F320 V346 A347 T350 G352 | L288-C318 HydrophobicContact CD2-CB 4.35Å; L311-C318 HydrophobicContact CD1-CB 4.18Å; C318-F320 VanDerWaalsContact SG-CZ 3.51Å; C318-V346 HydrophobicContact CB-CG1 4.44Å; C318-A347 VanDerWaalsContact O-CA 3.29Å; C318-A347 WeakPolarHBondContact O-CA 3.47Å; C318-T350 HydrophobicContact CB-CG2 4.32Å; C318-T350 PolarHBondContact N-OG1 2.78Å; C318-T350 PolarHBondContact O-OG1 3.46Å; C318-G352 WeakPolarHBondContact O-CA 3.38Å |
| 319 | S | 92.2 | Very high | 75.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 145.8 | 179.6 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | H287 L288 F289 V290 G352 R353 | H287-S319 PolarHBondContact CE1-OG 2.65Å; H287-S319 PolarHBondContact NE2-OG 3Å; L288-S319 PolarHBondContact O-N 2.77Å; F289-S319 CarbonylContact C-O 3.54Å; F289-S319 WeakPolarHBondContact CA-O 3.3Å; V290-S319 PolarHBondContact N-O 3.02Å; S319-G352 WeakPolarHBondContact OG-CA 3.42Å; S319-R353 CarbonylContact C-O 3.41Å; S319-R353 WeakPolarHBondContact CA-O 3.22Å; S319-R353 WeakPolarHBondContact CB-O 3.46Å; S319-R353 PolarHBondContact OG-N 3.18Å |
| 320 | F | 92 | Very high | 74.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.1 | -178.5 | -65.3 | -84.7 | 0 | 0 | 0 | 110.9 | L266 V290 T292 C318 L343 V346 A347 R353 Y354 F355 | L266-F320 HydrophobicContact CD1-CE1 3.85Å; L266-F320 HydrophobicContact CD1-CZ 4.08Å; V290-F320 HydrophobicContact CB-CD1 3.62Å; V290-F320 HydrophobicContact CB-CE1 3.71Å; V290-F320 HydrophobicContact CG1-CD1 4Å; V290-F320 HydrophobicContact CG1-CE1 4.03Å; V290-F320 HydrophobicContact CG2-CD1 4.35Å; V290-F320 HydrophobicContact CG2-CE1 3.98Å; V290-F320 CarbonylContact O-C 3.21Å; V290-F320 VanDerWaalsContact O-CA 3.29Å; V290-F320 WeakPolarHBondContact O-CA 3.44Å; T292-F320 HydrophobicContact CG2-CD1 4.43Å; C318-F320 VanDerWaalsContact SG-CZ 3.51Å; F320-L343 HydrophobicContact CB-CB 4.08Å; F320-L343 HydrophobicContact CB-CD1 4.31Å; F320-L343 HydrophobicContact CD1-CB 4.34Å; F320-L343 HydrophobicContact CD1-CD1 4.35Å; F320-L343 HydrophobicContact CD1-CD2 3.53Å; F320-L343 HydrophobicContact CD1-CG 4.27Å; F320-L343 HydrophobicContact CD2-CB 3.97Å; F320-L343 HydrophobicContact CD2-CD2 4.36Å; F320-L343 VanDerWaalsContact CD2-O 3.31Å; F320-L343 WeakPolarHBondContact CD2-O 3.43Å; F320-L343 HydrophobicContact CE1-CD2 3.59Å; F320-L343 HydrophobicContact CE2-CD2 4.42Å; F320-L343 HydrophobicContact CG-CB 3.86Å; F320-L343 HydrophobicContact CG-CD1 4.41Å; F320-L343 HydrophobicContact CG-CD2 3.94Å; F320-L343 HydrophobicContact CG-CG 4.28Å; F320-L343 HydrophobicContact CZ-CD2 4.05Å; F320-V346 HydrophobicContact CE2-CB 3.82Å; F320-V346 HydrophobicContact CE2-CG1 3.74Å; F320-V346 HydrophobicContact CZ-CB 4.2Å; F320-V346 HydrophobicContact CZ-CG1 3.89Å; F320-A347 HydrophobicContact CD2-CB 4.19Å; F320-R353 PolarHBondContact N-O 3.3Å; F320-Y354 HydrophobicContact CB-CD2 4.17Å; F320-Y354 CarbonylContact O-C 3.53Å; F320-Y354 WeakPolarHBondContact O-CA 3.5Å; F320-F355 PolarHBondContact O-N 3.05Å |
| 321 | I | 91 | Very high | 73.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 103.8 | 167.9 | -51.2 | 178.7 | 0 | 0 | 0 | 106.6 | A108 A112 F289 V290 I291 T292 F355 Y372 | A108-I321 HydrophobicContact CB-CG2 4.36Å; A112-I321 HydrophobicContact CB-CD1 3.8Å; F289-I321 HydrophobicContact CD1-CD1 4.28Å; F289-I321 HydrophobicContact CD1-CG1 4.35Å; V290-I321 PolarHBondContact O-N 3.24Å; I291-I321 WeakPolarHBondContact CA-O 3.46Å; I291-I321 HydrophobicContact CD1-CD1 3.98Å; I291-I321 HydrophobicContact CG1-CB 4.17Å; I291-I321 HydrophobicContact CG1-CD1 4.01Å; I291-I321 HydrophobicContact CG1-CG1 4.34Å; I291-I321 HydrophobicContact CG2-CB 4.32Å; T292-I321 PolarHBondContact N-O 3.36Å; I321-F355 HydrophobicContact CG1-CB 4.36Å; I321-F355 HydrophobicContact CG1-CD2 4.16Å; I321-F355 HydrophobicContact CG2-CB 4.43Å; I321-Y372 HydrophobicContact CD1-CD1 4.5Å; I321-Y372 HydrophobicContact CD1-CE1 3.57Å; I321-Y372 HydrophobicContact CG1-CE1 4.13Å |
| 322 | Q | 88.8 | Confident | 72.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.2 | 175.8 | -173.3 | 175.7 | -17.2 | 0 | 0 | 109.9 | T292 T324 S340 Y354 F355 L356 Y357 | T292-Q322 VanDerWaalsContact O-CA 3.32Å; T292-Q322 WeakPolarHBondContact O-CA 3.19Å; Q322-T324 PolarHBondContact NE2-O 3.05Å; Q322-T324 PolarHBondContact NE2-OG1 3.38Å; Q322-T324 VanDerWaalsContact NE2-OG1 3.09Å; Q322-S340 PolarHBondContact NE2-OG 2.99Å; Q322-S340 PolarHBondContact OE1-OG 2.7Å; Q322-S340 VanDerWaalsContact OE1-OG 3.1Å; Q322-Y354 HydrophobicContact CB-CE2 3.85Å; Q322-Y354 VanDerWaalsContact OE1-CE2 3.25Å; Q322-Y354 PolarHBondContact OE1-OH 3.35Å; Q322-F355 PolarHBondContact N-O 3.11Å; Q322-L356 HydrophobicContact CB-CD1 4.35Å; Q322-L356 HydrophobicContact CG-CD1 4.48Å; Q322-Y357 PolarHBondContact O-N 3.47Å |
| 323 | I | 84.1 | Confident | 71.2 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -80.2 | -32.9 | -177.9 | -57.6 | 161 | 0 | 0 | 0 | 111.5 | I101 R104 V105 I291 T292 | I101-I323 HydrophobicContact CG2-CD1 4.26Å; I101-I323 HydrophobicContact CG2-CG2 4.3Å; R104-I323 HydrophobicContact CB-CG2 3.5Å; R104-I323 VanDerWaalsContact CB-CG2 3.5Å; R104-I323 HydrophobicContact CG-CG2 4.42Å; V105-I323 HydrophobicContact CB-CD1 3.94Å; V105-I323 HydrophobicContact CG2-CD1 3.34Å; I291-I323 HydrophobicContact CG2-CD1 4.03Å; I291-I323 HydrophobicContact CG2-CG1 4.08Å; T292-I323 PolarHBondContact O-N 2.96Å | ||
| 324 | T | 73.2 | Confident | 70.8 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -89.4 | 142.4 | -175.5 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | I101 D293 Q322 G326 Y328 L356 | I101-T324 HydrophobicContact CD1-CG2 4.21Å; D293-T324 HydrophobicContact CB-CG2 3.81Å; D293-T324 WeakPolarHBondContact O-CG2 3.15Å; D293-T324 PolarHBondContact O-OG1 2.95Å; Q322-T324 PolarHBondContact NE2-O 3.05Å; Q322-T324 PolarHBondContact NE2-OG1 3.38Å; Q322-T324 VanDerWaalsContact NE2-OG1 3.09Å; T324-G326 VanDerWaalsContact C-N 3.27Å; T324-G326 PolarHBondContact O-N 3.33Å; T324-Y328 HydrophobicContact CG2-CE2 4.05Å; T324-L356 WeakPolarHBondContact O-CD1 3.39Å |
| 325 | D | 64.5 | Low | 70.2 | Confident | 76 Ų | 76 | 44 Ų | 44 | 41% | 0.406 | 26% | 0.257 | S | S | . | . | trans | -88 | 47.1 | -169.3 | -71.9 | -20.5 | 0 | 0 | 0 | 114.7 | G327 S358 | D325-G327 WeakPolarHBondContact O-CA 3.25Å; D325-G327 PolarHBondContact O-N 3.23Å; D325-S358 WeakPolarHBondContact OD1-CB 3.42Å; D325-S358 PolarHBondContact OD1-OG 2.94Å; D325-S358 WeakPolarHBondContact OD2-CB 3.11Å; D325-S358 PolarHBondContact OD2-OG 3.44Å | ||
| 326 | G | 53.9 | Low | 69.5 | Low | 39 Ų | 39 | 47.3 Ų | 47.3 | 40% | 0.402 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 53.9 | 19.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | T324 | T324-G326 VanDerWaalsContact C-N 3.27Å; T324-G326 PolarHBondContact O-N 3.33Å |
| 327 | G | 51.8 | Low | 68.9 | Low | 52 Ų | 52 | 51.6 Ų | 51.6 | 54% | 0.536 | 29% | 0.291 | S | S | . | . | trans | -146 | 48.4 | -155.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | D325 E329 | D325-G327 WeakPolarHBondContact O-CA 3.25Å; D325-G327 PolarHBondContact O-N 3.23Å; G327-E329 PolarHBondContact O-N 3.2Å; G327-E329 VanDerWaalsContact O-N 3.14Å | ||
| 328 | Y | 51.4 | Low | 68.4 | Low | 36 Ų | 36 | 51.4 Ų | 51.4 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | trans | -65.2 | 106.7 | 154.4 | -82.6 | -82.2 | 0 | 0 | 0 | 107.5 | V295 T324 S330 Q332 A333 P338 | V295-Y328 HydrophobicContact CG2-CE2 4.21Å; T324-Y328 HydrophobicContact CG2-CE2 4.05Å; Y328-S330 PolarHBondContact O-N 3.03Å; Y328-Q332 HydrophobicContact CD1-CB 3.93Å; Y328-Q332 HydrophobicContact CE1-CB 4.4Å; Y328-A333 HydrophobicContact CD1-CB 3.7Å; Y328-A333 HydrophobicContact CE1-CB 3.19Å; Y328-P338 VanDerWaalsContact CD2-CD 3.43Å; Y328-P338 HydrophobicContact CD2-CG 3.84Å; Y328-P338 HydrophobicContact CE2-CG 4.22Å | ||
| 329 | E | 49.9 | Very low | 67.9 | Low | 117 Ų | 117 | 53.1 Ų | 53.1 | 55% | 0.547 | 30% | 0.303 | S | S | . | . | trans | -56.2 | 129.4 | 148.6 | -59.4 | -174.1 | 133.2 | 0 | 0 | 106 | G327 H331 Q332 | G327-E329 PolarHBondContact O-N 3.2Å; G327-E329 VanDerWaalsContact O-N 3.14Å; E329-H331 WeakPolarHBondContact CB-CE1 3.37Å; E329-H331 PolarHBondContact O-N 3.4Å; E329-H331 IonicContact OE2-CE1 2.65Å; E329-H331 PolarHBondContact OE2-CE1 2.77Å; E329-H331 IonicContact OE2-NE2 3.35Å; E329-Q332 HydrophobicContact CB-CG 4.27Å; E329-Q332 PolarHBondContact O-N 2.96Å; E329-Q332 PolarHBondContact OE2-NE2 3.3Å | ||
| 330 | S | 47.6 | Very low | 67.4 | Low | 96 Ų | 96 | 53.6 Ų | 53.6 | 67% | 0.671 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -10 | -161.3 | 48.1 | 0 | 0 | 0 | 0 | 115.7 | Y328 G335 | Y328-S330 PolarHBondContact O-N 3.03Å; S330-G335 WeakPolarHBondContact O-CA 3.43Å; S330-G335 PolarHBondContact O-N 3.36Å |
| 331 | H | 55 | Low | 66.8 | Low | 130 Ų | 130 | 58.2 Ų | 58.2 | 60% | 0.602 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.8 | 175.3 | 63.2 | -94.9 | 0 | 0 | 0 | 114.8 | E329 | E329-H331 WeakPolarHBondContact CB-CE1 3.37Å; E329-H331 PolarHBondContact O-N 3.4Å; E329-H331 IonicContact OE2-CE1 2.65Å; E329-H331 PolarHBondContact OE2-CE1 2.77Å; E329-H331 IonicContact OE2-NE2 3.35Å |
| 332 | Q | 54.4 | Low | 66.5 | Low | 47 Ų | 47 | 58.4 Ų | 58.4 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -17 | -166.6 | -62.6 | -174.2 | 15.3 | 0 | 0 | 115.9 | Y328 E329 | Y328-Q332 HydrophobicContact CD1-CB 3.93Å; Y328-Q332 HydrophobicContact CE1-CB 4.4Å; E329-Q332 HydrophobicContact CB-CG 4.27Å; E329-Q332 PolarHBondContact O-N 2.96Å; E329-Q332 PolarHBondContact OE2-NE2 3.3Å |
| 333 | A | 56.6 | Low | 66.4 | Low | 6 Ų | 6 | 58.4 Ų | 58.4 | 5% | 0.05 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | 48.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y328 G335 R336 | Y328-A333 HydrophobicContact CD1-CB 3.7Å; Y328-A333 HydrophobicContact CE1-CB 3.19Å; A333-G335 PolarHBondContact O-N 3.39Å; A333-G335 VanDerWaalsContact O-N 3.09Å; A333-R336 HydrophobicContact CB-CB 4.45Å; A333-R336 WeakPolarHBondContact O-CB 3.34Å; A333-R336 PolarHBondContact O-N 3.16Å |
| 334 | F | 62.5 | Low | 66.4 | Low | 201 Ų | 201 | 61.2 Ų | 61.2 | 88% | 0.882 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 36.2 | 177.4 | -55.8 | -82.8 | 0 | 0 | 0 | 113.6 | ||
| 335 | G | 62.2 | Low | 67 | Low | 48 Ų | 48 | 61.7 Ų | 61.7 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -4.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | S330 A333 | S330-G335 WeakPolarHBondContact O-CA 3.43Å; S330-G335 PolarHBondContact O-N 3.36Å; A333-G335 PolarHBondContact O-N 3.39Å; A333-G335 VanDerWaalsContact O-N 3.09Å |
| 336 | R | 65.2 | Low | 68.1 | Low | 118 Ų | 118 | 58.1 Ų | 58.1 | 45% | 0.445 | 32% | 0.324 | S | S | . | . | trans | -73.1 | 135.7 | 174.1 | -60.4 | -166.4 | -170.6 | -100.1 | 9.8 | 110.9 | E263 V295 A333 | E263-R336 IonicContact OE2-NH2 3.14Å; E263-R336 PolarHBondContact OE2-NH2 3.45Å; V295-R336 HydrophobicContact CG1-CB 3.83Å; V295-R336 HydrophobicContact CG1-CG 4.45Å; A333-R336 HydrophobicContact CB-CB 4.45Å; A333-R336 WeakPolarHBondContact O-CB 3.34Å; A333-R336 PolarHBondContact O-N 3.16Å | ||
| 337 | T | 72.1 | Confident | 69.8 | Low | 92 Ų | 92 | 56.4 Ų | 56.4 | 56% | 0.564 | 31% | 0.306 | S | S | * | . | trans | -123.1 | 142.3 | -178.1 | 52.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 338 | P | 77.2 | Confident | 71.3 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | trans | -81.3 | 128.1 | -175.3 | 30.7 | -34.1 | 0 | 0 | 0 | 111.6 | G294 V295 Y328 S340 | G294-P338 CarbonylContact O-C 3.53Å; G294-P338 WeakPolarHBondContact O-CA 3.42Å; V295-P338 HydrophobicContact CG2-CB 4.42Å; Y328-P338 VanDerWaalsContact CD2-CD 3.43Å; Y328-P338 HydrophobicContact CD2-CG 3.84Å; Y328-P338 HydrophobicContact CE2-CG 4.22Å; P338-S340 PolarHBondContact O-N 3.47Å; P338-S340 PolarHBondContact O-OG 3.04Å | ||
| 339 | S | 81.1 | Confident | 72.9 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | trans | -74.6 | 59.8 | -179.5 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | G294 L296 E341 L342 L343 | G294-S339 PolarHBondContact O-N 2.96Å; L296-S339 WeakPolarHBondContact O-CB 3.37Å; L296-S339 PolarHBondContact O-OG 2.79Å; S339-E341 PolarHBondContact O-N 2.77Å; S339-L342 VanDerWaalsContact O-CB 3.26Å; S339-L342 WeakPolarHBondContact O-CB 3.35Å; S339-L342 PolarHBondContact O-N 3.24Å; S339-L343 PolarHBondContact O-N 3.28Å | ||
| 340 | S | 81.5 | Confident | 74.5 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.3 | -33.8 | -174.3 | -54.1 | 0 | 0 | 0 | 0 | 112 | Q322 P338 Q344 | Q322-S340 PolarHBondContact NE2-OG 2.99Å; Q322-S340 PolarHBondContact OE1-OG 2.7Å; Q322-S340 VanDerWaalsContact OE1-OG 3.1Å; P338-S340 PolarHBondContact O-N 3.47Å; P338-S340 PolarHBondContact O-OG 3.04Å; S340-Q344 VanDerWaalsContact O-CG 3.29Å; S340-Q344 WeakPolarHBondContact O-CG 3.38Å; S340-Q344 PolarHBondContact O-N 2.81Å; S340-Q344 VanDerWaalsContact O-N 3.12Å |
| 341 | E | 79.2 | Confident | 76.2 | Confident | 98 Ų | 98 | 50.8 Ų | 50.8 | 46% | 0.458 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 173.4 | -64.8 | 73.9 | -166 | 0 | 0 | 112 | S339 Q344 F345 Y451 | S339-E341 PolarHBondContact O-N 2.77Å; E341-Q344 PolarHBondContact O-N 2.7Å; E341-F345 VanDerWaalsContact O-CB 3.27Å; E341-F345 WeakPolarHBondContact O-CB 3.46Å; E341-F345 PolarHBondContact O-N 2.8Å; E341-Y451 HydrophobicContact CB-CD1 4.3Å; E341-Y451 HydrophobicContact CB-CE1 4.02Å |
| 342 | L | 84.2 | Confident | 77.7 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -49.6 | 178 | 177 | 52.6 | 0 | 0 | 0 | 110.5 | L266 L298 L304 S339 Q344 F345 V346 Y451 | L266-L342 HydrophobicContact CD2-CD1 4.23Å; L266-L342 HydrophobicContact CD2-CD2 3.84Å; L266-L342 HydrophobicContact CD2-CG 3.94Å; L298-L342 HydrophobicContact CD1-CD1 3.62Å; L298-L342 HydrophobicContact CD1-CD2 3.92Å; L298-L342 HydrophobicContact CD1-CG 4.45Å; L298-L342 HydrophobicContact CG-CD1 4.42Å; L298-L342 HydrophobicContact CG-CD2 3.91Å; L304-L342 HydrophobicContact CD1-CD1 4.45Å; S339-L342 VanDerWaalsContact O-CB 3.26Å; S339-L342 WeakPolarHBondContact O-CB 3.35Å; S339-L342 PolarHBondContact O-N 3.24Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-Q344 PolarHBondContact O-N 3.24Å; L342-F345 PolarHBondContact O-N 3.3Å; L342-V346 HydrophobicContact CD1-CG2 3.8Å; L342-V346 WeakPolarHBondContact O-CG2 3.36Å; L342-V346 PolarHBondContact O-N 2.91Å; L342-Y451 VanDerWaalsContact CA-OH 3.23Å; L342-Y451 WeakPolarHBondContact CA-OH 3.42Å; L342-Y451 WeakPolarHBondContact CB-OH 3.24Å; L342-Y451 VanDerWaalsContact CD1-OH 3.25Å; L342-Y451 WeakPolarHBondContact CD1-OH 3.39Å |
| 343 | L | 86.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | -179.2 | -56.1 | -172.8 | 0 | 0 | 0 | 111.3 | T292 L296 F320 S339 A347 Y354 | T292-L343 HydrophobicContact CG2-CD1 3.83Å; L296-L343 HydrophobicContact CD1-CD2 4.05Å; F320-L343 HydrophobicContact CB-CB 4.08Å; F320-L343 HydrophobicContact CB-CD1 4.31Å; F320-L343 HydrophobicContact CD1-CB 4.34Å; F320-L343 HydrophobicContact CD1-CD1 4.35Å; F320-L343 HydrophobicContact CD1-CD2 3.53Å; F320-L343 HydrophobicContact CD1-CG 4.27Å; F320-L343 HydrophobicContact CD2-CB 3.97Å; F320-L343 HydrophobicContact CD2-CD2 4.36Å; F320-L343 VanDerWaalsContact CD2-O 3.31Å; F320-L343 WeakPolarHBondContact CD2-O 3.43Å; F320-L343 HydrophobicContact CE1-CD2 3.59Å; F320-L343 HydrophobicContact CE2-CD2 4.42Å; F320-L343 HydrophobicContact CG-CB 3.86Å; F320-L343 HydrophobicContact CG-CD1 4.41Å; F320-L343 HydrophobicContact CG-CD2 3.94Å; F320-L343 HydrophobicContact CG-CG 4.28Å; F320-L343 HydrophobicContact CZ-CD2 4.05Å; S339-L343 PolarHBondContact O-N 3.28Å; L343-A347 VanDerWaalsContact O-CB 3.26Å; L343-A347 WeakPolarHBondContact O-CB 3.47Å; L343-A347 PolarHBondContact O-N 2.75Å; L343-Y354 HydrophobicContact CB-CD2 3.73Å; L343-Y354 HydrophobicContact CB-CE2 3.99Å; L343-Y354 HydrophobicContact CD1-CE2 4.18Å |
| 344 | Q | 85.3 | Confident | 80.7 | Confident | 59 Ų | 59 | 44.9 Ų | 44.9 | 28% | 0.276 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 174.5 | -71 | 174.3 | 42.3 | 0 | 0 | 112.4 | S340 E341 L342 R348 Y354 | S340-Q344 VanDerWaalsContact O-CG 3.29Å; S340-Q344 WeakPolarHBondContact O-CG 3.38Å; S340-Q344 PolarHBondContact O-N 2.81Å; S340-Q344 VanDerWaalsContact O-N 3.12Å; E341-Q344 PolarHBondContact O-N 2.7Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-Q344 PolarHBondContact O-N 3.24Å; Q344-R348 WeakPolarHBondContact O-CB 3.24Å; Q344-R348 PolarHBondContact O-N 2.91Å; Q344-Y354 HydrophobicContact CG-CD1 3.67Å; Q344-Y354 HydrophobicContact CG-CD2 3.96Å; Q344-Y354 HydrophobicContact CG-CE1 4.05Å; Q344-Y354 HydrophobicContact CG-CE2 4.32Å; Q344-Y354 HydrophobicContact CG-CG 3.61Å |
| 345 | F | 85.3 | Confident | 81.9 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.2 | -50.2 | 177 | 172 | -103.6 | 0 | 0 | 0 | 111.7 | L304 L308 E341 L342 A347 R348 V349 A448 W449 Y451 | L304-F345 HydrophobicContact CD2-CE1 4.07Å; L308-F345 HydrophobicContact CD1-CE1 3.78Å; L308-F345 HydrophobicContact CD1-CZ 4.25Å; E341-F345 VanDerWaalsContact O-CB 3.27Å; E341-F345 WeakPolarHBondContact O-CB 3.46Å; E341-F345 PolarHBondContact O-N 2.8Å; L342-F345 PolarHBondContact O-N 3.3Å; F345-A347 PolarHBondContact O-N 3.05Å; F345-R348 PolarHBondContact O-N 3.2Å; F345-V349 HydrophobicContact CD2-CG2 4.14Å; F345-V349 HydrophobicContact CE1-CG2 4.11Å; F345-V349 HydrophobicContact CE2-CG2 3.68Å; F345-V349 HydrophobicContact CZ-CG2 3.64Å; F345-V349 WeakPolarHBondContact O-CG2 3.45Å; F345-V349 PolarHBondContact O-N 2.97Å; F345-A448 HydrophobicContact CD2-CB 4.45Å; F345-A448 HydrophobicContact CE2-CB 3.9Å; F345-W449 WeakPolarHBondContact CZ-O 3.48Å; F345-Y451 HydrophobicContact CB-CD1 4.11Å; F345-Y451 HydrophobicContact CB-CE1 3.86Å; F345-Y451 HydrophobicContact CG-CD1 4.36Å; F345-Y451 HydrophobicContact CG-CE1 4.28Å |
| 346 | V | 88 | Confident | 82.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 179.7 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | L266 L304 L308 C318 F320 L342 V349 T350 | L266-V346 HydrophobicContact CD2-CG2 4.19Å; L304-V346 HydrophobicContact CD1-CG2 4.03Å; L308-V346 HydrophobicContact CD2-CB 4.46Å; L308-V346 HydrophobicContact CD2-CG1 4.02Å; L308-V346 HydrophobicContact CD2-CG2 4.32Å; C318-V346 HydrophobicContact CB-CG1 4.44Å; F320-V346 HydrophobicContact CE2-CB 3.82Å; F320-V346 HydrophobicContact CE2-CG1 3.74Å; F320-V346 HydrophobicContact CZ-CB 4.2Å; F320-V346 HydrophobicContact CZ-CG1 3.89Å; L342-V346 HydrophobicContact CD1-CG2 3.8Å; L342-V346 WeakPolarHBondContact O-CG2 3.36Å; L342-V346 PolarHBondContact O-N 2.91Å; V346-V349 PolarHBondContact O-N 3.02Å; V346-T350 WeakPolarHBondContact O-CB 3.46Å; V346-T350 WeakPolarHBondContact O-CG2 3.35Å; V346-T350 PolarHBondContact O-N 2.68Å; V346-T350 VanDerWaalsContact O-N 3.1Å; V346-T350 PolarHBondContact O-OG1 2.81Å |
| 347 | A | 88.2 | Confident | 83.5 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.3 | -50.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C318 F320 L343 F345 V349 T350 Q351 G352 | C318-A347 VanDerWaalsContact O-CA 3.29Å; C318-A347 WeakPolarHBondContact O-CA 3.47Å; F320-A347 HydrophobicContact CD2-CB 4.19Å; L343-A347 VanDerWaalsContact O-CB 3.26Å; L343-A347 WeakPolarHBondContact O-CB 3.47Å; L343-A347 PolarHBondContact O-N 2.75Å; F345-A347 PolarHBondContact O-N 3.05Å; A347-V349 PolarHBondContact O-N 3.34Å; A347-T350 PolarHBondContact O-N 3.17Å; A347-T350 PolarHBondContact O-OG1 3.18Å; A347-Q351 CarbonylContact O-C 3.58Å; A347-Q351 PolarHBondContact O-N 3.15Å; A347-G352 PolarHBondContact O-N 3.1Å |
| 348 | R | 84.3 | Confident | 83.4 | Confident | 101 Ų | 101 | 30.1 Ų | 30.1 | 38% | 0.381 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.6 | -38.8 | 179.8 | 179.3 | 176.6 | 166.8 | -158.8 | -12.3 | 113 | Q344 F345 D454 | Q344-R348 WeakPolarHBondContact O-CB 3.24Å; Q344-R348 PolarHBondContact O-N 2.91Å; F345-R348 PolarHBondContact O-N 3.2Å; R348-D454 IonicContact CZ-OD1 3.22Å; R348-D454 IonicContact CZ-OD2 2.98Å; R348-D454 IonicContact NH1-OD2 3.94Å; R348-D454 IonicContact NH2-OD1 2.88Å; R348-D454 PolarHBondContact NH2-OD1 2.69Å; R348-D454 IonicContact NH2-OD2 3.69Å; R348-D454 PolarHBondContact NH2-OD2 3.13Å |
| 349 | V | 83.4 | Confident | 82.8 | Confident | 12 Ų | 12 | 31 Ų | 31 | 7% | 0.073 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.3 | -39.5 | 177 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L308 F345 V346 A347 H430 A448 | L308-V349 HydrophobicContact CB-CG1 4.39Å; L308-V349 HydrophobicContact CD1-CG1 4.24Å; L308-V349 HydrophobicContact CD1-CG2 4.48Å; L308-V349 HydrophobicContact CD2-CB 4.06Å; L308-V349 HydrophobicContact CD2-CG1 3.84Å; L308-V349 HydrophobicContact CG-CG1 4.38Å; F345-V349 HydrophobicContact CD2-CG2 4.14Å; F345-V349 HydrophobicContact CE1-CG2 4.11Å; F345-V349 HydrophobicContact CE2-CG2 3.68Å; F345-V349 HydrophobicContact CZ-CG2 3.64Å; F345-V349 WeakPolarHBondContact O-CG2 3.45Å; F345-V349 PolarHBondContact O-N 2.97Å; V346-V349 PolarHBondContact O-N 3.02Å; A347-V349 PolarHBondContact O-N 3.34Å; V349-H430 PolarHBondContact O-NE2 2.92Å; V349-A448 HydrophobicContact CG2-CB 3.92Å |
| 350 | T | 85.2 | Confident | 81.5 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -91.5 | 2 | -174.1 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | L308 L311 P317 C318 V346 A347 G352 | L308-T350 HydrophobicContact CD2-CG2 4.06Å; L311-T350 HydrophobicContact CB-CG2 4.05Å; L311-T350 HydrophobicContact CD1-CG2 3.81Å; P317-T350 VanDerWaalsContact CA-O 3.27Å; P317-T350 WeakPolarHBondContact CA-O 3.36Å; P317-T350 WeakPolarHBondContact CB-O 3.43Å; C318-T350 HydrophobicContact CB-CG2 4.32Å; C318-T350 PolarHBondContact N-OG1 2.78Å; C318-T350 PolarHBondContact O-OG1 3.46Å; V346-T350 WeakPolarHBondContact O-CB 3.46Å; V346-T350 WeakPolarHBondContact O-CG2 3.35Å; V346-T350 PolarHBondContact O-N 2.68Å; V346-T350 VanDerWaalsContact O-N 3.1Å; V346-T350 PolarHBondContact O-OG1 2.81Å; A347-T350 PolarHBondContact O-N 3.17Å; A347-T350 PolarHBondContact O-OG1 3.18Å; T350-G352 PolarHBondContact O-N 2.96Å |
| 351 | Q | 82.5 | Confident | 80.1 | Confident | 62 Ų | 62 | 40 Ų | 40 | 29% | 0.29 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 11.9 | -169.5 | -49.6 | -170.5 | -5.9 | 0 | 0 | 115.5 | A347 H430 | A347-Q351 CarbonylContact O-C 3.58Å; A347-Q351 PolarHBondContact O-N 3.15Å; Q351-H430 VanDerWaalsContact CG-CE1 3.49Å; Q351-H430 WeakPolarHBondContact CG-CE1 3.2Å; Q351-H430 PolarHBondContact NE2-CE1 3.36Å; Q351-H430 VanDerWaalsContact NE2-CE1 3.34Å; Q351-H430 PolarHBondContact NE2-ND1 3.04Å |
| 352 | G | 86.9 | Confident | 78.9 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | -73.9 | -176.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C318 S319 A347 T350 | C318-G352 WeakPolarHBondContact O-CA 3.38Å; S319-G352 WeakPolarHBondContact OG-CA 3.42Å; A347-G352 PolarHBondContact O-N 3.1Å; T350-G352 PolarHBondContact O-N 2.96Å | ||
| 353 | R | 86.7 | Confident | 77.2 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | trans | -126.4 | 150 | 178.1 | -63.1 | -165.6 | -175.5 | 171 | -7.8 | 112.1 | S319 F320 F355 E371 Q374 A375 | S319-R353 CarbonylContact C-O 3.41Å; S319-R353 WeakPolarHBondContact CA-O 3.22Å; S319-R353 WeakPolarHBondContact CB-O 3.46Å; S319-R353 PolarHBondContact OG-N 3.18Å; F320-R353 PolarHBondContact N-O 3.3Å; R353-F355 HydrophobicContact CB-CD2 4.45Å; R353-F355 HydrophobicContact CB-CE1 4.4Å; R353-F355 HydrophobicContact CB-CE2 3.64Å; R353-F355 HydrophobicContact CB-CZ 3.62Å; R353-F355 HydrophobicContact CG-CZ 4.45Å; R353-E371 PolarHBondContact NH1-O 3.5Å; R353-E371 VanDerWaalsContact NH1-O 3.13Å; R353-Q374 VanDerWaalsContact NH1-CB 3.26Å; R353-A375 HydrophobicContact CB-CB 4.22Å; R353-A375 HydrophobicContact CG-CB 4.03Å | ||
| 354 | Y | 87.6 | Confident | 75.3 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.9 | 173.5 | 163.2 | -84.9 | 0 | 0 | 0 | 109.7 | F320 Q322 L343 Q344 N388 A391 | F320-Y354 HydrophobicContact CB-CD2 4.17Å; F320-Y354 CarbonylContact O-C 3.53Å; F320-Y354 WeakPolarHBondContact O-CA 3.5Å; Q322-Y354 HydrophobicContact CB-CE2 3.85Å; Q322-Y354 VanDerWaalsContact OE1-CE2 3.25Å; Q322-Y354 PolarHBondContact OE1-OH 3.35Å; L343-Y354 HydrophobicContact CB-CD2 3.73Å; L343-Y354 HydrophobicContact CB-CE2 3.99Å; L343-Y354 HydrophobicContact CD1-CE2 4.18Å; Q344-Y354 HydrophobicContact CG-CD1 3.67Å; Q344-Y354 HydrophobicContact CG-CD2 3.96Å; Q344-Y354 HydrophobicContact CG-CE1 4.05Å; Q344-Y354 HydrophobicContact CG-CE2 4.32Å; Q344-Y354 HydrophobicContact CG-CG 3.61Å; Y354-N388 WeakPolarHBondContact CB-ND2 3.37Å; Y354-N388 PolarHBondContact N-ND2 2.93Å; Y354-N388 PolarHBondContact O-ND2 3.03Å; Y354-A391 HydrophobicContact CE1-CB 4.18Å |
| 355 | F | 86.2 | Confident | 73.7 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 4% | 0.044 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.3 | -177.9 | -59 | -80.5 | 0 | 0 | 0 | 109.7 | F289 F320 I321 Q322 R353 M361 E371 Y372 A375 | F289-F355 AromaticContact CE1-CE2 3.98Å; F289-F355 HydrophobicContact CE1-CE2 3.98Å; F320-F355 PolarHBondContact O-N 3.05Å; I321-F355 HydrophobicContact CG1-CB 4.36Å; I321-F355 HydrophobicContact CG1-CD2 4.16Å; I321-F355 HydrophobicContact CG2-CB 4.43Å; Q322-F355 PolarHBondContact N-O 3.11Å; R353-F355 HydrophobicContact CB-CD2 4.45Å; R353-F355 HydrophobicContact CB-CE1 4.4Å; R353-F355 HydrophobicContact CB-CE2 3.64Å; R353-F355 HydrophobicContact CB-CZ 3.62Å; R353-F355 HydrophobicContact CG-CZ 4.45Å; F355-M361 HydrophobicContact CD1-CE 3.36Å; F355-M361 HydrophobicContact CE1-CE 3.52Å; F355-M361 HydrophobicContact CG-CE 4.32Å; F355-E371 HydrophobicContact CE1-CB 3.86Å; F355-Y372 HydrophobicContact CD1-CE1 4.4Å; F355-Y372 HydrophobicContact CD2-CD1 4.41Å; F355-Y372 AromaticContact CD2-CE1 3.97Å; F355-Y372 HydrophobicContact CD2-CE1 3.97Å; F355-Y372 HydrophobicContact CE2-CD1 4.1Å; F355-Y372 HydrophobicContact CE2-CE1 4.13Å; F355-Y372 HydrophobicContact CG-CE1 4.11Å; F355-Y372 HydrophobicContact CZ-CD1 4.17Å; F355-Y372 HydrophobicContact CZ-CE1 4.39Å; F355-A375 HydrophobicContact CE2-CB 4.36Å; F355-A375 HydrophobicContact CZ-CB 4.11Å |
| 356 | L | 83.5 | Confident | 71.9 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.7 | 171.7 | -161.9 | 82.7 | 0 | 0 | 0 | 108.2 | Q322 T324 S358 S359 | Q322-L356 HydrophobicContact CB-CD1 4.35Å; Q322-L356 HydrophobicContact CG-CD1 4.48Å; T324-L356 WeakPolarHBondContact O-CD1 3.39Å; L356-S358 VanDerWaalsContact C-N 3.35Å; L356-S358 PolarHBondContact O-N 2.84Å; L356-S359 WeakPolarHBondContact O-CB 2.94Å; L356-S359 PolarHBondContact O-N 3.48Å |
| 357 | Y | 79.3 | Confident | 70.2 | Confident | 57 Ų | 57 | 66 Ų | 66 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -37.7 | -166.5 | -177.8 | -123.1 | 0 | 0 | 0 | 113.8 | A108 D111 Q322 S359 | A108-Y357 HydrophobicContact CB-CD1 4.35Å; A108-Y357 HydrophobicContact CB-CD2 3.73Å; A108-Y357 HydrophobicContact CB-CE1 4.39Å; A108-Y357 HydrophobicContact CB-CE2 3.81Å; A108-Y357 HydrophobicContact CB-CG 4.04Å; D111-Y357 HydrophobicContact CB-CE2 4.36Å; D111-Y357 WeakPolarHBondContact OD2-CE2 3.42Å; D111-Y357 PolarHBondContact OD2-OH 3.49Å; Q322-Y357 PolarHBondContact O-N 3.47Å; Y357-S359 PolarHBondContact O-N 3.4Å |
| 358 | S | 68.4 | Low | 69.1 | Low | 46 Ų | 46 | 71 Ų | 71 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.4 | 176.1 | 64.5 | 0 | 0 | 0 | 0 | 115.3 | D325 L356 Q360 | D325-S358 WeakPolarHBondContact OD1-CB 3.42Å; D325-S358 PolarHBondContact OD1-OG 2.94Å; D325-S358 WeakPolarHBondContact OD2-CB 3.11Å; D325-S358 PolarHBondContact OD2-OG 3.44Å; L356-S358 VanDerWaalsContact C-N 3.35Å; L356-S358 PolarHBondContact O-N 2.84Å; S358-Q360 PolarHBondContact O-N 3.19Å |
| 359 | S | 64.6 | Low | 68.6 | Low | 36 Ų | 36 | 67.6 Ų | 67.6 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -79 | 78.3 | 179.8 | -63.6 | 0 | 0 | 0 | 0 | 107.2 | L356 Y357 M361 | L356-S359 WeakPolarHBondContact O-CB 2.94Å; L356-S359 PolarHBondContact O-N 3.48Å; Y357-S359 PolarHBondContact O-N 3.4Å; S359-M361 PolarHBondContact O-N 2.74Å |
| 360 | Q | 53.9 | Low | 68.3 | Low | 182 Ų | 182 | 68 Ų | 68 | 85% | 0.85 | 34% | 0.335 | S | S | * | . | trans | -42.7 | 108.4 | 177.7 | -71.4 | -175.5 | -11.5 | 0 | 0 | 108.7 | S358 R362 | S358-Q360 PolarHBondContact O-N 3.19Å; Q360-R362 PolarHBondContact O-N 3.33Å | ||
| 361 | M | 52.9 | Low | 68.1 | Low | 50 Ų | 50 | 71.2 Ų | 71.2 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | trans | -57.5 | 126.4 | 177 | -73.9 | -174 | 175.1 | 0 | 0 | 107.5 | K115 F355 S359 E363 E371 Y372 | K115-M361 HydrophobicContact CD-SD 4.43Å; F355-M361 HydrophobicContact CD1-CE 3.36Å; F355-M361 HydrophobicContact CE1-CE 3.52Å; F355-M361 HydrophobicContact CG-CE 4.32Å; S359-M361 PolarHBondContact O-N 2.74Å; M361-E363 PolarHBondContact O-N 2.94Å; M361-E371 HydrophobicContact CE-CB 3.91Å; M361-E371 WeakPolarHBondContact CE-OE2 3.44Å; M361-E371 HydrophobicContact SD-CB 4.32Å; M361-Y372 HydrophobicContact CE-CD2 3.6Å; M361-Y372 HydrophobicContact CE-CE1 4.27Å; M361-Y372 HydrophobicContact CE-CE2 3.16Å; M361-Y372 HydrophobicContact CE-CG 4.33Å; M361-Y372 HydrophobicContact SD-CD2 3.64Å; M361-Y372 HydrophobicContact SD-CE2 3.35Å; M361-Y372 WeakPolarHBondContact SD-CE2 3.38Å | ||
| 362 | R | 53.1 | Low | 68.2 | Low | 209 Ų | 209 | 68.5 Ų | 68.5 | 79% | 0.789 | 34% | 0.336 | S | S | * | . | trans | -59.3 | 129.7 | -177.1 | -54.4 | -179.3 | -152.6 | 162.5 | 10.8 | 108 | Q360 A364 | Q360-R362 PolarHBondContact O-N 3.33Å; R362-A364 HydrophobicContact CB-CB 4.35Å; R362-A364 PolarHBondContact O-N 3.46Å | ||
| 363 | E | 49.4 | Very low | 68.1 | Low | 174 Ų | 174 | 68.5 Ų | 68.5 | 81% | 0.813 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -67.3 | 7.7 | 177 | -61.5 | -172 | 122 | 0 | 0 | 113.7 | M361 D365 I366 | M361-E363 PolarHBondContact O-N 2.94Å; E363-D365 VanDerWaalsContact C-N 3.29Å; E363-D365 PolarHBondContact O-N 3.39Å; E363-I366 WeakPolarHBondContact O-CD1 3.13Å; E363-I366 WeakPolarHBondContact O-CG1 3.35Å |
| 364 | A | 47.7 | Very low | 67.7 | Low | 79 Ų | 79 | 68.9 Ų | 68.9 | 65% | 0.653 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -73.4 | -12.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R362 I366 | R362-A364 HydrophobicContact CB-CB 4.35Å; R362-A364 PolarHBondContact O-N 3.46Å; A364-I366 VanDerWaalsContact C-N 3.34Å; A364-I366 PolarHBondContact O-N 3.33Å |
| 365 | D | 50.2 | Low | 67.5 | Low | 72 Ų | 72 | 68.8 Ų | 68.8 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -92.8 | 31.2 | -174.8 | -67.6 | -22.6 | 0 | 0 | 0 | 113.7 | E363 D367 Y368 | E363-D365 VanDerWaalsContact C-N 3.29Å; E363-D365 PolarHBondContact O-N 3.39Å; D365-D367 PolarHBondContact O-N 3.49Å; D365-D367 VanDerWaalsContact O-N 3.15Å; D365-Y368 PolarHBondContact O-N 3.47Å; D365-Y368 VanDerWaalsContact O-O 3.11Å |
| 366 | I | 48.4 | Very low | 67.4 | Low | 120 Ų | 120 | 68.7 Ų | 68.7 | 62% | 0.615 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.8 | -176.6 | -72.9 | 162 | 0 | 0 | 0 | 113.5 | E363 A364 | E363-I366 WeakPolarHBondContact O-CD1 3.13Å; E363-I366 WeakPolarHBondContact O-CG1 3.35Å; A364-I366 VanDerWaalsContact C-N 3.34Å; A364-I366 PolarHBondContact O-N 3.33Å |
| 367 | D | 52.9 | Low | 67.2 | Low | 69 Ų | 69 | 67.5 Ų | 67.5 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 10.1 | 177.4 | -61 | -47.1 | 0 | 0 | 0 | 113.2 | R121 F123 D365 | R121-D367 VanDerWaalsContact CD-OD1 3.31Å; R121-D367 WeakPolarHBondContact CD-OD1 3.41Å; R121-D367 IonicContact CZ-OD1 2.72Å; R121-D367 IonicContact NH1-OD1 3.02Å; R121-D367 PolarHBondContact NH1-OD1 3.46Å; F123-D367 HydrophobicContact CE1-CB 4.16Å; F123-D367 WeakPolarHBondContact CE2-O 3.41Å; F123-D367 HydrophobicContact CZ-CB 3.82Å; F123-D367 WeakPolarHBondContact CZ-O 3.5Å; D365-D367 PolarHBondContact O-N 3.49Å; D365-D367 VanDerWaalsContact O-N 3.15Å |
| 368 | Y | 65 | Low | 67.2 | Low | 108 Ų | 108 | 65.5 Ų | 65.5 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -125.6 | 159 | -178.9 | -60.4 | -76 | 0 | 0 | 0 | 112.8 | W53 F123 D365 N370 | W53-Y368 AromaticContact CZ2-CD1 3.86Å; W53-Y368 HydrophobicContact CZ2-CD1 3.86Å; W53-Y368 AromaticContact CZ2-CE1 3.87Å; W53-Y368 HydrophobicContact CZ2-CE1 3.87Å; F123-Y368 HydrophobicContact CE1-CE1 4.21Å; F123-Y368 AromaticContact CE2-CD1 3.76Å; F123-Y368 HydrophobicContact CE2-CD1 3.76Å; F123-Y368 AromaticContact CE2-CE1 3.56Å; F123-Y368 HydrophobicContact CE2-CE1 3.56Å; F123-Y368 AromaticContact CZ-CD1 3.71Å; F123-Y368 HydrophobicContact CZ-CD1 3.71Å; F123-Y368 AromaticContact CZ-CE1 3.2Å; F123-Y368 HydrophobicContact CZ-CE1 3.2Å; F123-Y368 HydrophobicContact CZ-CE2 4.23Å; F123-Y368 HydrophobicContact CZ-CG 4.4Å; F123-Y368 AromaticContact CZ-CZ 3.49Å; F123-Y368 VanDerWaalsContact CZ-CZ 3.49Å; D365-Y368 PolarHBondContact O-N 3.47Å; D365-Y368 VanDerWaalsContact O-O 3.11Å; Y368-N370 PolarHBondContact O-N 2.93Å |
| 369 | L | 72.3 | Confident | 67.7 | Low | 29 Ų | 29 | 65 Ų | 65 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | trans | -66.2 | 113.5 | 175.1 | -146.2 | 146.9 | 0 | 0 | 0 | 107.8 | F73 I120 Q373 Q374 T378 | F73-L369 HydrophobicContact CD2-CD1 4.22Å; F73-L369 HydrophobicContact CE2-CD1 4.39Å; I120-L369 HydrophobicContact CD1-CD1 4.11Å; I120-L369 HydrophobicContact CD1-CG 4.02Å; I120-L369 HydrophobicContact CG2-CD1 4.31Å; I120-L369 HydrophobicContact CG2-CG 4.37Å; L369-Q373 HydrophobicContact CD2-CB 3.52Å; L369-Q373 HydrophobicContact CG-CB 4.26Å; L369-Q374 HydrophobicContact CB-CG 4.24Å; L369-Q374 HydrophobicContact CD2-CB 4.12Å; L369-Q374 HydrophobicContact CD2-CG 3.59Å; L369-Q374 VanDerWaalsContact CD2-N 3.27Å; L369-Q374 WeakPolarHBondContact O-CG 3.33Å; L369-Q374 PolarHBondContact O-NE2 3.03Å; L369-T378 HydrophobicContact CD1-CG2 4.28Å; L369-T378 HydrophobicContact CD2-CG2 3.96Å | ||
| 370 | N | 78.7 | Confident | 68.4 | Low | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.112 | 32% | 0.318 | C | S | . | . | trans | -73.3 | 166.9 | -168.8 | 72.7 | 58.6 | 0 | 0 | 0 | 113 | K115 Y368 Y372 Q373 Q374 | K115-N370 PolarHBondContact O-ND2 3.39Å; Y368-N370 PolarHBondContact O-N 2.93Å; N370-Y372 VanDerWaalsContact C-N 3.28Å; N370-Y372 PolarHBondContact O-N 3.39Å; N370-Y372 WeakPolarHBondContact OD1-CB 3.27Å; N370-Y372 PolarHBondContact OD1-N 2.98Å; N370-Y372 VanDerWaalsContact OD1-N 3.14Å; N370-Q373 WeakPolarHBondContact ND2-CG 3.44Å; N370-Q373 PolarHBondContact ND2-OE1 3.27Å; N370-Q373 PolarHBondContact O-N 3Å; N370-Q373 VanDerWaalsContact O-N 3.12Å; N370-Q373 PolarHBondContact OD1-N 3.02Å; N370-Q374 WeakPolarHBondContact O-CB 3.31Å; N370-Q374 WeakPolarHBondContact O-CG 3.35Å; N370-Q374 PolarHBondContact O-N 2.83Å | ||
| 371 | E | 80.1 | Confident | 69.9 | Low | 76 Ų | 76 | 56.1 Ų | 56.1 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.7 | -31.9 | -171.3 | -57.7 | -169.1 | 153.6 | 0 | 0 | 114.6 | R353 F355 M361 A375 | R353-E371 PolarHBondContact NH1-O 3.5Å; R353-E371 VanDerWaalsContact NH1-O 3.13Å; F355-E371 HydrophobicContact CE1-CB 3.86Å; M361-E371 HydrophobicContact CE-CB 3.91Å; M361-E371 WeakPolarHBondContact CE-OE2 3.44Å; M361-E371 HydrophobicContact SD-CB 4.32Å; E371-A375 PolarHBondContact O-N 3.18Å; E371-A375 VanDerWaalsContact O-N 3.12Å |
| 372 | Y | 85.2 | Confident | 71.1 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.3 | -46 | 174.2 | -71.5 | -73.8 | 0 | 0 | 0 | 111.6 | A112 K115 L116 F289 I321 F355 M361 N370 Q374 A375 A376 | A112-Y372 HydrophobicContact CB-CD1 4.32Å; A112-Y372 HydrophobicContact CB-CE1 4.03Å; K115-Y372 HydrophobicContact CB-CD2 3.76Å; K115-Y372 HydrophobicContact CB-CE2 4.4Å; K115-Y372 HydrophobicContact CB-CG 4.47Å; K115-Y372 HydrophobicContact CD-CD2 3.56Å; K115-Y372 HydrophobicContact CD-CE2 3.37Å; K115-Y372 HydrophobicContact CG-CD2 4.28Å; L116-Y372 WeakPolarHBondContact CD2-O 3.18Å; F289-Y372 AromaticContact CE1-CD1 3.94Å; F289-Y372 HydrophobicContact CE1-CD1 3.94Å; F289-Y372 HydrophobicContact CZ-CD1 4.34Å; I321-Y372 HydrophobicContact CD1-CD1 4.5Å; I321-Y372 HydrophobicContact CD1-CE1 3.57Å; I321-Y372 HydrophobicContact CG1-CE1 4.13Å; F355-Y372 HydrophobicContact CD1-CE1 4.4Å; F355-Y372 HydrophobicContact CD2-CD1 4.41Å; F355-Y372 AromaticContact CD2-CE1 3.97Å; F355-Y372 HydrophobicContact CD2-CE1 3.97Å; F355-Y372 HydrophobicContact CE2-CD1 4.1Å; F355-Y372 HydrophobicContact CE2-CE1 4.13Å; F355-Y372 HydrophobicContact CG-CE1 4.11Å; F355-Y372 HydrophobicContact CZ-CD1 4.17Å; F355-Y372 HydrophobicContact CZ-CE1 4.39Å; M361-Y372 HydrophobicContact CE-CD2 3.6Å; M361-Y372 HydrophobicContact CE-CE1 4.27Å; M361-Y372 HydrophobicContact CE-CE2 3.16Å; M361-Y372 HydrophobicContact CE-CG 4.33Å; M361-Y372 HydrophobicContact SD-CD2 3.64Å; M361-Y372 HydrophobicContact SD-CE2 3.35Å; M361-Y372 WeakPolarHBondContact SD-CE2 3.38Å; N370-Y372 VanDerWaalsContact C-N 3.28Å; N370-Y372 PolarHBondContact O-N 3.39Å; N370-Y372 WeakPolarHBondContact OD1-CB 3.27Å; N370-Y372 PolarHBondContact OD1-N 2.98Å; N370-Y372 VanDerWaalsContact OD1-N 3.14Å; Y372-Q374 VanDerWaalsContact C-N 3.3Å; Y372-Q374 PolarHBondContact O-N 3.15Å; Y372-A375 WeakPolarHBondContact O-CB 3.28Å; Y372-A375 PolarHBondContact O-N 3.26Å; Y372-A375 VanDerWaalsContact O-N 3.15Å; Y372-A376 WeakPolarHBondContact O-CB 3.26Å; Y372-A376 PolarHBondContact O-N 2.77Å |
| 373 | Q | 83.4 | Confident | 72 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -38.4 | 176.8 | -68.9 | 179.2 | -34 | 0 | 0 | 111.6 | K115 L116 K118 L369 N370 A375 A376 F377 | K115-Q373 PolarHBondContact O-NE2 3.39Å; L116-Q373 HydrophobicContact CD2-CG 4.4Å; L116-Q373 PolarHBondContact O-NE2 2.85Å; K118-Q373 PolarHBondContact O-NE2 2.89Å; L369-Q373 HydrophobicContact CD2-CB 3.52Å; L369-Q373 HydrophobicContact CG-CB 4.26Å; N370-Q373 WeakPolarHBondContact ND2-CG 3.44Å; N370-Q373 PolarHBondContact ND2-OE1 3.27Å; N370-Q373 PolarHBondContact O-N 3Å; N370-Q373 VanDerWaalsContact O-N 3.12Å; N370-Q373 PolarHBondContact OD1-N 3.02Å; Q373-A375 VanDerWaalsContact C-N 3.34Å; Q373-A376 PolarHBondContact O-N 3.37Å; Q373-F377 HydrophobicContact CB-CD2 3.85Å; Q373-F377 HydrophobicContact CB-CE2 4.07Å; Q373-F377 HydrophobicContact CG-CD2 4.15Å; Q373-F377 HydrophobicContact CG-CE2 3.84Å; Q373-F377 WeakPolarHBondContact O-CA 3.47Å; Q373-F377 VanDerWaalsContact O-CB 3.27Å; Q373-F377 WeakPolarHBondContact O-CB 3.15Å; Q373-F377 PolarHBondContact O-N 3.26Å |
| 374 | Q | 79.9 | Confident | 72.5 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.3 | -74.8 | 178.5 | 24.6 | 0 | 0 | 111.3 | R353 L369 N370 Y372 T378 | R353-Q374 VanDerWaalsContact NH1-CB 3.26Å; L369-Q374 HydrophobicContact CB-CG 4.24Å; L369-Q374 HydrophobicContact CD2-CB 4.12Å; L369-Q374 HydrophobicContact CD2-CG 3.59Å; L369-Q374 VanDerWaalsContact CD2-N 3.27Å; L369-Q374 WeakPolarHBondContact O-CG 3.33Å; L369-Q374 PolarHBondContact O-NE2 3.03Å; N370-Q374 WeakPolarHBondContact O-CB 3.31Å; N370-Q374 WeakPolarHBondContact O-CG 3.35Å; N370-Q374 PolarHBondContact O-N 2.83Å; Y372-Q374 VanDerWaalsContact C-N 3.3Å; Y372-Q374 PolarHBondContact O-N 3.15Å; Q374-T378 WeakPolarHBondContact CA-OG1 3.47Å; Q374-T378 PolarHBondContact O-N 2.62Å; Q374-T378 PolarHBondContact O-OG1 2.89Å |
| 375 | A | 82.5 | Confident | 72.6 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -51.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | H287 F289 R353 F355 E371 Y372 Q373 | H287-A375 VanDerWaalsContact CE1-C 3.45Å; H287-A375 PolarHBondContact CE1-O 3.04Å; H287-A375 PolarHBondContact ND1-O 3.4Å; F289-A375 HydrophobicContact CZ-CB 4.17Å; R353-A375 HydrophobicContact CB-CB 4.22Å; R353-A375 HydrophobicContact CG-CB 4.03Å; F355-A375 HydrophobicContact CE2-CB 4.36Å; F355-A375 HydrophobicContact CZ-CB 4.11Å; E371-A375 PolarHBondContact O-N 3.18Å; E371-A375 VanDerWaalsContact O-N 3.12Å; Y372-A375 WeakPolarHBondContact O-CB 3.28Å; Y372-A375 PolarHBondContact O-N 3.26Å; Y372-A375 VanDerWaalsContact O-N 3.15Å; Q373-A375 VanDerWaalsContact C-N 3.34Å |
| 376 | A | 83.8 | Confident | 72.3 | Confident | 9 Ų | 9 | 43 Ų | 43 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75.6 | -36 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L116 F289 Y372 Q373 | L116-A376 HydrophobicContact CD2-CB 3.58Å; F289-A376 HydrophobicContact CE2-CB 3.89Å; F289-A376 HydrophobicContact CZ-CB 4.18Å; Y372-A376 WeakPolarHBondContact O-CB 3.26Å; Y372-A376 PolarHBondContact O-N 2.77Å; Q373-A376 PolarHBondContact O-N 3.37Å |
| 377 | F | 80.6 | Confident | 72.2 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 4% | 0.044 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -112.4 | -9.9 | -168.2 | -49.2 | -38.4 | 0 | 0 | 0 | 114 | F73 S74 C77 L116 P131 F133 Q373 | F73-F377 WeakPolarHBondContact CA-O 3.44Å; F73-F377 HydrophobicContact CD2-CB 3.77Å; F73-F377 HydrophobicContact CE2-CB 3.46Å; F73-F377 VanDerWaalsContact CE2-CB 3.46Å; F73-F377 AromaticContact CE2-CD2 3.93Å; F73-F377 HydrophobicContact CE2-CD2 3.93Å; F73-F377 HydrophobicContact CE2-CG 4Å; F73-F377 HydrophobicContact CZ-CB 4.25Å; F73-F377 HydrophobicContact CZ-CD2 4.42Å; F73-F377 HydrophobicContact CZ-CG 4.49Å; S74-F377 PolarHBondContact N-O 3.12Å; S74-F377 VanDerWaalsContact N-O 3.14Å; C77-F377 WeakPolarHBondContact SG-CD1 3.42Å; C77-F377 VanDerWaalsContact SG-CE1 3.52Å; L116-F377 HydrophobicContact CB-CZ 4.49Å; L116-F377 HydrophobicContact CD2-CE2 4.41Å; L116-F377 HydrophobicContact CD2-CZ 4.15Å; P131-F377 HydrophobicContact CB-CD2 4.34Å; P131-F377 HydrophobicContact CB-CE2 3.56Å; P131-F377 HydrophobicContact CB-CZ 3.87Å; P131-F377 HydrophobicContact CG-CE2 4.01Å; P131-F377 HydrophobicContact CG-CZ 4.47Å; F133-F377 HydrophobicContact CB-CE1 4.22Å; F133-F377 AromaticContact CD1-CE1 3.89Å; F133-F377 HydrophobicContact CD1-CE1 3.89Å; F133-F377 AromaticContact CD1-CZ 3.59Å; F133-F377 HydrophobicContact CD1-CZ 3.59Å; F133-F377 HydrophobicContact CE1-CE1 4.46Å; F133-F377 AromaticContact CE1-CZ 3.83Å; F133-F377 HydrophobicContact CE1-CZ 3.83Å; F133-F377 HydrophobicContact CG-CE1 4.06Å; F133-F377 HydrophobicContact CG-CZ 4.22Å; Q373-F377 HydrophobicContact CB-CD2 3.85Å; Q373-F377 HydrophobicContact CB-CE2 4.07Å; Q373-F377 HydrophobicContact CG-CD2 4.15Å; Q373-F377 HydrophobicContact CG-CE2 3.84Å; Q373-F377 WeakPolarHBondContact O-CA 3.47Å; Q373-F377 VanDerWaalsContact O-CB 3.27Å; Q373-F377 WeakPolarHBondContact O-CB 3.15Å; Q373-F377 PolarHBondContact O-N 3.26Å |
| 378 | T | 78.5 | Confident | 71.9 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 9% | 0.092 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.3 | -174.6 | 77 | 0 | 0 | 0 | 0 | 115.3 | V72 F73 L369 Q374 | V72-T378 VanDerWaalsContact O-CA 3.29Å; V72-T378 WeakPolarHBondContact O-CA 3.45Å; F73-T378 HydrophobicContact CD2-CG2 4.12Å; L369-T378 HydrophobicContact CD1-CG2 4.28Å; L369-T378 HydrophobicContact CD2-CG2 3.96Å; Q374-T378 WeakPolarHBondContact CA-OG1 3.47Å; Q374-T378 PolarHBondContact O-N 2.62Å; Q374-T378 PolarHBondContact O-OG1 2.89Å |
| 379 | V | 78.8 | Confident | 70.8 | Confident | 35 Ų | 35 | 38.1 Ų | 38.1 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135.8 | 168.5 | -179.8 | 0 | 0 | 0 | 0 | 109 | L27 H71 V72 | L27-V379 HydrophobicContact CD2-CB 4.03Å; L27-V379 HydrophobicContact CD2-CG1 3.52Å; H71-V379 CarbonylContact C-O 3.54Å; H71-V379 WeakPolarHBondContact CA-O 3.39Å; V72-V379 PolarHBondContact N-O 3.28Å; V72-V379 PolarHBondContact O-N 3.49Å |
| 380 | S | 80.1 | Confident | 69.3 | Low | 20 Ų | 20 | 40.8 Ų | 40.8 | 14% | 0.14 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.8 | -169.6 | -53 | 0 | 0 | 0 | 0 | 113.2 | V70 H71 | V70-S380 CarbonylContact O-C 3.49Å; V70-S380 WeakPolarHBondContact O-CA 3.48Å; H71-S380 PolarHBondContact CE1-OG 3.15Å; H71-S380 PolarHBondContact ND1-OG 3.43Å |
| 381 | I | 83.5 | Confident | 67.7 | Low | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 132 | 179.2 | -59.7 | -159 | 0 | 0 | 0 | 111.8 | L27 I28 Y31 V70 | L27-I381 HydrophobicContact CB-CD1 4.16Å; L27-I381 HydrophobicContact CD2-CD1 3.66Å; L27-I381 HydrophobicContact CD2-CG1 4.07Å; L27-I381 HydrophobicContact CG-CD1 3.68Å; L27-I381 HydrophobicContact CG-CG1 4.41Å; I28-I381 HydrophobicContact CD1-CD1 4.01Å; I28-I381 HydrophobicContact CG1-CD1 3.35Å; Y31-I381 HydrophobicContact CD1-CG2 4.29Å; Y31-I381 HydrophobicContact CD2-CG2 3.99Å; Y31-I381 HydrophobicContact CE2-CG2 4.26Å; Y31-I381 HydrophobicContact CG-CG2 4Å; V70-I381 PolarHBondContact N-O 3.12Å; V70-I381 PolarHBondContact O-N 2.95Å |
| 382 | P | 78 | Confident | 65.9 | Low | 13 Ų | 13 | 41.5 Ų | 41.5 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | S | Bend | cis | -63.8 | 158.8 | -12.9 | 29 | -34.2 | 0 | 0 | 0 | 111.2 | T68 S384 V431 | T68-P382 WeakPolarHBondContact O-CD 3.29Å; P382-S384 PolarHBondContact O-N 2.77Å; P382-V431 HydrophobicContact CB-CG1 4.13Å |
| 383 | V | 72.9 | Confident | 63.9 | Low | 43 Ų | 43 | 50.3 Ų | 50.3 | 26% | 0.261 | 28% | 0.279 | S | S | . | . | trans | -68.2 | 97.7 | -179.2 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | H430 V431 | V383-H430 HydrophobicContact CG2-CB 3.91Å; V383-V431 PolarHBondContact N-O 3.42Å | ||
| 384 | S | 59.1 | Low | 62 | Low | 30 Ų | 30 | 57.2 Ų | 57.2 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | trans | -61.5 | 144.9 | 174 | 73.9 | 0 | 0 | 0 | 0 | 110.6 | P382 I386 | P382-S384 PolarHBondContact O-N 2.77Å; S384-I386 PolarHBondContact O-N 3.01Å; S384-I386 WeakPolarHBondContact OG-CD1 3.38Å; S384-I386 WeakPolarHBondContact OG-CG1 3.46Å | ||
| 385 | T | 49.8 | Very low | 60.3 | Low | 124 Ų | 124 | 59.4 Ų | 59.4 | 76% | 0.761 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -70.9 | 21.5 | 177 | 45.1 | 0 | 0 | 0 | 0 | 114 | T387 | T385-T387 PolarHBondContact O-N 3.21Š|
| 386 | I | 44.9 | Very low | 58.1 | Low | 100 Ų | 100 | 62 Ų | 62 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | trans | -82.3 | 33.3 | 178.6 | -43.4 | 172.5 | 0 | 0 | 0 | 110.2 | S384 N388 | S384-I386 PolarHBondContact O-N 3.01Å; S384-I386 WeakPolarHBondContact OG-CD1 3.38Å; S384-I386 WeakPolarHBondContact OG-CG1 3.46Å; I386-N388 VanDerWaalsContact C-N 3.3Å; I386-N388 PolarHBondContact O-N 3.16Å; I386-N388 VanDerWaalsContact O-N 3.14Å | ||
| 387 | T | 45.3 | Very low | 55.9 | Low | 68 Ų | 68 | 67.9 Ų | 67.9 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -81.2 | 83.3 | 163 | 53.6 | 0 | 0 | 0 | 0 | 108 | T385 | T385-T387 PolarHBondContact O-N 3.21Š|
| 388 | N | 47.8 | Very low | 54.1 | Low | 33 Ų | 33 | 79.1 Ų | 79.1 | 18% | 0.176 | 43% | 0.427 | C | S | . | . | trans | 62.3 | 64.8 | 163.2 | -59.8 | -14.9 | 0 | 0 | 0 | 118.3 | Y354 I386 V390 | Y354-N388 WeakPolarHBondContact CB-ND2 3.37Å; Y354-N388 PolarHBondContact N-ND2 2.93Å; Y354-N388 PolarHBondContact O-ND2 3.03Å; I386-N388 VanDerWaalsContact C-N 3.3Å; I386-N388 PolarHBondContact O-N 3.16Å; I386-N388 VanDerWaalsContact O-N 3.14Å; N388-V390 PolarHBondContact O-N 3.43Å | ||
| 389 | D | 41.5 | Very low | 52.4 | Low | 93 Ų | 93 | 81.5 Ų | 81.5 | 50% | 0.497 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 4.9 | 167.3 | -159.2 | 51.8 | 0 | 0 | 0 | 114.1 | R393 | D389-R393 WeakPolarHBondContact O-CD 3.43Å; D389-R393 WeakPolarHBondContact O-CG 3.44Å; D389-R393 PolarHBondContact O-NE 3.4Å; D389-R393 IonicContact OD2-CZ 3.16Å; D389-R393 IonicContact OD2-NE 2.76Å; D389-R393 PolarHBondContact OD2-NE 3.02Å; D389-R393 IonicContact OD2-NH2 2.76Å; D389-R393 PolarHBondContact OD2-NH2 2.86Å |
| 390 | V | 41.6 | Very low | 50.6 | Low | 85 Ų | 85 | 91.5 Ų | 91.5 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -40.6 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | N388 | N388-V390 PolarHBondContact O-N 3.43Š|
| 391 | A | 43.3 | Very low | 48.7 | Very low | 28 Ų | 28 | 99.6 Ų | 99.6 | 23% | 0.231 | 52% | 0.521 | C | S | . | . | G | 310 helix | trans | -72.9 | -39.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y354 R393 K394 L395 | Y354-A391 HydrophobicContact CE1-CB 4.18Å; A391-R393 PolarHBondContact O-N 3.47Å; A391-K394 PolarHBondContact O-N 2.87Å; A391-K394 VanDerWaalsContact O-N 3.15Å; A391-L395 PolarHBondContact O-N 2.87Å |
| 392 | T | 43.6 | Very low | 47.1 | Very low | 83 Ų | 83 | 101.1 Ų | 101.1 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -62.6 | -13.1 | 179.1 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 393 | R | 42.6 | Very low | 45.8 | Very low | 190 Ų | 190 | 111 Ų | 111 | 72% | 0.717 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -91.9 | -20.7 | 177.9 | -63.5 | -178.5 | -168.5 | -157.8 | 3.7 | 114 | D389 A391 | D389-R393 WeakPolarHBondContact O-CD 3.43Å; D389-R393 WeakPolarHBondContact O-CG 3.44Å; D389-R393 PolarHBondContact O-NE 3.4Å; D389-R393 IonicContact OD2-CZ 3.16Å; D389-R393 IonicContact OD2-NE 2.76Å; D389-R393 PolarHBondContact OD2-NE 3.02Å; D389-R393 IonicContact OD2-NH2 2.76Å; D389-R393 PolarHBondContact OD2-NH2 2.86Å; A391-R393 PolarHBondContact O-N 3.47Å |
| 394 | K | 43.5 | Very low | 45 | Very low | 148 Ų | 148 | 113.3 Ų | 113.3 | 64% | 0.643 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -34.5 | 178.7 | -80.4 | -174.3 | 174.8 | 178.4 | 0 | 112.9 | A391 G396 | A391-K394 PolarHBondContact O-N 2.87Å; A391-K394 VanDerWaalsContact O-N 3.15Å; K394-G396 PolarHBondContact O-N 2.92Å; K394-G396 VanDerWaalsContact O-N 3.16Å |
| 395 | L | 43.9 | Very low | 45.1 | Very low | 99 Ų | 99 | 118.5 Ų | 118.5 | 52% | 0.518 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -72.7 | 109.6 | 173 | -147.1 | 76.8 | 0 | 0 | 0 | 108.8 | A391 T397 | A391-L395 PolarHBondContact O-N 2.87Å; L395-T397 PolarHBondContact O-N 2.85Å |
| 396 | G | 37.9 | Very low | 45.9 | Very low | 64 Ų | 64 | 120.5 Ų | 120.5 | 66% | 0.66 | 59% | 0.591 | S | S | * | * | trans | -59.2 | 122.9 | -161.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | K394 | K394-G396 PolarHBondContact O-N 2.92Å; K394-G396 VanDerWaalsContact O-N 3.16Å | ||
| 397 | T | 37.6 | Very low | 46.9 | Very low | 133 Ų | 133 | 117.6 Ų | 117.6 | 82% | 0.816 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 47.3 | 105.3 | 158.6 | 41.7 | 0 | 0 | 0 | 0 | 117.6 | L395 G399 | L395-T397 PolarHBondContact O-N 2.85Å; T397-G399 PolarHBondContact O-N 2.88Å |
| 398 | R | 41.1 | Very low | 48 | Very low | 245 Ų | 245 | 119.9 Ų | 119.9 | 93% | 0.925 | 58% | 0.583 | S | S | * | * | trans | 13.8 | 81.3 | 141.1 | -74.8 | -179.6 | 167.8 | 177.3 | -3.5 | 113.8 | R400 | R398-R400 PolarHBondContact O-N 3.2Š| ||
| 399 | G | 43.1 | Very low | 49 | Very low | 65 Ų | 65 | 123.3 Ų | 123.3 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | trans | -52.1 | 129.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | T397 F401 | T397-G399 PolarHBondContact O-N 2.88Å; G399-F401 PolarHBondContact O-N 3.02Å | ||
| 400 | R | 41.5 | Very low | 50.3 | Low | 245 Ų | 245 | 123.3 Ų | 123.3 | 93% | 0.925 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -73.5 | 29.8 | -168.6 | -69.3 | 178.5 | 170.5 | 176.5 | -2.7 | 114.4 | R398 | R398-R400 PolarHBondContact O-N 3.2Š|
| 401 | F | 40.9 | Very low | 51.7 | Low | 190.5 Ų | 190.5 | 123.8 Ų | 123.8 | 84% | 0.836 | 59% | 0.59 | S | S | * | * | trans | -125.2 | 132.5 | 179.8 | -62 | -80.3 | 0 | 0 | 0 | 109.3 | G399 | G399-F401 PolarHBondContact O-N 3.02Š| ||
| 402 | S | 49.9 | Very low | 53 | Low | 44.5 Ų | 44.5 | 127.2 Ų | 127.2 | 31% | 0.311 | 61% | 0.608 | S | S | . | * | 124.7 | 119.5 | 114.3 | -115.7 | 0 | 0 | 0 | 0 | 113.6 | T404 P479 S480 | S402-T404 PolarHBondContact O-N 3.14Å; S402-T404 VanDerWaalsContact O-N 3.12Å; S402-P479 WeakPolarHBondContact OG-CB 3.3Å; S402-S480 PolarHBondContact OG-N 3.37Å | |||
| 403 | R | 49.8 | Very low | 54.3 | Low | 221 Ų | 221 | 123.5 Ų | 123.5 | 83% | 0.834 | 59% | 0.586 | S | S | * | * | trans | -51.1 | 113.8 | 152.5 | -75.7 | 173 | 172.3 | 163.9 | -3.9 | 108.1 | R405 S480 | R403-R405 PolarHBondContact O-N 3.37Å; R403-R405 VanDerWaalsContact O-N 3.11Å; R403-S480 WeakPolarHBondContact CB-OG 3.31Å; R403-S480 VanDerWaalsContact O-CB 3.29Å; R403-S480 WeakPolarHBondContact O-CB 3.37Å; R403-S480 PolarHBondContact O-N 3.28Å; R403-S480 PolarHBondContact O-OG 3.12Å | ||
| 404 | T | 57 | Low | 55.6 | Low | 89.5 Ų | 89.5 | 120.2 Ų | 120.2 | 55% | 0.549 | 58% | 0.579 | S | S | . | * | trans | -65.4 | 116 | 172.6 | 50.8 | 0 | 0 | 0 | 0 | 108.6 | S402 | S402-T404 PolarHBondContact O-N 3.14Å; S402-T404 VanDerWaalsContact O-N 3.12Å | ||
| 405 | R | 59.7 | Low | 56.9 | Low | 140 Ų | 140 | 113.2 Ų | 113.2 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 153.8 | 170.2 | -78.3 | -177.8 | -176.5 | -157 | 0.8 | 108.7 | R403 A478 F483 | R403-R405 PolarHBondContact O-N 3.37Å; R403-R405 VanDerWaalsContact O-N 3.11Å; R405-A478 PolarHBondContact N-O 3.12Å; R405-F483 VanDerWaalsContact C-CE2 3.45Å; R405-F483 VanDerWaalsContact C-CZ 3.44Å; R405-F483 HydrophobicContact CB-CB 4.44Å; R405-F483 HydrophobicContact CB-CD1 3.89Å; R405-F483 HydrophobicContact CB-CD2 3.49Å; R405-F483 VanDerWaalsContact CB-CD2 3.49Å; R405-F483 HydrophobicContact CB-CE1 3.92Å; R405-F483 HydrophobicContact CB-CE2 3.53Å; R405-F483 VanDerWaalsContact CB-CE2 3.49Å; R405-F483 HydrophobicContact CB-CG 3.66Å; R405-F483 HydrophobicContact CB-CZ 3.76Å; R405-F483 HydrophobicContact CG-CG 4.49Å; R405-F483 WeakPolarHBondContact O-CE2 3.17Å; R405-F483 VanDerWaalsContact O-CZ 3.27Å; R405-F483 WeakPolarHBondContact O-CZ 3.2Å |
| 406 | R | 66.6 | Low | 58.4 | Low | 165.5 Ų | 165.5 | 109.7 Ų | 109.7 | 63% | 0.625 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125 | -177 | -70.6 | 175 | 168.8 | 167 | 0.4 | 108.7 | I476 E477 | R406-I476 WeakPolarHBondContact CA-O 3.48Å; R406-E477 HydrophobicContact CG-CG 4.25Å; R406-E477 IonicContact CZ-OE1 2.86Å; R406-E477 IonicContact NE-OE1 3.54Å; R406-E477 PolarHBondContact NE-OE1 3.28Å; R406-E477 IonicContact NH2-OE1 3.78Å; R406-E477 PolarHBondContact NH2-OE1 3.13Å |
| 407 | L | 67.1 | Low | 60.4 | Low | 40.5 Ų | 40.5 | 106.9 Ų | 106.9 | 21% | 0.212 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 136.1 | 166.7 | -147.8 | 79.8 | 0 | 0 | 0 | 107.5 | Y409 W474 K475 I476 F483 F490 | L407-Y409 HydrophobicContact CD2-CE2 3.71Å; L407-Y409 HydrophobicContact CG-CE2 3.9Å; L407-W474 HydrophobicContact CD2-CH2 3.99Å; L407-W474 HydrophobicContact CD2-CZ3 4.12Å; L407-K475 CarbonylContact O-C 3.56Å; L407-K475 WeakPolarHBondContact O-CA 3.27Å; L407-K475 WeakPolarHBondContact O-CG 3.49Å; L407-I476 PolarHBondContact N-O 3.13Å; L407-I476 PolarHBondContact O-N 2.93Å; L407-F483 HydrophobicContact CB-CE1 4.03Å; L407-F483 HydrophobicContact CB-CZ 4.33Å; L407-F483 HydrophobicContact CD1-CE1 4.37Å; L407-F490 HydrophobicContact CD2-CB 4.19Å; L407-F490 HydrophobicContact CD2-CD2 4.32Å; L407-F490 HydrophobicContact CD2-CG 4.35Å |
| 408 | Q | 68.6 | Low | 62.4 | Low | 116 Ų | 116 | 103.7 Ų | 103.7 | 54% | 0.542 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 137.4 | 178.4 | -179.1 | -180 | -19.3 | 0 | 0 | 110.6 | N410 W474 K475 | Q408-N410 PolarHBondContact NE2-OD1 2.72Å; Q408-W474 WeakPolarHBondContact CA-O 3.29Å; Q408-K475 HydrophobicContact CB-CB 4.49Å |
| 409 | Y | 67.8 | Low | 64 | Low | 104 Ų | 104 | 93.6 Ų | 93.6 | 41% | 0.408 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145.7 | 172.8 | -91.8 | -94.3 | 0 | 0 | 0 | 110.5 | L407 K473 W474 F490 | L407-Y409 HydrophobicContact CD2-CE2 3.71Å; L407-Y409 HydrophobicContact CG-CE2 3.9Å; Y409-K473 WeakPolarHBondContact O-CA 3.4Å; Y409-W474 VanDerWaalsContact CB-CZ2 3.42Å; Y409-W474 HydrophobicContact CD2-CD2 4.36Å; Y409-W474 AromaticContact CD2-CE2 3.78Å; Y409-W474 HydrophobicContact CD2-CE3 4.39Å; Y409-W474 AromaticContact CD2-CH2 3.27Å; Y409-W474 HydrophobicContact CD2-CH2 3.77Å; Y409-W474 AromaticContact CD2-CZ2 3.6Å; Y409-W474 HydrophobicContact CD2-CZ2 3.6Å; Y409-W474 AromaticContact CD2-CZ3 3.88Å; Y409-W474 HydrophobicContact CD2-CZ3 3.88Å; Y409-W474 AromaticContact CE2-CH2 3.56Å; Y409-W474 HydrophobicContact CE2-CH2 3.56Å; Y409-W474 AromaticContact CE2-CZ2 3.83Å; Y409-W474 HydrophobicContact CE2-CZ2 3.83Å; Y409-W474 HydrophobicContact CE2-CZ3 4.31Å; Y409-W474 HydrophobicContact CG-CH2 4.35Å; Y409-W474 AromaticContact CG-CZ2 3.75Å; Y409-W474 HydrophobicContact CG-CZ2 3.75Å; Y409-W474 PolarHBondContact N-O 3.33Å; Y409-W474 PolarHBondContact O-N 2.88Å; Y409-F490 PolarHBondContact OH-O 2.83Å; Y409-F490 VanDerWaalsContact OH-O 3.06Å |
| 410 | N | 69 | Low | 65.6 | Low | 92 Ų | 92 | 90.6 Ų | 90.6 | 49% | 0.492 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.4 | 178.2 | -54.7 | -29.5 | 0 | 0 | 0 | 108.7 | Q408 K473 | Q408-N410 PolarHBondContact NE2-OD1 2.72Å; N410-K473 HydrophobicContact CB-CG 4.2Å; N410-K473 WeakPolarHBondContact OD1-CD 3.28Å; N410-K473 VanDerWaalsContact OD1-CG 3.27Å; N410-K473 WeakPolarHBondContact OD1-CG 3.2Å |
| 411 | H | 70.8 | Confident | 67.5 | Low | 96.5 Ų | 96.5 | 79.6 Ų | 79.6 | 45% | 0.447 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 147.6 | 177.5 | -167 | 57.4 | 0 | 0 | 0 | 110.8 | V472 | H411-V472 HydrophobicContact CB-CG2 4.12Å; H411-V472 PolarHBondContact N-O 2.83Å; H411-V472 WeakPolarHBondContact O-CG2 3.29Å; H411-V472 PolarHBondContact O-N 2.79Å |
| 412 | T | 71.3 | Confident | 69.1 | Low | 98.5 Ų | 98.5 | 73 Ų | 73 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.4 | 175.6 | 47.3 | 0 | 0 | 0 | 0 | 108.8 | I471 | T412-I471 HydrophobicContact CG2-CG1 4.32Å |
| 413 | V | 70.3 | Confident | 70.2 | Confident | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.4 | -179.5 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | A415 V420 V470 V472 N515 I519 | V413-A415 VanDerWaalsContact C-N 3.29Å; V413-A415 HydrophobicContact CG1-CB 3.86Å; V413-A415 PolarHBondContact O-N 3.06Å; V413-V420 HydrophobicContact CG1-CG2 4.27Å; V413-V470 PolarHBondContact N-O 3.44Å; V413-V470 PolarHBondContact O-N 2.92Å; V413-V472 HydrophobicContact CB-CG2 3.89Å; V413-V472 HydrophobicContact CG2-CB 4.27Å; V413-V472 HydrophobicContact CG2-CG1 4.37Å; V413-V472 HydrophobicContact CG2-CG2 3.62Å; V413-N515 HydrophobicContact CG1-CB 4.44Å; V413-N515 HydrophobicContact CG2-CB 4Å; V413-N515 VanDerWaalsContact CG2-ND2 3.34Å; V413-N515 WeakPolarHBondContact CG2-ND2 3.38Å; V413-I519 HydrophobicContact CG1-CD1 3.95Å; V413-I519 HydrophobicContact CG1-CG1 3.79Å |
| 414 | E | 70 | Confident | 71.6 | Confident | 120.5 Ų | 120.5 | 60.9 Ų | 60.9 | 56% | 0.563 | 30% | 0.297 | S | S | * | . | trans | -80.3 | 68 | 175.4 | -62.7 | -167.9 | -176 | 0 | 0 | 111.5 | N469 R526 | E414-N469 WeakPolarHBondContact CA-OD1 3.47Å; E414-N469 WeakPolarHBondContact CG-OD1 3.11Å; E414-R526 IonicContact OE2-NH1 3.81Å; E414-R526 PolarHBondContact OE2-NH1 3.03Å | ||
| 415 | A | 71.2 | Confident | 72.6 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -139.5 | 170 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V413 V420 N469 V470 P518 I519 T522 | V413-A415 VanDerWaalsContact C-N 3.29Å; V413-A415 HydrophobicContact CG1-CB 3.86Å; V413-A415 PolarHBondContact O-N 3.06Å; A415-V420 HydrophobicContact CB-CG2 3.71Å; A415-N469 PolarHBondContact O-N 2.81Å; A415-V470 VanDerWaalsContact O-CG2 3.27Å; A415-V470 WeakPolarHBondContact O-CG2 3.3Å; A415-P518 HydrophobicContact CB-CB 3.98Å; A415-I519 HydrophobicContact CB-CG1 4.43Å; A415-T522 HydrophobicContact CB-CG2 4.21Å |
| 416 | C | 74.4 | Confident | 73.2 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 17% | 0.169 | 27% | 0.266 | C | S | . | . | trans | -74.9 | 144.1 | 171.3 | 175.9 | 0 | 0 | 0 | 0 | 110 | L418 S419 V420 E467 T522 | C416-L418 VanDerWaalsContact C-N 3.32Å; C416-L418 PolarHBondContact O-N 3.27Å; C416-S419 PolarHBondContact O-N 3.24Å; C416-S419 PolarHBondContact O-OG 2.95Å; C416-V420 PolarHBondContact O-N 3.28Å; C416-E467 WeakPolarHBondContact CA-O 3.46Å; C416-T522 HydrophobicContact CB-CG2 3.95Å | ||
| 417 | M | 81.4 | Confident | 73.4 | Confident | 5.5 Ų | 5.5 | 47 Ų | 47 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.8 | -42.1 | 179.4 | -177 | 175.3 | -62.8 | 0 | 0 | 112.5 | V420 L421 I441 I443 I459 G461 V465 V470 | M417-V420 PolarHBondContact O-N 3.23Å; M417-L421 WeakPolarHBondContact O-CB 3.3Å; M417-L421 PolarHBondContact O-N 3.01Å; M417-I441 HydrophobicContact CE-CG2 3.52Å; M417-I441 VanDerWaalsContact CE-CG2 3.45Å; M417-I441 HydrophobicContact SD-CG2 3.57Å; M417-I441 WeakPolarHBondContact SD-CG2 3.35Å; M417-I443 HydrophobicContact SD-CD1 4.1Å; M417-I459 HydrophobicContact CE-CG2 4.41Å; M417-I459 HydrophobicContact CG-CG2 3.89Å; M417-G461 VanDerWaalsContact CE-N 3.29Å; M417-V465 HydrophobicContact CB-CG1 4.13Å; M417-V465 HydrophobicContact CG-CG1 4.43Å; M417-V465 HydrophobicContact SD-CG1 4.16Å; M417-V465 HydrophobicContact SD-CG2 4.49Å; M417-V470 HydrophobicContact CB-CG1 3.99Å; M417-V470 HydrophobicContact CB-CG2 3.97Å; M417-V470 HydrophobicContact CE-CG1 3.83Å; M417-V470 HydrophobicContact CG-CG1 4.22Å |
| 418 | L | 79 | Confident | 73.8 | Confident | 66.5 Ų | 66.5 | 45.4 Ų | 45.4 | 35% | 0.348 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.8 | -40.4 | -178.7 | -66.2 | 175.3 | 0 | 0 | 0 | 111.9 | F25 L32 C416 V420 L421 D422 V465 | F25-L418 HydrophobicContact CE2-CB 4.35Å; F25-L418 WeakPolarHBondContact CE2-O 3.36Å; F25-L418 HydrophobicContact CZ-CB 4.35Å; L32-L418 HydrophobicContact CD1-CD2 4.09Å; C416-L418 VanDerWaalsContact C-N 3.32Å; C416-L418 PolarHBondContact O-N 3.27Å; L418-V420 VanDerWaalsContact C-N 3.32Å; L418-V420 PolarHBondContact O-N 3.14Å; L418-L421 WeakPolarHBondContact O-CB 3.45Å; L418-L421 PolarHBondContact O-N 3.32Å; L418-L421 VanDerWaalsContact O-N 3.13Å; L418-D422 WeakPolarHBondContact O-CB 3.31Å; L418-D422 VanDerWaalsContact O-CG 3.3Å; L418-D422 PolarHBondContact O-N 3.21Å; L418-V465 HydrophobicContact CG-CG1 4.24Å |
| 419 | S | 73.8 | Confident | 74.4 | Confident | 32.5 Ų | 32.5 | 40.2 Ų | 40.2 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.2 | -35.3 | 178.8 | 8.8 | 0 | 0 | 0 | 0 | 112.8 | C416 A423 | C416-S419 PolarHBondContact O-N 3.24Å; C416-S419 PolarHBondContact O-OG 2.95Å; S419-A423 WeakPolarHBondContact O-CB 3.33Å; S419-A423 PolarHBondContact O-N 3.21Å |
| 420 | V | 77.9 | Confident | 75 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.1 | -40.2 | 172.6 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | V413 A415 C416 M417 L418 R424 F457 I459 V470 V472 P518 | V413-V420 HydrophobicContact CG1-CG2 4.27Å; A415-V420 HydrophobicContact CB-CG2 3.71Å; C416-V420 PolarHBondContact O-N 3.28Å; M417-V420 PolarHBondContact O-N 3.23Å; L418-V420 VanDerWaalsContact C-N 3.32Å; L418-V420 PolarHBondContact O-N 3.14Å; V420-R424 HydrophobicContact CG1-CG 4.44Å; V420-R424 WeakPolarHBondContact O-CB 3.49Å; V420-R424 VanDerWaalsContact O-CG 3.23Å; V420-R424 WeakPolarHBondContact O-CG 3.41Å; V420-R424 PolarHBondContact O-N 3.07Å; V420-F457 HydrophobicContact CG1-CE1 4.07Å; V420-F457 HydrophobicContact CG1-CZ 4.32Å; V420-I459 HydrophobicContact CB-CD1 4.48Å; V420-I459 HydrophobicContact CG1-CD1 3.96Å; V420-I459 HydrophobicContact CG1-CG1 4.38Å; V420-V470 HydrophobicContact CG2-CG2 4.03Å; V420-V472 HydrophobicContact CG1-CG1 4.02Å; V420-P518 HydrophobicContact CG2-CB 3.83Å; V420-P518 HydrophobicContact CG2-CG 4.24Å |
| 421 | L | 81.9 | Confident | 75.9 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -51.2 | 177.7 | -178.7 | 61.5 | 0 | 0 | 0 | 111.2 | I28 L32 M417 L418 A423 R424 L425 I443 L445 I459 | I28-L421 HydrophobicContact CG2-CD2 3.65Å; I28-L421 HydrophobicContact CG2-CG 4.36Å; L32-L421 HydrophobicContact CD1-CD2 3.77Å; M417-L421 WeakPolarHBondContact O-CB 3.3Å; M417-L421 PolarHBondContact O-N 3.01Å; L418-L421 WeakPolarHBondContact O-CB 3.45Å; L418-L421 PolarHBondContact O-N 3.32Å; L418-L421 VanDerWaalsContact O-N 3.13Å; L421-A423 VanDerWaalsContact C-N 3.35Å; L421-A423 PolarHBondContact O-N 3.03Å; L421-R424 PolarHBondContact O-N 3.24Å; L421-R424 VanDerWaalsContact O-N 3.12Å; L421-L425 HydrophobicContact CD1-CD1 4.21Å; L421-L425 HydrophobicContact CD1-CD2 4.47Å; L421-L425 HydrophobicContact CD1-CG 4.17Å; L421-L425 HydrophobicContact CG-CD1 3.96Å; L421-L425 HydrophobicContact CG-CG 4.34Å; L421-L425 VanDerWaalsContact O-CG 3.27Å; L421-L425 WeakPolarHBondContact O-CG 3.42Å; L421-L425 PolarHBondContact O-N 2.95Å; L421-I443 HydrophobicContact CD1-CD1 4.41Å; L421-I443 HydrophobicContact CD1-CG2 4.08Å; L421-I443 HydrophobicContact CD2-CD1 3.88Å; L421-L445 HydrophobicContact CD1-CD1 4.18Å; L421-L445 HydrophobicContact CD1-CD2 3.94Å; L421-I459 HydrophobicContact CB-CD1 4.2Å; L421-I459 HydrophobicContact CD1-CD1 4.15Å |
| 422 | D | 74.5 | Confident | 76.6 | Confident | 51.5 Ų | 51.5 | 32.1 Ų | 32.1 | 28% | 0.275 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56 | -50.6 | -180 | -117.2 | 1.2 | 0 | 0 | 0 | 111.6 | F25 L418 R424 L425 Q426 | F25-D422 WeakPolarHBondContact CB-OD1 3.44Å; F25-D422 HydrophobicContact CD1-CB 4.41Å; F25-D422 HydrophobicContact CD2-CB 3.53Å; F25-D422 WeakPolarHBondContact CD2-OD1 3.49Å; F25-D422 HydrophobicContact CE1-CB 4.47Å; F25-D422 HydrophobicContact CE2-CB 3.62Å; F25-D422 HydrophobicContact CG-CB 3.95Å; F25-D422 VanDerWaalsContact CG-CG 3.46Å; F25-D422 WeakPolarHBondContact CG-OD1 3.32Å; F25-D422 HydrophobicContact CZ-CB 4.1Å; L418-D422 WeakPolarHBondContact O-CB 3.31Å; L418-D422 VanDerWaalsContact O-CG 3.3Å; L418-D422 PolarHBondContact O-N 3.21Å; D422-R424 VanDerWaalsContact C-N 3.27Å; D422-R424 PolarHBondContact O-N 2.98Å; D422-R424 VanDerWaalsContact O-N 3.16Å; D422-L425 PolarHBondContact O-N 2.72Å; D422-L425 VanDerWaalsContact O-N 3.15Å; D422-Q426 WeakPolarHBondContact O-CB 3.34Å; D422-Q426 VanDerWaalsContact O-CG 3.3Å; D422-Q426 WeakPolarHBondContact O-CG 3.4Å; D422-Q426 PolarHBondContact O-N 3.32Å; D422-Q426 PolarHBondContact OD1-NE2 3.41Å; D422-Q426 PolarHBondContact OD2-NE2 3.46Å; D422-Q426 VanDerWaalsContact OD2-NE2 3.14Å |
| 423 | A | 72.4 | Confident | 77.3 | Confident | 8.5 Ų | 8.5 | 29.2 Ų | 29.2 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.6 | -36.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S419 L421 E427 P518 | S419-A423 WeakPolarHBondContact O-CB 3.33Å; S419-A423 PolarHBondContact O-N 3.21Å; L421-A423 VanDerWaalsContact C-N 3.35Å; L421-A423 PolarHBondContact O-N 3.03Å; A423-E427 VanDerWaalsContact O-CG 3.3Å; A423-E427 WeakPolarHBondContact O-CG 3.34Å; A423-E427 PolarHBondContact O-N 3.24Å; A423-E427 VanDerWaalsContact O-N 3.12Å; A423-P518 HydrophobicContact CB-CB 4.24Å; A423-P518 HydrophobicContact CB-CG 3.68Å |
| 424 | R | 79.1 | Confident | 78.2 | Confident | 3.5 Ų | 3.5 | 31 Ų | 31 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -76.6 | -39.8 | 178.7 | -66 | -66.8 | 169.2 | -175.5 | 1.3 | 112.4 | V420 L421 D422 Q426 E427 Y429 L445 F457 L512 N515 | V420-R424 HydrophobicContact CG1-CG 4.44Å; V420-R424 WeakPolarHBondContact O-CB 3.49Å; V420-R424 VanDerWaalsContact O-CG 3.23Å; V420-R424 WeakPolarHBondContact O-CG 3.41Å; V420-R424 PolarHBondContact O-N 3.07Å; L421-R424 PolarHBondContact O-N 3.24Å; L421-R424 VanDerWaalsContact O-N 3.12Å; D422-R424 VanDerWaalsContact C-N 3.27Å; D422-R424 PolarHBondContact O-N 2.98Å; D422-R424 VanDerWaalsContact O-N 3.16Å; R424-Q426 VanDerWaalsContact C-N 3.32Å; R424-Q426 PolarHBondContact O-N 2.8Å; R424-E427 VanDerWaalsContact CD-OE2 3.31Å; R424-E427 WeakPolarHBondContact CD-OE2 3.39Å; R424-E427 IonicContact CZ-OE1 3.84Å; R424-E427 IonicContact CZ-OE2 3.24Å; R424-E427 IonicContact NE-OE1 3.31Å; R424-E427 IonicContact NE-OE2 3.66Å; R424-E427 IonicContact NH1-OE1 3.54Å; R424-E427 PolarHBondContact NH1-OE1 3.14Å; R424-E427 IonicContact NH1-OE2 3.37Å; R424-E427 PolarHBondContact NH1-OE2 2.99Å; R424-E427 WeakPolarHBondContact O-CA 3.3Å; R424-E427 WeakPolarHBondContact O-CB 3.3Å; R424-E427 PolarHBondContact O-N 3.2Å; R424-E427 VanDerWaalsContact O-N 3.1Å; R424-Y429 HydrophobicContact CB-CD2 4.2Å; R424-Y429 HydrophobicContact CB-CG 4.45Å; R424-Y429 VanDerWaalsContact O-CB 3.3Å; R424-Y429 WeakPolarHBondContact O-CB 3.26Å; R424-Y429 WeakPolarHBondContact O-CD2 3.43Å; R424-Y429 PolarHBondContact O-N 3.13Å; R424-Y429 VanDerWaalsContact O-N 3.16Å; R424-L445 HydrophobicContact CB-CD1 3.61Å; R424-L445 HydrophobicContact CG-CD1 4.34Å; R424-F457 HydrophobicContact CG-CD1 4.04Å; R424-F457 HydrophobicContact CG-CE1 3.68Å; R424-F457 HydrophobicContact CG-CZ 4.06Å; R424-L512 PolarHBondContact NH1-O 3.13Å; R424-N515 PolarHBondContact NH2-ND2 3.19Å; R424-N515 PolarHBondContact NH2-OD1 3.14Å |
| 425 | L | 78.7 | Confident | 79 | Confident | 32.5 Ų | 32.5 | 28.3 Ų | 28.3 | 17% | 0.17 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58 | -45.8 | 173.8 | -67.3 | 172.8 | 0 | 0 | 0 | 110.2 | F25 I28 H312 L421 D422 E427 G428 Y429 V431 L445 | F25-L425 HydrophobicContact CB-CD1 4.23Å; F25-L425 HydrophobicContact CD2-CD1 4.2Å; I28-L425 HydrophobicContact CB-CD1 4.23Å; I28-L425 HydrophobicContact CD1-CD1 3.42Å; I28-L425 VanDerWaalsContact CD1-CD1 3.42Å; I28-L425 HydrophobicContact CD1-CD2 3.28Å; I28-L425 HydrophobicContact CD1-CG 3.96Å; I28-L425 HydrophobicContact CG1-CD1 4.37Å; I28-L425 HydrophobicContact CG2-CD1 4.43Å; H312-L425 PolarHBondContact NE2-O 2.84Å; L421-L425 HydrophobicContact CD1-CD1 4.21Å; L421-L425 HydrophobicContact CD1-CD2 4.47Å; L421-L425 HydrophobicContact CD1-CG 4.17Å; L421-L425 HydrophobicContact CG-CD1 3.96Å; L421-L425 HydrophobicContact CG-CG 4.34Å; L421-L425 VanDerWaalsContact O-CG 3.27Å; L421-L425 WeakPolarHBondContact O-CG 3.42Å; L421-L425 PolarHBondContact O-N 2.95Å; D422-L425 PolarHBondContact O-N 2.72Å; D422-L425 VanDerWaalsContact O-N 3.15Å; L425-E427 PolarHBondContact O-N 3.42Å; L425-G428 PolarHBondContact O-N 3.02Å; L425-Y429 WeakPolarHBondContact CD2-O 3.29Å; L425-V431 HydrophobicContact CD2-CG2 4.14Å; L425-L445 HydrophobicContact CD2-CD2 4.49Å |
| 426 | Q | 70.5 | Confident | 79.8 | Confident | 55.5 Ų | 55.5 | 32.1 Ų | 32.1 | 26% | 0.259 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18.5 | 176.1 | -64.1 | 166.8 | -9.5 | 0 | 0 | 114 | D422 R424 G428 K603 | D422-Q426 WeakPolarHBondContact O-CB 3.34Å; D422-Q426 VanDerWaalsContact O-CG 3.3Å; D422-Q426 WeakPolarHBondContact O-CG 3.4Å; D422-Q426 PolarHBondContact O-N 3.32Å; D422-Q426 PolarHBondContact OD1-NE2 3.41Å; D422-Q426 PolarHBondContact OD2-NE2 3.46Å; D422-Q426 VanDerWaalsContact OD2-NE2 3.14Å; R424-Q426 VanDerWaalsContact C-N 3.32Å; R424-Q426 PolarHBondContact O-N 2.8Å; Q426-G428 VanDerWaalsContact C-N 3.32Å; Q426-K603 HydrophobicContact CB-CB 3.9Å; Q426-K603 HydrophobicContact CB-CD 4.05Å; Q426-K603 HydrophobicContact CB-CG 3.88Å; Q426-K603 HydrophobicContact CG-CB 4.31Å; Q426-K603 PolarHBondContact NE2-O 3.12Å; Q426-K603 VanDerWaalsContact O-CD 3.31Å; Q426-K603 WeakPolarHBondContact O-CD 3.03Å; Q426-K603 VanDerWaalsContact O-CE 3.29Å; Q426-K603 WeakPolarHBondContact O-CE 3.21Å; Q426-K603 VanDerWaalsContact OE1-CA 3.24Å; Q426-K603 VanDerWaalsContact OE1-CB 3.24Å; Q426-K603 PolarHBondContact OE1-O 2.91Å |
| 427 | E | 71.9 | Confident | 80.3 | Confident | 16 Ų | 16 | 33.2 Ų | 33.2 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.4 | 174.7 | -88 | 176.2 | -149.3 | 0 | 0 | 114.4 | A423 R424 L425 Y429 R447 H511 S514 K603 | A423-E427 VanDerWaalsContact O-CG 3.3Å; A423-E427 WeakPolarHBondContact O-CG 3.34Å; A423-E427 PolarHBondContact O-N 3.24Å; A423-E427 VanDerWaalsContact O-N 3.12Å; R424-E427 VanDerWaalsContact CD-OE2 3.31Å; R424-E427 WeakPolarHBondContact CD-OE2 3.39Å; R424-E427 IonicContact CZ-OE1 3.84Å; R424-E427 IonicContact CZ-OE2 3.24Å; R424-E427 IonicContact NE-OE1 3.31Å; R424-E427 IonicContact NE-OE2 3.66Å; R424-E427 IonicContact NH1-OE1 3.54Å; R424-E427 PolarHBondContact NH1-OE1 3.14Å; R424-E427 IonicContact NH1-OE2 3.37Å; R424-E427 PolarHBondContact NH1-OE2 2.99Å; R424-E427 WeakPolarHBondContact O-CA 3.3Å; R424-E427 WeakPolarHBondContact O-CB 3.3Å; R424-E427 PolarHBondContact O-N 3.2Å; R424-E427 VanDerWaalsContact O-N 3.1Å; L425-E427 PolarHBondContact O-N 3.42Å; E427-Y429 HydrophobicContact CB-CD2 3.89Å; E427-Y429 HydrophobicContact CB-CE2 4.13Å; E427-Y429 WeakPolarHBondContact OE2-CE2 3.28Å; E427-R447 PolarHBondContact O-NE 2.93Å; E427-R447 VanDerWaalsContact O-NE 3.11Å; E427-R447 PolarHBondContact O-NH1 2.83Å; E427-R447 PolarHBondContact O-NH2 3.15Å; E427-H511 IonicContact OE2-CE1 3.46Å; E427-H511 PolarHBondContact OE2-CE1 2.95Å; E427-H511 IonicContact OE2-ND1 3.45Å; E427-H511 PolarHBondContact OE2-ND1 3.22Å; E427-S514 WeakPolarHBondContact OE1-CB 3.31Å; E427-S514 PolarHBondContact OE1-OG 2.89Å; E427-K603 HydrophobicContact CG-CD 4.3Å |
| 428 | G | 74.5 | Confident | 80.3 | Confident | 6.5 Ų | 6.5 | 39.9 Ų | 39.9 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 109.6 | 9.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L425 Q426 R447 | L425-G428 PolarHBondContact O-N 3.02Å; Q426-G428 VanDerWaalsContact C-N 3.32Å; G428-R447 WeakPolarHBondContact O-CB 3.31Å; G428-R447 VanDerWaalsContact O-CG 3.27Å; G428-R447 WeakPolarHBondContact O-CG 3.38Å |
| 429 | Y | 81.3 | Confident | 80.6 | Confident | 6.5 Ų | 6.5 | 40.2 Ų | 40.2 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | trans | -89.1 | 140.6 | 177.1 | -71.1 | -96.2 | 0 | 0 | 0 | 111.5 | R424 L425 E427 L445 I446 R447 F455 F457 L512 | R424-Y429 HydrophobicContact CB-CD2 4.2Å; R424-Y429 HydrophobicContact CB-CG 4.45Å; R424-Y429 VanDerWaalsContact O-CB 3.3Å; R424-Y429 WeakPolarHBondContact O-CB 3.26Å; R424-Y429 WeakPolarHBondContact O-CD2 3.43Å; R424-Y429 PolarHBondContact O-N 3.13Å; R424-Y429 VanDerWaalsContact O-N 3.16Å; L425-Y429 WeakPolarHBondContact CD2-O 3.29Å; E427-Y429 HydrophobicContact CB-CD2 3.89Å; E427-Y429 HydrophobicContact CB-CE2 4.13Å; E427-Y429 WeakPolarHBondContact OE2-CE2 3.28Å; Y429-L445 HydrophobicContact CD1-CB 4.02Å; Y429-L445 HydrophobicContact CG-CB 4.41Å; Y429-I446 CarbonylContact C-O 3.6Å; Y429-I446 WeakPolarHBondContact CA-O 3.46Å; Y429-R447 HydrophobicContact CD1-CB 3.52Å; Y429-R447 HydrophobicContact CD2-CB 4.22Å; Y429-R447 HydrophobicContact CE1-CB 3.69Å; Y429-R447 HydrophobicContact CE2-CB 4.2Å; Y429-R447 HydrophobicContact CG-CB 3.81Å; Y429-F455 HydrophobicContact CE1-CB 4Å; Y429-F457 HydrophobicContact CD1-CB 4.03Å; Y429-F457 HydrophobicContact CE1-CB 3.7Å; Y429-L512 PolarHBondContact OH-O 3.45Å | ||
| 430 | H | 82.3 | Confident | 81.3 | Confident | 19.5 Ų | 19.5 | 41 Ų | 41 | 9% | 0.09 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.6 | 178.5 | -58.3 | -51 | 0 | 0 | 0 | 110.5 | H312 V349 Q351 V383 K432 L445 I446 | H312-H430 AromaticContact CE1-CE1 3.58Å; H312-H430 AromaticContact ND1-CE1 3.98Å; V349-H430 PolarHBondContact O-NE2 2.92Å; Q351-H430 VanDerWaalsContact CG-CE1 3.49Å; Q351-H430 WeakPolarHBondContact CG-CE1 3.2Å; Q351-H430 PolarHBondContact NE2-CE1 3.36Å; Q351-H430 VanDerWaalsContact NE2-CE1 3.34Å; Q351-H430 PolarHBondContact NE2-ND1 3.04Å; V383-H430 HydrophobicContact CG2-CB 3.91Å; H430-K432 PolarHBondContact O-N 3.16Å; H430-L445 CarbonylContact O-C 3.42Å; H430-L445 VanDerWaalsContact O-CA 3.22Å; H430-L445 WeakPolarHBondContact O-CA 3.44Å; H430-I446 HydrophobicContact CB-CG2 4.37Å; H430-I446 PolarHBondContact N-O 3.17Å; H430-I446 PolarHBondContact O-N 3.16Å |
| 431 | V | 86.5 | Confident | 81.8 | Confident | 18.5 Ų | 18.5 | 41.3 Ų | 41.3 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 112.1 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | I28 P382 V383 L425 V434 I443 L445 | I28-V431 HydrophobicContact CD1-CG2 3.42Å; I28-V431 VanDerWaalsContact CD1-CG2 3.42Å; I28-V431 HydrophobicContact CG1-CG2 4.09Å; P382-V431 HydrophobicContact CB-CG1 4.13Å; V383-V431 PolarHBondContact N-O 3.42Å; L425-V431 HydrophobicContact CD2-CG2 4.14Å; V431-V434 HydrophobicContact CG1-CG2 3.79Å; V431-I443 HydrophobicContact CG1-CG2 4.31Å; V431-I443 HydrophobicContact CG2-CG2 4.24Å; V431-L445 HydrophobicContact CB-CD2 4.3Å; V431-L445 HydrophobicContact CG2-CD2 3.71Å |
| 432 | K | 85.1 | Confident | 82.2 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 37% | 0.365 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -43.5 | 177.3 | 174.2 | 169.4 | -178.5 | 173.8 | 0 | 112.1 | H430 N444 I446 F456 | H430-K432 PolarHBondContact O-N 3.16Å; K432-N444 WeakPolarHBondContact CA-O 3.42Å; K432-N444 WeakPolarHBondContact CB-O 3.46Å; K432-N444 PolarHBondContact N-O 3.28Å; K432-I446 HydrophobicContact CB-CB 4.27Å; K432-I446 HydrophobicContact CB-CG2 4Å; K432-I446 HydrophobicContact CD-CB 4.44Å; K432-I446 HydrophobicContact CD-CD1 4.42Å; K432-F456 HydrophobicContact CD-CD1 4.34Å; K432-F456 HydrophobicContact CD-CE1 4.02Å |
| 433 | S | 87.2 | Confident | 82.9 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 154.2 | 177.7 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | N444 | S433-N444 PolarHBondContact N-O 3.35Å; S433-N444 PolarHBondContact O-N 2.97Å; S433-N444 WeakPolarHBondContact OG-CB 3.35Å; S433-N444 PolarHBondContact OG-ND2 3.04Å; S433-N444 VanDerWaalsContact OG-ND2 3.08Å |
| 434 | V | 87.9 | Confident | 83.8 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 116.8 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 107.1 | Y31 L35 P66 V431 I441 R442 I443 | Y31-V434 HydrophobicContact CE1-CG2 3.98Å; L35-V434 HydrophobicContact CD1-CG1 4.28Å; P66-V434 HydrophobicContact CB-CB 4.48Å; P66-V434 WeakPolarHBondContact CB-O 3.48Å; V431-V434 HydrophobicContact CG1-CG2 3.79Å; V434-I441 HydrophobicContact CG1-CD1 3.94Å; V434-I441 HydrophobicContact CG1-CG1 4.03Å; V434-R442 CarbonylContact C-O 3.6Å; V434-R442 WeakPolarHBondContact CA-O 3.23Å; V434-I443 HydrophobicContact CG1-CG1 4.4Å; V434-I443 HydrophobicContact CG2-CG1 4.46Å; V434-I443 HydrophobicContact CG2-CG2 4.45Å |
| 435 | D | 88.5 | Confident | 84.2 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.2 | 176.3 | -44.2 | -40.6 | 0 | 0 | 0 | 108.1 | R442 N444 | D435-R442 HydrophobicContact CB-CB 4.22Å; D435-R442 PolarHBondContact N-O 3.15Å; D435-R442 PolarHBondContact O-N 3.25Å; D435-R442 WeakPolarHBondContact OD2-CD 3.18Å; D435-R442 IonicContact OD2-CZ 3.21Å; D435-R442 IonicContact OD2-NH1 2.74Å; D435-R442 PolarHBondContact OD2-NH1 3.38Å; D435-N444 PolarHBondContact OD1-ND2 3.48Å; D435-N444 PolarHBondContact OD2-ND2 2.79Å |
| 436 | L | 87.2 | Confident | 84.6 | Confident | 78.5 Ų | 78.5 | 43.5 Ų | 43.5 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.1 | 176.2 | -152.4 | 88.1 | 0 | 0 | 0 | 110.1 | L36 P66 I441 W463 | L36-L436 HydrophobicContact CD1-CD2 3.7Å; L36-L436 HydrophobicContact CD2-CD2 4.43Å; L36-L436 HydrophobicContact CG-CD2 4.2Å; P66-L436 HydrophobicContact CG-CB 3.78Å; L436-I441 HydrophobicContact CD1-CB 4.11Å; L436-I441 HydrophobicContact CD1-CD1 3.91Å; L436-I441 HydrophobicContact CD1-CG1 3.94Å; L436-W463 HydrophobicContact CD1-CD2 3.76Å; L436-W463 HydrophobicContact CD1-CE3 4.09Å; L436-W463 HydrophobicContact CD1-CG 4.13Å; L436-W463 HydrophobicContact CD1-CH2 4.47Å; L436-W463 HydrophobicContact CD1-CZ2 4.18Å; L436-W463 HydrophobicContact CD1-CZ3 4.42Å; L436-W463 HydrophobicContact CD2-CZ2 4.45Å |
| 437 | S | 85.4 | Confident | 85.1 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 34% | 0.343 | 23% | 0.233 | S | C | . | . | trans | -117 | 172.5 | 167.9 | 70.4 | 0 | 0 | 0 | 0 | 109.9 | S439 T440 | S437-S439 PolarHBondContact O-N 2.89Å; S437-S439 VanDerWaalsContact O-N 3.14Å; S437-T440 WeakPolarHBondContact CB-O 3.37Å; S437-T440 PolarHBondContact N-O 3.16Å; S437-T440 WeakPolarHBondContact OG-CA 3.37Å; S437-T440 PolarHBondContact OG-N 3.27Å; S437-T440 PolarHBondContact OG-O 3.42Å; S437-T440 PolarHBondContact OG-OG1 2.88Å | ||
| 438 | T | 81.5 | Confident | 85.5 | Confident | 145.5 Ų | 145.5 | 42 Ų | 42 | 89% | 0.893 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -57.9 | -26.2 | -176.8 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 439 | S | 84.4 | Confident | 85.4 | Confident | 73 Ų | 73 | 43 Ų | 43 | 51% | 0.51 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -135.4 | -5.3 | -177 | 58.6 | 0 | 0 | 0 | 0 | 115 | S437 W463 | S437-S439 PolarHBondContact O-N 2.89Å; S437-S439 VanDerWaalsContact O-N 3.14Å; S439-W463 PolarHBondContact O-N 3.36Å |
| 440 | T | 88.3 | Confident | 84.9 | Confident | 50.5 Ų | 50.5 | 45.4 Ų | 45.4 | 31% | 0.31 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 144 | 179.3 | 68.5 | 0 | 0 | 0 | 0 | 111.9 | S437 G461 | S437-T440 WeakPolarHBondContact CB-O 3.37Å; S437-T440 PolarHBondContact N-O 3.16Å; S437-T440 WeakPolarHBondContact OG-CA 3.37Å; S437-T440 PolarHBondContact OG-N 3.27Å; S437-T440 PolarHBondContact OG-O 3.42Å; S437-T440 PolarHBondContact OG-OG1 2.88Å; T440-G461 CarbonylContact C-O 3.57Å; T440-G461 VanDerWaalsContact CA-O 3.22Å; T440-G461 WeakPolarHBondContact CA-O 3.4Å; T440-G461 VanDerWaalsContact CB-O 3.28Å; T440-G461 WeakPolarHBondContact CB-O 3.39Å |
| 441 | I | 89.3 | Confident | 84.2 | Confident | 7.5 Ų | 7.5 | 49.1 Ų | 49.1 | 4% | 0.038 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135 | 170.9 | -176 | 170.1 | 0 | 0 | 0 | 108.7 | L32 M417 V434 L436 I443 T460 G461 W463 | L32-I441 HydrophobicContact CD2-CD1 3.73Å; M417-I441 HydrophobicContact CE-CG2 3.52Å; M417-I441 VanDerWaalsContact CE-CG2 3.45Å; M417-I441 HydrophobicContact SD-CG2 3.57Å; M417-I441 WeakPolarHBondContact SD-CG2 3.35Å; V434-I441 HydrophobicContact CG1-CD1 3.94Å; V434-I441 HydrophobicContact CG1-CG1 4.03Å; L436-I441 HydrophobicContact CD1-CB 4.11Å; L436-I441 HydrophobicContact CD1-CD1 3.91Å; L436-I441 HydrophobicContact CD1-CG1 3.94Å; I441-I443 HydrophobicContact CD1-CG1 4.4Å; I441-I443 HydrophobicContact CG1-CG1 4.27Å; I441-T460 WeakPolarHBondContact O-CA 3.41Å; I441-G461 PolarHBondContact N-O 3.17Å; I441-G461 PolarHBondContact O-N 3.07Å; I441-G461 VanDerWaalsContact O-N 3.13Å; I441-W463 HydrophobicContact CB-CB 4.22Å; I441-W463 HydrophobicContact CB-CD2 4.47Å; I441-W463 HydrophobicContact CB-CE3 4.02Å; I441-W463 HydrophobicContact CD1-CE3 3.88Å; I441-W463 HydrophobicContact CD1-CZ3 3.89Å; I441-W463 HydrophobicContact CG1-CE3 4.42Å; I441-W463 HydrophobicContact CG2-CB 4.44Å; I441-W463 HydrophobicContact CG2-CE3 4.09Å |
| 442 | R | 89.8 | Confident | 83.4 | Confident | 102 Ų | 102 | 54.6 Ų | 54.6 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.9 | 172.6 | -175 | -175.2 | -57.5 | 134.5 | 4 | 109.8 | V434 D435 N444 I459 | V434-R442 CarbonylContact C-O 3.6Å; V434-R442 WeakPolarHBondContact CA-O 3.23Å; D435-R442 HydrophobicContact CB-CB 4.22Å; D435-R442 PolarHBondContact N-O 3.15Å; D435-R442 PolarHBondContact O-N 3.25Å; D435-R442 WeakPolarHBondContact OD2-CD 3.18Å; D435-R442 IonicContact OD2-CZ 3.21Å; D435-R442 IonicContact OD2-NH1 2.74Å; D435-R442 PolarHBondContact OD2-NH1 3.38Å; R442-N444 WeakPolarHBondContact CD-OD1 3.37Å; R442-I459 CarbonylContact C-O 3.51Å; R442-I459 VanDerWaalsContact CA-O 3.26Å; R442-I459 WeakPolarHBondContact CA-O 3.26Å |
| 443 | I | 89.9 | Confident | 82.9 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.6 | 175.4 | -55.5 | 174.9 | 0 | 0 | 0 | 107.5 | L32 M417 L421 V431 V434 I441 L445 S458 I459 | L32-I443 HydrophobicContact CD1-CD1 3.92Å; L32-I443 HydrophobicContact CD2-CD1 4.03Å; M417-I443 HydrophobicContact SD-CD1 4.1Å; L421-I443 HydrophobicContact CD1-CD1 4.41Å; L421-I443 HydrophobicContact CD1-CG2 4.08Å; L421-I443 HydrophobicContact CD2-CD1 3.88Å; V431-I443 HydrophobicContact CG1-CG2 4.31Å; V431-I443 HydrophobicContact CG2-CG2 4.24Å; V434-I443 HydrophobicContact CG1-CG1 4.4Å; V434-I443 HydrophobicContact CG2-CG1 4.46Å; V434-I443 HydrophobicContact CG2-CG2 4.45Å; I441-I443 HydrophobicContact CD1-CG1 4.4Å; I441-I443 HydrophobicContact CG1-CG1 4.27Å; I443-L445 HydrophobicContact CG2-CD2 3.73Å; I443-L445 HydrophobicContact CG2-CG 4.36Å; I443-S458 CarbonylContact O-C 3.57Å; I443-S458 WeakPolarHBondContact O-CA 3.26Å; I443-I459 HydrophobicContact CB-CB 4.35Å; I443-I459 PolarHBondContact N-O 3.16Å; I443-I459 PolarHBondContact O-N 3.04Å |
| 444 | N | 89.8 | Confident | 82.6 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 117.8 | 177.4 | -60 | -48.9 | 0 | 0 | 0 | 109.1 | K432 S433 D435 R442 S458 | K432-N444 WeakPolarHBondContact CA-O 3.42Å; K432-N444 WeakPolarHBondContact CB-O 3.46Å; K432-N444 PolarHBondContact N-O 3.28Å; S433-N444 PolarHBondContact N-O 3.35Å; S433-N444 PolarHBondContact O-N 2.97Å; S433-N444 WeakPolarHBondContact OG-CB 3.35Å; S433-N444 PolarHBondContact OG-ND2 3.04Å; S433-N444 VanDerWaalsContact OG-ND2 3.08Å; D435-N444 PolarHBondContact OD1-ND2 3.48Å; D435-N444 PolarHBondContact OD2-ND2 2.79Å; R442-N444 WeakPolarHBondContact CD-OD1 3.37Å; N444-S458 WeakPolarHBondContact OD1-CB 3.37Å; N444-S458 PolarHBondContact OD1-OG 3.33Å |
| 445 | L | 88.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 152.5 | 177.7 | -49.6 | 177.1 | 0 | 0 | 0 | 111.3 | L421 R424 L425 Y429 H430 V431 I443 F456 F457 I459 | L421-L445 HydrophobicContact CD1-CD1 4.18Å; L421-L445 HydrophobicContact CD1-CD2 3.94Å; R424-L445 HydrophobicContact CB-CD1 3.61Å; R424-L445 HydrophobicContact CG-CD1 4.34Å; L425-L445 HydrophobicContact CD2-CD2 4.49Å; Y429-L445 HydrophobicContact CD1-CB 4.02Å; Y429-L445 HydrophobicContact CG-CB 4.41Å; H430-L445 CarbonylContact O-C 3.42Å; H430-L445 VanDerWaalsContact O-CA 3.22Å; H430-L445 WeakPolarHBondContact O-CA 3.44Å; V431-L445 HydrophobicContact CB-CD2 4.3Å; V431-L445 HydrophobicContact CG2-CD2 3.71Å; I443-L445 HydrophobicContact CG2-CD2 3.73Å; I443-L445 HydrophobicContact CG2-CG 4.36Å; L445-F456 CarbonylContact O-C 3.5Å; L445-F456 WeakPolarHBondContact O-CA 3.44Å; L445-F457 WeakPolarHBondContact CA-O 3.17Å; L445-F457 HydrophobicContact CB-CB 4.24Å; L445-F457 VanDerWaalsContact CB-O 3.26Å; L445-F457 WeakPolarHBondContact CB-O 3.46Å; L445-F457 HydrophobicContact CD1-CD1 4.05Å; L445-F457 WeakPolarHBondContact CG-O 3.26Å; L445-F457 PolarHBondContact N-O 2.82Å; L445-F457 PolarHBondContact O-N 3.14Å; L445-I459 HydrophobicContact CD1-CD1 4.02Å |
| 446 | I | 86.2 | Confident | 82.2 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 141.6 | 174.9 | -168.4 | 176.9 | 0 | 0 | 0 | 110.7 | Y429 H430 K432 D454 F455 F456 | Y429-I446 CarbonylContact C-O 3.6Å; Y429-I446 WeakPolarHBondContact CA-O 3.46Å; H430-I446 HydrophobicContact CB-CG2 4.37Å; H430-I446 PolarHBondContact N-O 3.17Å; H430-I446 PolarHBondContact O-N 3.16Å; K432-I446 HydrophobicContact CB-CB 4.27Å; K432-I446 HydrophobicContact CB-CG2 4Å; K432-I446 HydrophobicContact CD-CB 4.44Å; K432-I446 HydrophobicContact CD-CD1 4.42Å; I446-D454 HydrophobicContact CD1-CB 4.38Å; I446-D454 HydrophobicContact CG1-CB 4.42Å; I446-F455 CarbonylContact C-O 3.52Å; I446-F455 VanDerWaalsContact CA-O 3.29Å; I446-F455 WeakPolarHBondContact CA-O 3.42Å; I446-F456 HydrophobicContact CB-CD1 4.32Å; I446-F456 HydrophobicContact CB-CE1 4.28Å; I446-F456 HydrophobicContact CD1-CD1 4.37Å; I446-F456 HydrophobicContact CD1-CE1 3.54Å; I446-F456 HydrophobicContact CD1-CZ 3.82Å; I446-F456 HydrophobicContact CG1-CD1 4.09Å; I446-F456 HydrophobicContact CG1-CE1 3.74Å; I446-F456 HydrophobicContact CG1-CZ 4.19Å |
| 447 | R | 82.7 | Confident | 82.1 | Confident | 26.5 Ų | 26.5 | 42.9 Ų | 42.9 | 10% | 0.1 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 119.1 | 170.6 | 174.2 | 174.9 | 177 | -160.2 | 1.9 | 109.5 | E427 G428 Y429 F455 H511 L512 | E427-R447 PolarHBondContact O-NE 2.93Å; E427-R447 VanDerWaalsContact O-NE 3.11Å; E427-R447 PolarHBondContact O-NH1 2.83Å; E427-R447 PolarHBondContact O-NH2 3.15Å; G428-R447 WeakPolarHBondContact O-CB 3.31Å; G428-R447 VanDerWaalsContact O-CG 3.27Å; G428-R447 WeakPolarHBondContact O-CG 3.38Å; Y429-R447 HydrophobicContact CD1-CB 3.52Å; Y429-R447 HydrophobicContact CD2-CB 4.22Å; Y429-R447 HydrophobicContact CE1-CB 3.69Å; Y429-R447 HydrophobicContact CE2-CB 4.2Å; Y429-R447 HydrophobicContact CG-CB 3.81Å; R447-F455 HydrophobicContact CB-CB 4.35Å; R447-F455 PolarHBondContact N-O 3.27Å; R447-F455 PolarHBondContact O-N 3.11Å; R447-H511 PolarHBondContact NH1-CE1 3.13Å; R447-L512 VanDerWaalsContact CZ-CD2 3.45Å |
| 448 | A | 79 | Confident | 82.3 | Confident | 13 Ų | 13 | 41.9 Ų | 41.9 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 132.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | F345 V349 D454 | F345-A448 HydrophobicContact CD2-CB 4.45Å; F345-A448 HydrophobicContact CE2-CB 3.9Å; V349-A448 HydrophobicContact CG2-CB 3.92Å; A448-D454 WeakPolarHBondContact CA-OD1 3.45Å; A448-D454 WeakPolarHBondContact CB-OD1 3.47Å |
| 449 | W | 72.6 | Confident | 82.6 | Confident | 29 Ų | 29 | 34.9 Ų | 34.9 | 11% | 0.11 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | -41.7 | -176.9 | 176.8 | 53.4 | 0 | 0 | 0 | 113.6 | Q305 F345 V453 F455 L486 F504 | Q305-W449 PolarHBondContact NE2-O 3Å; F345-W449 WeakPolarHBondContact CZ-O 3.48Å; W449-V453 HydrophobicContact CE3-CG1 3.93Å; W449-V453 PolarHBondContact N-O 3.27Å; W449-F455 HydrophobicContact CB-CD2 3.64Å; W449-F455 HydrophobicContact CB-CE2 3.41Å; W449-F455 VanDerWaalsContact CB-CE2 3.46Å; W449-F455 AromaticContact CD2-CE2 3.76Å; W449-F455 HydrophobicContact CD2-CE2 3.76Å; W449-F455 HydrophobicContact CD2-CZ 4.38Å; W449-F455 AromaticContact CE3-CE2 3.76Å; W449-F455 HydrophobicContact CE3-CE2 3.76Å; W449-F455 AromaticContact CE3-CZ 3.96Å; W449-F455 HydrophobicContact CE3-CZ 4.15Å; W449-F455 HydrophobicContact CG-CD2 4.32Å; W449-F455 AromaticContact CG-CE2 3.63Å; W449-F455 HydrophobicContact CG-CE2 3.63Å; W449-L486 HydrophobicContact CH2-CD2 4Å; W449-L486 HydrophobicContact CZ3-CD2 3.91Å; W449-F504 HydrophobicContact CE3-CE2 4.43Å; W449-F504 AromaticContact CH2-CD2 3.49Å; W449-F504 HydrophobicContact CH2-CD2 3.49Å; W449-F504 VanDerWaalsContact CH2-CD2 3.49Å; W449-F504 AromaticContact CH2-CE2 3.29Å; W449-F504 HydrophobicContact CH2-CE2 3.29Å; W449-F504 HydrophobicContact CH2-CZ 4.5Å; W449-F504 AromaticContact CZ2-CD2 3.82Å; W449-F504 HydrophobicContact CZ2-CD2 3.82Å; W449-F504 AromaticContact CZ2-CE2 3.71Å; W449-F504 HydrophobicContact CZ2-CE2 3.71Å; W449-F504 HydrophobicContact CZ3-CD2 4.3Å; W449-F504 AromaticContact CZ3-CE2 3.69Å; W449-F504 HydrophobicContact CZ3-CE2 3.69Å |
| 450 | K | 70.7 | Confident | 82.8 | Confident | 55 Ų | 55 | 32.4 Ų | 32.4 | 24% | 0.239 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 173.7 | 169.9 | -67.8 | -164.4 | 177.5 | -161.7 | 0 | 108.6 | N301 E452 V453 | N301-K450 WeakPolarHBondContact OD1-CE 3.4Å; N301-K450 PolarHBondContact OD1-NZ 3.35Å; K450-E452 PolarHBondContact O-N 3.04Å; K450-E452 VanDerWaalsContact O-N 3.13Å; K450-V453 HydrophobicContact CB-CB 4.21Å; K450-V453 HydrophobicContact CB-CG2 4.2Å; K450-V453 PolarHBondContact O-N 3.27Å |
| 451 | Y | 66.9 | Low | 82.7 | Confident | 98.5 Ų | 98.5 | 30.5 Ų | 30.5 | 39% | 0.386 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 122.9 | 173 | -111.6 | -89.8 | 0 | 0 | 0 | 111.2 | E341 L342 F345 V453 | E341-Y451 HydrophobicContact CB-CD1 4.3Å; E341-Y451 HydrophobicContact CB-CE1 4.02Å; L342-Y451 VanDerWaalsContact CA-OH 3.23Å; L342-Y451 WeakPolarHBondContact CA-OH 3.42Å; L342-Y451 WeakPolarHBondContact CB-OH 3.24Å; L342-Y451 VanDerWaalsContact CD1-OH 3.25Å; L342-Y451 WeakPolarHBondContact CD1-OH 3.39Å; F345-Y451 HydrophobicContact CB-CD1 4.11Å; F345-Y451 HydrophobicContact CB-CE1 3.86Å; F345-Y451 HydrophobicContact CG-CD1 4.36Å; F345-Y451 HydrophobicContact CG-CE1 4.28Å; Y451-V453 PolarHBondContact O-N 3.15Å; Y451-V453 VanDerWaalsContact O-N 3.13Å |
| 452 | E | 70 | Confident | 82.4 | Confident | 134 Ų | 134 | 32.5 Ų | 32.5 | 63% | 0.626 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 11.8 | -176.7 | -52.6 | -171.4 | 144.9 | 0 | 0 | 116.3 | K450 P479 | K450-E452 PolarHBondContact O-N 3.04Å; K450-E452 VanDerWaalsContact O-N 3.13Å; E452-P479 HydrophobicContact CB-CG 3.68Å; E452-P479 WeakPolarHBondContact O-CD 3.24Å; E452-P479 WeakPolarHBondContact OE2-CG 3.29Å |
| 453 | V | 76.1 | Confident | 82 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 105.8 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | W449 K450 Y451 F455 I476 E477 A478 M482 | W449-V453 HydrophobicContact CE3-CG1 3.93Å; W449-V453 PolarHBondContact N-O 3.27Å; K450-V453 HydrophobicContact CB-CB 4.21Å; K450-V453 HydrophobicContact CB-CG2 4.2Å; K450-V453 PolarHBondContact O-N 3.27Å; Y451-V453 PolarHBondContact O-N 3.15Å; Y451-V453 VanDerWaalsContact O-N 3.13Å; V453-F455 HydrophobicContact CG1-CE2 4.46Å; V453-I476 HydrophobicContact CG1-CG2 4.32Å; V453-E477 WeakPolarHBondContact CA-O 3.36Å; V453-A478 HydrophobicContact CB-CB 4.41Å; V453-A478 HydrophobicContact CG1-CB 4.14Å; V453-A478 HydrophobicContact CG2-CB 3.83Å; V453-M482 HydrophobicContact CG2-SD 3.92Å |
| 454 | D | 80.1 | Confident | 81.2 | Confident | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.6 | -179.2 | -77.4 | -39.1 | 0 | 0 | 0 | 111.5 | R348 I446 A448 F456 E477 | R348-D454 IonicContact CZ-OD1 3.22Å; R348-D454 IonicContact CZ-OD2 2.98Å; R348-D454 IonicContact NH1-OD2 3.94Å; R348-D454 IonicContact NH2-OD1 2.88Å; R348-D454 PolarHBondContact NH2-OD1 2.69Å; R348-D454 IonicContact NH2-OD2 3.69Å; R348-D454 PolarHBondContact NH2-OD2 3.13Å; I446-D454 HydrophobicContact CD1-CB 4.38Å; I446-D454 HydrophobicContact CG1-CB 4.42Å; A448-D454 WeakPolarHBondContact CA-OD1 3.45Å; A448-D454 WeakPolarHBondContact CB-OD1 3.47Å; D454-F456 HydrophobicContact CB-CD2 4.45Å; D454-F456 HydrophobicContact CB-CE2 3.64Å; D454-F456 HydrophobicContact CB-CZ 3.92Å; D454-E477 PolarHBondContact N-O 3.26Å; D454-E477 PolarHBondContact O-N 3.37Å |
| 455 | F | 82.6 | Confident | 80.3 | Confident | 8.5 Ų | 8.5 | 37.4 Ų | 37.4 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 131.2 | 165.7 | -71.1 | -89.7 | 0 | 0 | 0 | 109.8 | Y429 I446 R447 W449 V453 I476 F490 L512 | Y429-F455 HydrophobicContact CE1-CB 4Å; I446-F455 CarbonylContact C-O 3.52Å; I446-F455 VanDerWaalsContact CA-O 3.29Å; I446-F455 WeakPolarHBondContact CA-O 3.42Å; R447-F455 HydrophobicContact CB-CB 4.35Å; R447-F455 PolarHBondContact N-O 3.27Å; R447-F455 PolarHBondContact O-N 3.11Å; W449-F455 HydrophobicContact CB-CD2 3.64Å; W449-F455 HydrophobicContact CB-CE2 3.41Å; W449-F455 VanDerWaalsContact CB-CE2 3.46Å; W449-F455 AromaticContact CD2-CE2 3.76Å; W449-F455 HydrophobicContact CD2-CE2 3.76Å; W449-F455 HydrophobicContact CD2-CZ 4.38Å; W449-F455 AromaticContact CE3-CE2 3.76Å; W449-F455 HydrophobicContact CE3-CE2 3.76Å; W449-F455 AromaticContact CE3-CZ 3.96Å; W449-F455 HydrophobicContact CE3-CZ 4.15Å; W449-F455 HydrophobicContact CG-CD2 4.32Å; W449-F455 AromaticContact CG-CE2 3.63Å; W449-F455 HydrophobicContact CG-CE2 3.63Å; V453-F455 HydrophobicContact CG1-CE2 4.46Å; F455-I476 HydrophobicContact CD1-CD1 4.09Å; F455-I476 HydrophobicContact CD1-CG1 3.66Å; F455-I476 HydrophobicContact CE1-CD1 3.49Å; F455-I476 VanDerWaalsContact CE1-CD1 3.45Å; F455-I476 HydrophobicContact CE1-CG1 3.61Å; F455-I476 HydrophobicContact CZ-CD1 4.23Å; F455-I476 HydrophobicContact CZ-CG1 4.44Å; F455-F490 HydrophobicContact CE1-CE1 4.33Å; F455-F490 HydrophobicContact CE1-CZ 4.21Å; F455-F490 HydrophobicContact CZ-CE2 4.45Å; F455-F490 AromaticContact CZ-CZ 3.91Å; F455-F490 HydrophobicContact CZ-CZ 3.91Å; F455-L512 HydrophobicContact CZ-CD1 4.42Å |
| 456 | F | 84.8 | Confident | 79.2 | Confident | 24 Ų | 24 | 42.3 Ų | 42.3 | 11% | 0.105 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.6 | 172.9 | -64.1 | -86.2 | 0 | 0 | 0 | 109.5 | K432 L445 I446 D454 W474 K475 E477 | K432-F456 HydrophobicContact CD-CD1 4.34Å; K432-F456 HydrophobicContact CD-CE1 4.02Å; L445-F456 CarbonylContact O-C 3.5Å; L445-F456 WeakPolarHBondContact O-CA 3.44Å; I446-F456 HydrophobicContact CB-CD1 4.32Å; I446-F456 HydrophobicContact CB-CE1 4.28Å; I446-F456 HydrophobicContact CD1-CD1 4.37Å; I446-F456 HydrophobicContact CD1-CE1 3.54Å; I446-F456 HydrophobicContact CD1-CZ 3.82Å; I446-F456 HydrophobicContact CG1-CD1 4.09Å; I446-F456 HydrophobicContact CG1-CE1 3.74Å; I446-F456 HydrophobicContact CG1-CZ 4.19Å; D454-F456 HydrophobicContact CB-CD2 4.45Å; D454-F456 HydrophobicContact CB-CE2 3.64Å; D454-F456 HydrophobicContact CB-CZ 3.92Å; F456-W474 CarbonylContact O-C 3.5Å; F456-W474 VanDerWaalsContact O-CA 3.23Å; F456-W474 WeakPolarHBondContact O-CA 3.26Å; F456-K475 HydrophobicContact CB-CB 4.13Å; F456-K475 HydrophobicContact CD2-CD 4.39Å; F456-K475 HydrophobicContact CD2-CG 4.41Å; F456-K475 PolarHBondContact N-O 3.08Å; F456-K475 PolarHBondContact O-N 3.02Å; F456-E477 HydrophobicContact CD2-CG 4.05Å; F456-E477 HydrophobicContact CE2-CB 3.95Å; F456-E477 HydrophobicContact CE2-CG 3.58Å; F456-E477 WeakPolarHBondContact CE2-OE2 3.17Å; F456-E477 VanDerWaalsContact CZ-OE2 3.26Å; F456-E477 WeakPolarHBondContact CZ-OE2 3.41Å |
| 457 | F | 85.9 | Confident | 78 | Confident | 3.5 Ų | 3.5 | 47.6 Ų | 47.6 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 110.8 | -179.7 | -168.5 | -89.3 | 0 | 0 | 0 | 110 | V420 R424 Y429 L445 I459 V472 K473 W474 | V420-F457 HydrophobicContact CG1-CE1 4.07Å; V420-F457 HydrophobicContact CG1-CZ 4.32Å; R424-F457 HydrophobicContact CG-CD1 4.04Å; R424-F457 HydrophobicContact CG-CE1 3.68Å; R424-F457 HydrophobicContact CG-CZ 4.06Å; Y429-F457 HydrophobicContact CD1-CB 4.03Å; Y429-F457 HydrophobicContact CE1-CB 3.7Å; L445-F457 WeakPolarHBondContact CA-O 3.17Å; L445-F457 HydrophobicContact CB-CB 4.24Å; L445-F457 VanDerWaalsContact CB-O 3.26Å; L445-F457 WeakPolarHBondContact CB-O 3.46Å; L445-F457 HydrophobicContact CD1-CD1 4.05Å; L445-F457 WeakPolarHBondContact CG-O 3.26Å; L445-F457 PolarHBondContact N-O 2.82Å; L445-F457 PolarHBondContact O-N 3.14Å; F457-I459 HydrophobicContact CD1-CD1 4.19Å; F457-I459 HydrophobicContact CD1-CG1 3.71Å; F457-I459 HydrophobicContact CE1-CD1 3.93Å; F457-I459 HydrophobicContact CE1-CG1 3.52Å; F457-I459 VanDerWaalsContact CE1-CG1 3.49Å; F457-V472 HydrophobicContact CD1-CG1 4.26Å; F457-V472 HydrophobicContact CD2-CG1 4.11Å; F457-V472 HydrophobicContact CE1-CB 4.14Å; F457-V472 HydrophobicContact CE1-CG1 3.71Å; F457-V472 VanDerWaalsContact CE1-CG1 3.49Å; F457-V472 HydrophobicContact CE2-CB 4.27Å; F457-V472 HydrophobicContact CE2-CG1 3.28Å; F457-V472 HydrophobicContact CZ-CB 4.01Å; F457-V472 HydrophobicContact CZ-CG1 3.34Å; F457-V472 HydrophobicContact CZ-CG2 4.24Å; F457-K473 CarbonylContact C-O 3.59Å; F457-K473 WeakPolarHBondContact CA-O 3.32Å; F457-W474 HydrophobicContact CD2-CB 3.87Å; F457-W474 HydrophobicContact CE2-CB 4.37Å |
| 458 | S | 88.5 | Confident | 77.2 | Confident | 27.5 Ų | 27.5 | 55.4 Ų | 55.4 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.1 | 179.4 | -61.4 | 0 | 0 | 0 | 0 | 110.5 | I443 N444 V472 K473 | I443-S458 CarbonylContact O-C 3.57Å; I443-S458 WeakPolarHBondContact O-CA 3.26Å; N444-S458 WeakPolarHBondContact OD1-CB 3.37Å; N444-S458 PolarHBondContact OD1-OG 3.33Å; S458-V472 WeakPolarHBondContact O-CA 3.41Å; S458-K473 PolarHBondContact N-O 3.33Å; S458-K473 PolarHBondContact O-N 3.26Å |
| 459 | I | 88.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.2 | 175.4 | -55.5 | 176.5 | 0 | 0 | 0 | 107.6 | M417 V420 L421 R442 I443 L445 F457 V470 | M417-I459 HydrophobicContact CE-CG2 4.41Å; M417-I459 HydrophobicContact CG-CG2 3.89Å; V420-I459 HydrophobicContact CB-CD1 4.48Å; V420-I459 HydrophobicContact CG1-CD1 3.96Å; V420-I459 HydrophobicContact CG1-CG1 4.38Å; L421-I459 HydrophobicContact CB-CD1 4.2Å; L421-I459 HydrophobicContact CD1-CD1 4.15Å; R442-I459 CarbonylContact C-O 3.51Å; R442-I459 VanDerWaalsContact CA-O 3.26Å; R442-I459 WeakPolarHBondContact CA-O 3.26Å; I443-I459 HydrophobicContact CB-CB 4.35Å; I443-I459 PolarHBondContact N-O 3.16Å; I443-I459 PolarHBondContact O-N 3.04Å; L445-I459 HydrophobicContact CD1-CD1 4.02Å; F457-I459 HydrophobicContact CD1-CD1 4.19Å; F457-I459 HydrophobicContact CD1-CG1 3.71Å; F457-I459 HydrophobicContact CE1-CD1 3.93Å; F457-I459 HydrophobicContact CE1-CG1 3.52Å; F457-I459 VanDerWaalsContact CE1-CG1 3.49Å; I459-V470 HydrophobicContact CG2-CB 4.23Å; I459-V470 HydrophobicContact CG2-CG1 3.33Å |
| 460 | T | 88.6 | Confident | 77.2 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.8 | 178 | -45.2 | 0 | 0 | 0 | 0 | 110.5 | I441 V470 I471 | I441-T460 WeakPolarHBondContact O-CA 3.41Å; T460-V470 WeakPolarHBondContact O-CG1 3.38Å; T460-I471 PolarHBondContact N-O 3.15Å; T460-I471 PolarHBondContact O-N 3.14Å |
| 461 | G | 86.2 | Confident | 77.8 | Confident | 10.5 Ų | 10.5 | 59 Ų | 59 | 11% | 0.108 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | -177.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M417 T440 I441 | M417-G461 VanDerWaalsContact CE-N 3.29Å; T440-G461 CarbonylContact C-O 3.57Å; T440-G461 VanDerWaalsContact CA-O 3.22Å; T440-G461 WeakPolarHBondContact CA-O 3.4Å; T440-G461 VanDerWaalsContact CB-O 3.28Å; T440-G461 WeakPolarHBondContact CB-O 3.39Å; I441-G461 PolarHBondContact N-O 3.17Å; I441-G461 PolarHBondContact O-N 3.07Å; I441-G461 VanDerWaalsContact O-N 3.13Å |
| 462 | A | 84 | Confident | 78.5 | Confident | 48.5 Ų | 48.5 | 54.4 Ų | 54.4 | 40% | 0.401 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 148.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P464 D466 | A462-P464 CarbonylContact C-O 3.44Å; A462-P464 CarbonylContact O-C 3.59Å; A462-D466 HydrophobicContact CB-CB 4.16Å |
| 463 | W | 81.1 | Confident | 79.1 | Confident | 79.5 Ų | 79.5 | 51.6 Ų | 51.6 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -123.6 | 128.4 | 171.9 | 179.9 | -104.8 | 0 | 0 | 0 | 109.9 | L35 L436 S439 I441 V465 | L35-W463 HydrophobicContact CB-CH2 3.99Å; L35-W463 HydrophobicContact CB-CZ2 4.49Å; L436-W463 HydrophobicContact CD1-CD2 3.76Å; L436-W463 HydrophobicContact CD1-CE3 4.09Å; L436-W463 HydrophobicContact CD1-CG 4.13Å; L436-W463 HydrophobicContact CD1-CH2 4.47Å; L436-W463 HydrophobicContact CD1-CZ2 4.18Å; L436-W463 HydrophobicContact CD1-CZ3 4.42Å; L436-W463 HydrophobicContact CD2-CZ2 4.45Å; S439-W463 PolarHBondContact O-N 3.36Å; I441-W463 HydrophobicContact CB-CB 4.22Å; I441-W463 HydrophobicContact CB-CD2 4.47Å; I441-W463 HydrophobicContact CB-CE3 4.02Å; I441-W463 HydrophobicContact CD1-CE3 3.88Å; I441-W463 HydrophobicContact CD1-CZ3 3.89Å; I441-W463 HydrophobicContact CG1-CE3 4.42Å; I441-W463 HydrophobicContact CG2-CB 4.44Å; I441-W463 HydrophobicContact CG2-CE3 4.09Å; W463-V465 HydrophobicContact CE3-CG2 4Å; W463-V465 HydrophobicContact CZ3-CG2 3.8Å |
| 464 | P | 73.5 | Confident | 79.2 | Confident | 103.5 Ų | 103.5 | 53.5 Ų | 53.5 | 67% | 0.672 | 27% | 0.273 | S | S | * | . | S | Bend | cis | -58.7 | 160.8 | -2.3 | -21.3 | 33.6 | 0 | 0 | 0 | 113.6 | A462 D466 | A462-P464 CarbonylContact C-O 3.44Å; A462-P464 CarbonylContact O-C 3.59Å; P464-D466 PolarHBondContact O-N 3.19Å |
| 465 | V | 69.6 | Low | 79.2 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 34% | 0.339 | 28% | 0.276 | S | S | . | . | trans | -60.7 | 104.2 | -172.1 | -174.4 | 0 | 0 | 0 | 0 | 110.6 | M417 L418 W463 | M417-V465 HydrophobicContact CB-CG1 4.13Å; M417-V465 HydrophobicContact CG-CG1 4.43Å; M417-V465 HydrophobicContact SD-CG1 4.16Å; M417-V465 HydrophobicContact SD-CG2 4.49Å; L418-V465 HydrophobicContact CG-CG1 4.24Å; W463-V465 HydrophobicContact CE3-CG2 4Å; W463-V465 HydrophobicContact CZ3-CG2 3.8Å | ||
| 466 | D | 65.3 | Low | 78.9 | Confident | 103.5 Ų | 103.5 | 54.4 Ų | 54.4 | 55% | 0.553 | 28% | 0.275 | S | S | * | . | trans | -98.2 | 150.8 | 176.1 | -161.3 | 2.4 | 0 | 0 | 0 | 110.5 | A462 P464 R468 | A462-D466 HydrophobicContact CB-CB 4.16Å; P464-D466 PolarHBondContact O-N 3.19Å; D466-R468 VanDerWaalsContact C-N 3.34Å; D466-R468 PolarHBondContact O-N 2.98Å | ||
| 467 | E | 61.4 | Low | 78.6 | Confident | 131.5 Ų | 131.5 | 55 Ų | 55 | 61% | 0.614 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -79.1 | 1.8 | -164 | -63.9 | -170.1 | 154.6 | 0 | 0 | 115 | C416 R526 | C416-E467 WeakPolarHBondContact CA-O 3.46Å; E467-R526 PolarHBondContact O-NH2 3.39Å; E467-R526 VanDerWaalsContact O-NH2 3.14Å |
| 468 | R | 65.9 | Low | 78.1 | Confident | 190.5 Ų | 190.5 | 54.9 Ų | 54.9 | 72% | 0.719 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -126.9 | 113.3 | -162.1 | -59.5 | -172.8 | -175.6 | -168.6 | 1.1 | 113.6 | D466 | D466-R468 VanDerWaalsContact C-N 3.34Å; D466-R468 PolarHBondContact O-N 2.98Å |
| 469 | N | 72.7 | Confident | 77.3 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | trans | 66.3 | 115.6 | 167.1 | -58.6 | -11.8 | 0 | 0 | 0 | 114.4 | E414 A415 R526 | E414-N469 WeakPolarHBondContact CA-OD1 3.47Å; E414-N469 WeakPolarHBondContact CG-OD1 3.11Å; A415-N469 PolarHBondContact O-N 2.81Å; N469-R526 PolarHBondContact OD1-NH2 3.25Å | ||
| 470 | V | 79.3 | Confident | 76.4 | Confident | 3.5 Ų | 3.5 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.7 | -177.5 | -152 | 0 | 0 | 0 | 0 | 109.5 | V413 A415 M417 V420 I459 T460 V472 | V413-V470 PolarHBondContact N-O 3.44Å; V413-V470 PolarHBondContact O-N 2.92Å; A415-V470 VanDerWaalsContact O-CG2 3.27Å; A415-V470 WeakPolarHBondContact O-CG2 3.3Å; M417-V470 HydrophobicContact CB-CG1 3.99Å; M417-V470 HydrophobicContact CB-CG2 3.97Å; M417-V470 HydrophobicContact CE-CG1 3.83Å; M417-V470 HydrophobicContact CG-CG1 4.22Å; V420-V470 HydrophobicContact CG2-CG2 4.03Å; I459-V470 HydrophobicContact CG2-CB 4.23Å; I459-V470 HydrophobicContact CG2-CG1 3.33Å; T460-V470 WeakPolarHBondContact O-CG1 3.38Å; V470-V472 HydrophobicContact CG1-CG2 4.31Å |
| 471 | I | 82.4 | Confident | 75.4 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 41% | 0.41 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.5 | 173.4 | -55.8 | 177.3 | 0 | 0 | 0 | 107.3 | T412 T460 | T412-I471 HydrophobicContact CG2-CG1 4.32Å; T460-I471 PolarHBondContact N-O 3.15Å; T460-I471 PolarHBondContact O-N 3.14Å |
| 472 | V | 82.7 | Confident | 74.5 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132 | 179.4 | -114.3 | 0 | 0 | 0 | 0 | 109.4 | H411 V413 V420 F457 S458 V470 | H411-V472 HydrophobicContact CB-CG2 4.12Å; H411-V472 PolarHBondContact N-O 2.83Å; H411-V472 WeakPolarHBondContact O-CG2 3.29Å; H411-V472 PolarHBondContact O-N 2.79Å; V413-V472 HydrophobicContact CB-CG2 3.89Å; V413-V472 HydrophobicContact CG2-CB 4.27Å; V413-V472 HydrophobicContact CG2-CG1 4.37Å; V413-V472 HydrophobicContact CG2-CG2 3.62Å; V420-V472 HydrophobicContact CG1-CG1 4.02Å; F457-V472 HydrophobicContact CD1-CG1 4.26Å; F457-V472 HydrophobicContact CD2-CG1 4.11Å; F457-V472 HydrophobicContact CE1-CB 4.14Å; F457-V472 HydrophobicContact CE1-CG1 3.71Å; F457-V472 VanDerWaalsContact CE1-CG1 3.49Å; F457-V472 HydrophobicContact CE2-CB 4.27Å; F457-V472 HydrophobicContact CE2-CG1 3.28Å; F457-V472 HydrophobicContact CZ-CB 4.01Å; F457-V472 HydrophobicContact CZ-CG1 3.34Å; F457-V472 HydrophobicContact CZ-CG2 4.24Å; S458-V472 WeakPolarHBondContact O-CA 3.41Å; V470-V472 HydrophobicContact CG1-CG2 4.31Å |
| 473 | K | 82.1 | Confident | 73.7 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.1 | 173.8 | -56.1 | -174.9 | 176.5 | 176.7 | 0 | 108.4 | Y409 N410 F457 S458 | Y409-K473 WeakPolarHBondContact O-CA 3.4Å; N410-K473 HydrophobicContact CB-CG 4.2Å; N410-K473 WeakPolarHBondContact OD1-CD 3.28Å; N410-K473 VanDerWaalsContact OD1-CG 3.27Å; N410-K473 WeakPolarHBondContact OD1-CG 3.2Å; F457-K473 CarbonylContact C-O 3.59Å; F457-K473 WeakPolarHBondContact CA-O 3.32Å; S458-K473 PolarHBondContact N-O 3.33Å; S458-K473 PolarHBondContact O-N 3.26Å |
| 474 | W | 79.1 | Confident | 72.7 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 16% | 0.163 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148 | 173.5 | 66.4 | -94.2 | 0 | 0 | 0 | 111 | L407 Q408 Y409 F456 F457 I476 F490 V513 | L407-W474 HydrophobicContact CD2-CH2 3.99Å; L407-W474 HydrophobicContact CD2-CZ3 4.12Å; Q408-W474 WeakPolarHBondContact CA-O 3.29Å; Y409-W474 VanDerWaalsContact CB-CZ2 3.42Å; Y409-W474 HydrophobicContact CD2-CD2 4.36Å; Y409-W474 AromaticContact CD2-CE2 3.78Å; Y409-W474 HydrophobicContact CD2-CE3 4.39Å; Y409-W474 AromaticContact CD2-CH2 3.27Å; Y409-W474 HydrophobicContact CD2-CH2 3.77Å; Y409-W474 AromaticContact CD2-CZ2 3.6Å; Y409-W474 HydrophobicContact CD2-CZ2 3.6Å; Y409-W474 AromaticContact CD2-CZ3 3.88Å; Y409-W474 HydrophobicContact CD2-CZ3 3.88Å; Y409-W474 AromaticContact CE2-CH2 3.56Å; Y409-W474 HydrophobicContact CE2-CH2 3.56Å; Y409-W474 AromaticContact CE2-CZ2 3.83Å; Y409-W474 HydrophobicContact CE2-CZ2 3.83Å; Y409-W474 HydrophobicContact CE2-CZ3 4.31Å; Y409-W474 HydrophobicContact CG-CH2 4.35Å; Y409-W474 AromaticContact CG-CZ2 3.75Å; Y409-W474 HydrophobicContact CG-CZ2 3.75Å; Y409-W474 PolarHBondContact N-O 3.33Å; Y409-W474 PolarHBondContact O-N 2.88Å; F456-W474 CarbonylContact O-C 3.5Å; F456-W474 VanDerWaalsContact O-CA 3.23Å; F456-W474 WeakPolarHBondContact O-CA 3.26Å; F457-W474 HydrophobicContact CD2-CB 3.87Å; F457-W474 HydrophobicContact CE2-CB 4.37Å; W474-I476 HydrophobicContact CE3-CD1 4.38Å; W474-I476 HydrophobicContact CE3-CG1 4.11Å; W474-I476 HydrophobicContact CZ3-CD1 3.68Å; W474-I476 HydrophobicContact CZ3-CG1 3.84Å; W474-F490 HydrophobicContact CH2-CB 4.35Å; W474-F490 AromaticContact CH2-CD1 3.51Å; W474-F490 HydrophobicContact CH2-CD1 3.51Å; W474-F490 AromaticContact CH2-CE1 3.69Å; W474-F490 HydrophobicContact CH2-CE1 3.69Å; W474-F490 HydrophobicContact CH2-CG 4.1Å; W474-F490 HydrophobicContact CH2-CZ 4.42Å; W474-F490 HydrophobicContact CZ2-CD1 4.25Å; W474-F490 HydrophobicContact CZ2-CE1 4.47Å; W474-F490 HydrophobicContact CZ3-CD1 4.32Å; W474-F490 HydrophobicContact CZ3-CE1 4.16Å; W474-F490 HydrophobicContact CZ3-CZ 4.5Å; W474-V513 HydrophobicContact CD2-CG1 4.24Å; W474-V513 HydrophobicContact CG-CG1 4.32Å; W474-V513 HydrophobicContact CZ2-CG1 4.19Å |
| 475 | K | 80 | Confident | 72.1 | Confident | 48 Ų | 48 | 58.8 Ų | 58.8 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 144.8 | -175.7 | 165.9 | -169.6 | 174.2 | -149 | 0 | 109.6 | L407 Q408 F456 E477 | L407-K475 CarbonylContact O-C 3.56Å; L407-K475 WeakPolarHBondContact O-CA 3.27Å; L407-K475 WeakPolarHBondContact O-CG 3.49Å; Q408-K475 HydrophobicContact CB-CB 4.49Å; F456-K475 HydrophobicContact CB-CB 4.13Å; F456-K475 HydrophobicContact CD2-CD 4.39Å; F456-K475 HydrophobicContact CD2-CG 4.41Å; F456-K475 PolarHBondContact N-O 3.08Å; F456-K475 PolarHBondContact O-N 3.02Å; K475-E477 VanDerWaalsContact CE-CG 3.45Å; K475-E477 WeakPolarHBondContact CE-OE1 3.08Å; K475-E477 IonicContact NZ-OE1 3.14Å; K475-E477 PolarHBondContact NZ-OE1 3.19Å; K475-E477 IonicContact NZ-OE2 3.17Å; K475-E477 PolarHBondContact NZ-OE2 3.48Å |
| 476 | I | 76.3 | Confident | 71.7 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131 | 172.8 | -56.5 | 174.5 | 0 | 0 | 0 | 108.5 | R406 L407 V453 F455 W474 A478 F490 | R406-I476 WeakPolarHBondContact CA-O 3.48Å; L407-I476 PolarHBondContact N-O 3.13Å; L407-I476 PolarHBondContact O-N 2.93Å; V453-I476 HydrophobicContact CG1-CG2 4.32Å; F455-I476 HydrophobicContact CD1-CD1 4.09Å; F455-I476 HydrophobicContact CD1-CG1 3.66Å; F455-I476 HydrophobicContact CE1-CD1 3.49Å; F455-I476 VanDerWaalsContact CE1-CD1 3.45Å; F455-I476 HydrophobicContact CE1-CG1 3.61Å; F455-I476 HydrophobicContact CZ-CD1 4.23Å; F455-I476 HydrophobicContact CZ-CG1 4.44Å; W474-I476 HydrophobicContact CE3-CD1 4.38Å; W474-I476 HydrophobicContact CE3-CG1 4.11Å; W474-I476 HydrophobicContact CZ3-CD1 3.68Å; W474-I476 HydrophobicContact CZ3-CG1 3.84Å; I476-A478 HydrophobicContact CG2-CB 4.41Å; I476-F490 HydrophobicContact CD1-CD1 4.43Å; I476-F490 HydrophobicContact CD1-CD2 3.98Å; I476-F490 HydrophobicContact CD1-CE1 4.36Å; I476-F490 HydrophobicContact CD1-CE2 3.67Å; I476-F490 HydrophobicContact CD1-CG 4.1Å; I476-F490 HydrophobicContact CD1-CZ 3.93Å; I476-F490 VanDerWaalsContact CD1-CZ 3.47Å |
| 477 | E | 78.2 | Confident | 71.4 | Confident | 35.5 Ų | 35.5 | 55 Ų | 55 | 17% | 0.166 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.2 | 163.3 | -61 | -167 | 132.9 | 0 | 0 | 108.8 | R406 V453 D454 F456 K475 | R406-E477 HydrophobicContact CG-CG 4.25Å; R406-E477 IonicContact CZ-OE1 2.86Å; R406-E477 IonicContact NE-OE1 3.54Å; R406-E477 PolarHBondContact NE-OE1 3.28Å; R406-E477 IonicContact NH2-OE1 3.78Å; R406-E477 PolarHBondContact NH2-OE1 3.13Å; V453-E477 WeakPolarHBondContact CA-O 3.36Å; D454-E477 PolarHBondContact N-O 3.26Å; D454-E477 PolarHBondContact O-N 3.37Å; F456-E477 HydrophobicContact CD2-CG 4.05Å; F456-E477 HydrophobicContact CE2-CB 3.95Å; F456-E477 HydrophobicContact CE2-CG 3.58Å; F456-E477 WeakPolarHBondContact CE2-OE2 3.17Å; F456-E477 VanDerWaalsContact CZ-OE2 3.26Å; F456-E477 WeakPolarHBondContact CZ-OE2 3.41Å; K475-E477 VanDerWaalsContact CE-CG 3.45Å; K475-E477 WeakPolarHBondContact CE-OE1 3.08Å; K475-E477 IonicContact NZ-OE1 3.14Å; K475-E477 PolarHBondContact NZ-OE1 3.19Å; K475-E477 IonicContact NZ-OE2 3.17Å; K475-E477 PolarHBondContact NZ-OE2 3.48Å |
| 478 | A | 74.1 | Confident | 71 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 158 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R405 V453 I476 M482 F483 L486 | R405-A478 PolarHBondContact N-O 3.12Å; V453-A478 HydrophobicContact CB-CB 4.41Å; V453-A478 HydrophobicContact CG1-CB 4.14Å; V453-A478 HydrophobicContact CG2-CB 3.83Å; I476-A478 HydrophobicContact CG2-CB 4.41Å; A478-M482 HydrophobicContact CB-CB 4.42Å; A478-F483 HydrophobicContact CB-CD2 3.8Å; A478-F483 HydrophobicContact CB-CE2 3.68Å; A478-F483 WeakPolarHBondContact O-CE2 3.34Å; A478-L486 HydrophobicContact CB-CD1 4.19Å |
| 479 | P | 73.2 | Confident | 70.5 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 5% | 0.045 | 26% | 0.263 | C | S | . | . | trans | -54.9 | 144.3 | 170.1 | -27.1 | 37.3 | 0 | 0 | 0 | 111.4 | S402 E452 C481 M482 F483 | S402-P479 WeakPolarHBondContact OG-CB 3.3Å; E452-P479 HydrophobicContact CB-CG 3.68Å; E452-P479 WeakPolarHBondContact O-CD 3.24Å; E452-P479 WeakPolarHBondContact OE2-CG 3.29Å; P479-C481 PolarHBondContact O-N 3.37Å; P479-C481 VanDerWaalsContact O-N 3.11Å; P479-M482 PolarHBondContact O-N 2.81Å; P479-F483 PolarHBondContact O-N 3.16Å | ||
| 480 | S | 69 | Low | 69.6 | Low | 29.5 Ų | 29.5 | 45.4 Ų | 45.4 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.4 | 179.4 | -90.6 | 0 | 0 | 0 | 0 | 113.3 | S402 R403 M482 F483 P484 | S402-S480 PolarHBondContact OG-N 3.37Å; R403-S480 WeakPolarHBondContact CB-OG 3.31Å; R403-S480 VanDerWaalsContact O-CB 3.29Å; R403-S480 WeakPolarHBondContact O-CB 3.37Å; R403-S480 PolarHBondContact O-N 3.28Å; R403-S480 PolarHBondContact O-OG 3.12Å; S480-M482 VanDerWaalsContact C-N 3.32Å; S480-M482 PolarHBondContact O-N 3.41Å; S480-F483 PolarHBondContact O-N 3.19Å; S480-P484 VanDerWaalsContact O-CD 3.28Å; S480-P484 WeakPolarHBondContact O-CD 3.29Å |
| 481 | C | 68 | Low | 68.1 | Low | 93.5 Ų | 93.5 | 48 Ų | 48 | 63% | 0.632 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.5 | 177 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | P479 | P479-C481 PolarHBondContact O-N 3.37Å; P479-C481 VanDerWaalsContact O-N 3.11Å |
| 482 | M | 66.6 | Low | 66.3 | Low | 74.5 Ų | 74.5 | 48.7 Ų | 48.7 | 37% | 0.367 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -11.8 | 179.4 | -66.5 | -147.1 | -176.2 | 0 | 0 | 113.6 | V453 A478 P479 S480 P485 L486 | V453-M482 HydrophobicContact CG2-SD 3.92Å; A478-M482 HydrophobicContact CB-CB 4.42Å; P479-M482 PolarHBondContact O-N 2.81Å; S480-M482 VanDerWaalsContact C-N 3.32Å; S480-M482 PolarHBondContact O-N 3.41Å; M482-P485 VanDerWaalsContact O-CD 3.26Å; M482-P485 WeakPolarHBondContact O-CD 3.07Å; M482-P485 VanDerWaalsContact O-CG 3.31Å; M482-P485 WeakPolarHBondContact O-CG 3.41Å; M482-L486 HydrophobicContact CB-CD1 4.43Å; M482-L486 VanDerWaalsContact O-CD1 3.32Å; M482-L486 WeakPolarHBondContact O-CD1 3.32Å; M482-L486 WeakPolarHBondContact O-CG 3.37Å |
| 483 | F | 66.5 | Low | 64.3 | Low | 7.5 Ų | 7.5 | 58.3 Ų | 58.3 | 3% | 0.033 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.1 | -42.8 | -177.3 | -110.2 | -96 | 0 | 0 | 0 | 115.7 | R405 L407 A478 P479 S480 L486 I487 | R405-F483 VanDerWaalsContact C-CE2 3.45Å; R405-F483 VanDerWaalsContact C-CZ 3.44Å; R405-F483 HydrophobicContact CB-CB 4.44Å; R405-F483 HydrophobicContact CB-CD1 3.89Å; R405-F483 HydrophobicContact CB-CD2 3.49Å; R405-F483 VanDerWaalsContact CB-CD2 3.49Å; R405-F483 HydrophobicContact CB-CE1 3.92Å; R405-F483 HydrophobicContact CB-CE2 3.53Å; R405-F483 VanDerWaalsContact CB-CE2 3.49Å; R405-F483 HydrophobicContact CB-CG 3.66Å; R405-F483 HydrophobicContact CB-CZ 3.76Å; R405-F483 HydrophobicContact CG-CG 4.49Å; R405-F483 WeakPolarHBondContact O-CE2 3.17Å; R405-F483 VanDerWaalsContact O-CZ 3.27Å; R405-F483 WeakPolarHBondContact O-CZ 3.2Å; L407-F483 HydrophobicContact CB-CE1 4.03Å; L407-F483 HydrophobicContact CB-CZ 4.33Å; L407-F483 HydrophobicContact CD1-CE1 4.37Å; A478-F483 HydrophobicContact CB-CD2 3.8Å; A478-F483 HydrophobicContact CB-CE2 3.68Å; A478-F483 WeakPolarHBondContact O-CE2 3.34Å; P479-F483 PolarHBondContact O-N 3.16Å; S480-F483 PolarHBondContact O-N 3.19Å; F483-L486 PolarHBondContact O-N 3.27Å; F483-I487 HydrophobicContact CB-CD1 4.25Å; F483-I487 HydrophobicContact CD1-CD1 4.02Å; F483-I487 HydrophobicContact CD1-CG1 3.95Å; F483-I487 WeakPolarHBondContact O-CG1 3.47Å; F483-I487 PolarHBondContact O-N 3.31Å; F483-I487 VanDerWaalsContact O-N 3.11Å |
| 484 | P | 60.9 | Low | 62.1 | Low | 79 Ų | 79 | 62.2 Ų | 62.2 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -53.7 | -44.2 | -179.6 | -25.9 | 34.1 | 0 | 0 | 0 | 115.3 | S480 L486 P488 | S480-P484 VanDerWaalsContact O-CD 3.28Å; S480-P484 WeakPolarHBondContact O-CD 3.29Å; P484-L486 VanDerWaalsContact C-N 3.3Å; P484-L486 PolarHBondContact O-N 3.12Å; P484-P488 VanDerWaalsContact O-CD 3.24Å; P484-P488 WeakPolarHBondContact O-CD 3.32Å |
| 485 | P | 60.8 | Low | 60.1 | Low | 82 Ų | 82 | 64 Ų | 64 | 53% | 0.532 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73.2 | -17.3 | 175.8 | 27.3 | -34.8 | 0 | 0 | 0 | 114.3 | M482 | M482-P485 VanDerWaalsContact O-CD 3.26Å; M482-P485 WeakPolarHBondContact O-CD 3.07Å; M482-P485 VanDerWaalsContact O-CG 3.31Å; M482-P485 WeakPolarHBondContact O-CG 3.41Å |
| 486 | L | 60.6 | Low | 57.9 | Low | 18.5 Ų | 18.5 | 68.2 Ų | 68.2 | 10% | 0.097 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -86 | -37.9 | 179.9 | -65.2 | 173.6 | 0 | 0 | 0 | 112.7 | W449 A478 M482 F483 P484 K489 F490 F504 | W449-L486 HydrophobicContact CH2-CD2 4Å; W449-L486 HydrophobicContact CZ3-CD2 3.91Å; A478-L486 HydrophobicContact CB-CD1 4.19Å; M482-L486 HydrophobicContact CB-CD1 4.43Å; M482-L486 VanDerWaalsContact O-CD1 3.32Å; M482-L486 WeakPolarHBondContact O-CD1 3.32Å; M482-L486 WeakPolarHBondContact O-CG 3.37Å; F483-L486 PolarHBondContact O-N 3.27Å; P484-L486 VanDerWaalsContact C-N 3.3Å; P484-L486 PolarHBondContact O-N 3.12Å; L486-K489 WeakPolarHBondContact O-CB 3.26Å; L486-K489 PolarHBondContact O-N 2.91Å; L486-K489 VanDerWaalsContact O-N 3.13Å; L486-F490 HydrophobicContact CB-CD2 4.42Å; L486-F490 HydrophobicContact CB-CE2 4.46Å; L486-F490 HydrophobicContact CD2-CE2 4.4Å; L486-F490 VanDerWaalsContact O-CD2 3.29Å; L486-F490 WeakPolarHBondContact O-CD2 3.33Å; L486-F490 PolarHBondContact O-N 3.2Å; L486-F504 HydrophobicContact CD2-CE1 4.18Å; L486-F504 HydrophobicContact CD2-CE2 4.03Å; L486-F504 HydrophobicContact CD2-CZ 3.82Å |
| 487 | I | 59.1 | Low | 55.9 | Low | 61 Ų | 61 | 72 Ų | 72 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.6 | -48.5 | -173.3 | -67.4 | 159.8 | 0 | 0 | 0 | 113.4 | F483 K489 F490 A491 | F483-I487 HydrophobicContact CB-CD1 4.25Å; F483-I487 HydrophobicContact CD1-CD1 4.02Å; F483-I487 HydrophobicContact CD1-CG1 3.95Å; F483-I487 WeakPolarHBondContact O-CG1 3.47Å; F483-I487 PolarHBondContact O-N 3.31Å; F483-I487 VanDerWaalsContact O-N 3.11Å; I487-K489 PolarHBondContact O-N 3.17Å; I487-F490 PolarHBondContact O-N 3.29Å; I487-F490 VanDerWaalsContact O-N 3.1Å; I487-A491 HydrophobicContact CG2-CB 3.75Å; I487-A491 WeakPolarHBondContact O-CB 3.27Å; I487-A491 PolarHBondContact O-N 3.28Å |
| 488 | P | 54.6 | Low | 53.8 | Low | 85 Ų | 85 | 78.4 Ų | 78.4 | 55% | 0.552 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.9 | -32.4 | -178.8 | -21.9 | 32.6 | 0 | 0 | 0 | 113.1 | P484 F490 | P484-P488 VanDerWaalsContact O-CD 3.24Å; P484-P488 WeakPolarHBondContact O-CD 3.32Å; P488-F490 VanDerWaalsContact C-N 3.27Å; P488-F490 PolarHBondContact O-N 2.96Å |
| 489 | K | 54.9 | Low | 52 | Low | 98 Ų | 98 | 83.1 Ų | 83.1 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -75.4 | -12.8 | -179.4 | -58.3 | -169.7 | 179.7 | -169 | 0 | 113.2 | L486 I487 D501 G502 F504 N508 A509 | L486-K489 WeakPolarHBondContact O-CB 3.26Å; L486-K489 PolarHBondContact O-N 2.91Å; L486-K489 VanDerWaalsContact O-N 3.13Å; I487-K489 PolarHBondContact O-N 3.17Å; K489-D501 PolarHBondContact NZ-O 3.46Å; K489-G502 PolarHBondContact NZ-O 3.22Å; K489-F504 HydrophobicContact CB-CD1 3.95Å; K489-F504 HydrophobicContact CB-CE1 4.45Å; K489-F504 HydrophobicContact CD-CB 3.85Å; K489-F504 HydrophobicContact CD-CD1 4Å; K489-F504 HydrophobicContact CD-CG 4.34Å; K489-N508 PolarHBondContact O-ND2 3.17Å; K489-N508 VanDerWaalsContact O-ND2 3.14Å; K489-A509 HydrophobicContact CB-CB 4.26Å |
| 490 | F | 53.5 | Low | 50.2 | Low | 24.5 Ų | 24.5 | 86.1 Ų | 86.1 | 11% | 0.107 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -122.6 | -17.6 | -178.7 | -68.9 | -65 | 0 | 0 | 0 | 115 | L407 Y409 F455 W474 I476 L486 I487 P488 T492 F504 N508 A509 V513 | L407-F490 HydrophobicContact CD2-CB 4.19Å; L407-F490 HydrophobicContact CD2-CD2 4.32Å; L407-F490 HydrophobicContact CD2-CG 4.35Å; Y409-F490 PolarHBondContact OH-O 2.83Å; Y409-F490 VanDerWaalsContact OH-O 3.06Å; F455-F490 HydrophobicContact CE1-CE1 4.33Å; F455-F490 HydrophobicContact CE1-CZ 4.21Å; F455-F490 HydrophobicContact CZ-CE2 4.45Å; F455-F490 AromaticContact CZ-CZ 3.91Å; F455-F490 HydrophobicContact CZ-CZ 3.91Å; W474-F490 HydrophobicContact CH2-CB 4.35Å; W474-F490 AromaticContact CH2-CD1 3.51Å; W474-F490 HydrophobicContact CH2-CD1 3.51Å; W474-F490 AromaticContact CH2-CE1 3.69Å; W474-F490 HydrophobicContact CH2-CE1 3.69Å; W474-F490 HydrophobicContact CH2-CG 4.1Å; W474-F490 HydrophobicContact CH2-CZ 4.42Å; W474-F490 HydrophobicContact CZ2-CD1 4.25Å; W474-F490 HydrophobicContact CZ2-CE1 4.47Å; W474-F490 HydrophobicContact CZ3-CD1 4.32Å; W474-F490 HydrophobicContact CZ3-CE1 4.16Å; W474-F490 HydrophobicContact CZ3-CZ 4.5Å; I476-F490 HydrophobicContact CD1-CD1 4.43Å; I476-F490 HydrophobicContact CD1-CD2 3.98Å; I476-F490 HydrophobicContact CD1-CE1 4.36Å; I476-F490 HydrophobicContact CD1-CE2 3.67Å; I476-F490 HydrophobicContact CD1-CG 4.1Å; I476-F490 HydrophobicContact CD1-CZ 3.93Å; I476-F490 VanDerWaalsContact CD1-CZ 3.47Å; L486-F490 HydrophobicContact CB-CD2 4.42Å; L486-F490 HydrophobicContact CB-CE2 4.46Å; L486-F490 HydrophobicContact CD2-CE2 4.4Å; L486-F490 VanDerWaalsContact O-CD2 3.29Å; L486-F490 WeakPolarHBondContact O-CD2 3.33Å; L486-F490 PolarHBondContact O-N 3.2Å; I487-F490 PolarHBondContact O-N 3.29Å; I487-F490 VanDerWaalsContact O-N 3.1Å; P488-F490 VanDerWaalsContact C-N 3.27Å; P488-F490 PolarHBondContact O-N 2.96Å; F490-T492 PolarHBondContact O-N 3.43Å; F490-F504 HydrophobicContact CD2-CE1 4.19Å; F490-F504 HydrophobicContact CE1-CE1 4.11Å; F490-F504 HydrophobicContact CE1-CZ 4.41Å; F490-F504 AromaticContact CE2-CE1 3.42Å; F490-F504 HydrophobicContact CE2-CE1 3.42Å; F490-F504 VanDerWaalsContact CE2-CE1 3.42Å; F490-F504 AromaticContact CE2-CZ 3.54Å; F490-F504 HydrophobicContact CE2-CZ 3.54Å; F490-F504 AromaticContact CZ-CE1 3.4Å; F490-F504 HydrophobicContact CZ-CE1 3.4Å; F490-F504 AromaticContact CZ-CZ 3.4Å; F490-F504 HydrophobicContact CZ-CZ 3.4Å; F490-F504 VanDerWaalsContact CZ-CZ 3.4Å; F490-N508 WeakPolarHBondContact CE1-OD1 3.18Å; F490-A509 HydrophobicContact CE1-CB 4.08Å; F490-A509 HydrophobicContact CZ-CB 4.18Å; F490-V513 HydrophobicContact CD1-CG2 4.46Å; F490-V513 HydrophobicContact CE1-CG2 4.3Å |
| 491 | A | 48.3 | Very low | 48.6 | Very low | 57.5 Ų | 57.5 | 92.2 Ų | 92.2 | 48% | 0.475 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -89.7 | -12.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I487 K493 | I487-A491 HydrophobicContact CG2-CB 3.75Å; I487-A491 WeakPolarHBondContact O-CB 3.27Å; I487-A491 PolarHBondContact O-N 3.28Å; A491-K493 PolarHBondContact O-N 3.22Å |
| 492 | T | 43.9 | Very low | 47.3 | Very low | 96.5 Ų | 96.5 | 90.8 Ų | 90.8 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -73.3 | 128 | 175.4 | 44.2 | 0 | 0 | 0 | 0 | 110.3 | F490 W494 | F490-T492 PolarHBondContact O-N 3.43Å; T492-W494 PolarHBondContact O-N 2.85Å; T492-W494 VanDerWaalsContact O-N 3.07Å |
| 493 | K | 40 | Very low | 45.9 | Very low | 202 Ų | 202 | 94.1 Ų | 94.1 | 88% | 0.878 | 55% | 0.551 | S | S | * | * | trans | -47.9 | 122.9 | 172.6 | -70.3 | 175.5 | 177.2 | 176.5 | 0 | 108.9 | A491 P495 | A491-K493 PolarHBondContact O-N 3.22Å; K493-P495 WeakPolarHBondContact O-CD 3.33Å; K493-P495 VanDerWaalsContact O-N 3.14Å | ||
| 494 | W | 36.7 | Very low | 44.4 | Very low | 158 Ų | 158 | 99.2 Ų | 99.2 | 60% | 0.598 | 57% | 0.574 | S | S | * | * | trans | -12.9 | 103.5 | 174.7 | -124.6 | -37 | 0 | 0 | 0 | 112.7 | T492 V496 L512 V513 | T492-W494 PolarHBondContact O-N 2.85Å; T492-W494 VanDerWaalsContact O-N 3.07Å; W494-V496 PolarHBondContact O-N 3.22Å; W494-L512 HydrophobicContact CG-CD2 4.47Å; W494-V513 HydrophobicContact CH2-CG1 4.41Å; W494-V513 HydrophobicContact CZ3-CG1 4.33Å | ||
| 495 | P | 36 | Very low | 43.2 | Very low | 81.5 Ų | 81.5 | 98.6 Ų | 98.6 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | trans | -74.6 | 98.1 | -176.6 | 28.4 | -31.4 | 0 | 0 | 0 | 109.8 | K493 S497 L512 | K493-P495 WeakPolarHBondContact O-CD 3.33Å; K493-P495 VanDerWaalsContact O-N 3.14Å; P495-S497 PolarHBondContact O-N 3.32Å; P495-L512 HydrophobicContact CG-CD1 4.49Å | ||
| 496 | V | 33.7 | Very low | 42.3 | Very low | 135.5 Ų | 135.5 | 99.3 Ų | 99.3 | 82% | 0.821 | 58% | 0.578 | S | S | * | * | trans | -85.7 | 75.9 | 154.2 | -174.1 | 0 | 0 | 0 | 0 | 106.5 | W494 | W494-V496 PolarHBondContact O-N 3.22Š| ||
| 497 | S | 34.4 | Very low | 41.7 | Very low | 85.5 Ų | 85.5 | 100.6 Ų | 100.6 | 60% | 0.598 | 59% | 0.588 | S | S | * | * | trans | -154.8 | 123.1 | 172.1 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | P495 S499 | P495-S497 PolarHBondContact O-N 3.32Å; S497-S499 PolarHBondContact O-N 3.21Å; S497-S499 VanDerWaalsContact O-N 3.13Å | ||
| 498 | N | 35.5 | Very low | 40.9 | Very low | 168.5 Ų | 168.5 | 100.2 Ų | 100.2 | 90% | 0.901 | 59% | 0.587 | S | S | * | * | trans | -73.2 | 105.3 | 168.5 | -70.2 | -15.7 | 0 | 0 | 0 | 108.8 | ||||
| 499 | S | 36 | Very low | 40.4 | Very low | 99.5 Ų | 99.5 | 97.8 Ų | 97.8 | 70% | 0.696 | 57% | 0.574 | S | S | * | * | trans | -143.3 | 124 | 158.4 | 49.3 | 0 | 0 | 0 | 0 | 107.8 | S497 D501 | S497-S499 PolarHBondContact O-N 3.21Å; S497-S499 VanDerWaalsContact O-N 3.13Å; S499-D501 PolarHBondContact O-N 3.24Å | ||
| 500 | G | 35.8 | Very low | 40.1 | Very low | 70 Ų | 70 | 100.1 Ų | 100.1 | 72% | 0.722 | 58% | 0.584 | S | S | * | * | trans | -71.5 | 138.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 501 | D | 34.5 | Very low | 40 | Very low | 157.5 Ų | 157.5 | 101.6 Ų | 101.6 | 84% | 0.842 | 59% | 0.592 | S | S | * | * | trans | 142.3 | 98.5 | 165.3 | -76.4 | -26 | 0 | 0 | 0 | 113.9 | K489 S499 | K489-D501 PolarHBondContact NZ-O 3.46Å; S499-D501 PolarHBondContact O-N 3.24Å | ||
| 502 | G | 40.3 | Very low | 40 | Very low | 65.5 Ų | 65.5 | 100.5 Ų | 100.5 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 119.9 | 92 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K489 F504 | K489-G502 PolarHBondContact NZ-O 3.22Å; G502-F504 PolarHBondContact O-N 2.57Å |
| 503 | E | 37.3 | Very low | 40.4 | Very low | 143.5 Ų | 143.5 | 97.7 Ų | 97.7 | 67% | 0.671 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 1.3 | -140.1 | 167.6 | -67.6 | 177.9 | 161.1 | 0 | 0 | 115.2 | A505 T506 S507 | E503-A505 PolarHBondContact O-N 2.71Å; E503-T506 PolarHBondContact O-OG1 3.47Å; E503-S507 PolarHBondContact O-N 3.14Å |
| 504 | F | 36.4 | Very low | 41.2 | Very low | 115 Ų | 115 | 89 Ų | 89 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -15 | -0.4 | 173.3 | -118.5 | -96.3 | 0 | 0 | 0 | 117.3 | W449 L486 K489 F490 G502 T506 S507 N508 | W449-F504 HydrophobicContact CE3-CE2 4.43Å; W449-F504 AromaticContact CH2-CD2 3.49Å; W449-F504 HydrophobicContact CH2-CD2 3.49Å; W449-F504 VanDerWaalsContact CH2-CD2 3.49Å; W449-F504 AromaticContact CH2-CE2 3.29Å; W449-F504 HydrophobicContact CH2-CE2 3.29Å; W449-F504 HydrophobicContact CH2-CZ 4.5Å; W449-F504 AromaticContact CZ2-CD2 3.82Å; W449-F504 HydrophobicContact CZ2-CD2 3.82Å; W449-F504 AromaticContact CZ2-CE2 3.71Å; W449-F504 HydrophobicContact CZ2-CE2 3.71Å; W449-F504 HydrophobicContact CZ3-CD2 4.3Å; W449-F504 AromaticContact CZ3-CE2 3.69Å; W449-F504 HydrophobicContact CZ3-CE2 3.69Å; L486-F504 HydrophobicContact CD2-CE1 4.18Å; L486-F504 HydrophobicContact CD2-CE2 4.03Å; L486-F504 HydrophobicContact CD2-CZ 3.82Å; K489-F504 HydrophobicContact CB-CD1 3.95Å; K489-F504 HydrophobicContact CB-CE1 4.45Å; K489-F504 HydrophobicContact CD-CB 3.85Å; K489-F504 HydrophobicContact CD-CD1 4Å; K489-F504 HydrophobicContact CD-CG 4.34Å; F490-F504 HydrophobicContact CD2-CE1 4.19Å; F490-F504 HydrophobicContact CE1-CE1 4.11Å; F490-F504 HydrophobicContact CE1-CZ 4.41Å; F490-F504 AromaticContact CE2-CE1 3.42Å; F490-F504 HydrophobicContact CE2-CE1 3.42Å; F490-F504 VanDerWaalsContact CE2-CE1 3.42Å; F490-F504 AromaticContact CE2-CZ 3.54Å; F490-F504 HydrophobicContact CE2-CZ 3.54Å; F490-F504 AromaticContact CZ-CE1 3.4Å; F490-F504 HydrophobicContact CZ-CE1 3.4Å; F490-F504 AromaticContact CZ-CZ 3.4Å; F490-F504 HydrophobicContact CZ-CZ 3.4Å; F490-F504 VanDerWaalsContact CZ-CZ 3.4Å; G502-F504 PolarHBondContact O-N 2.57Å; F504-T506 PolarHBondContact O-N 2.88Å; F504-S507 PolarHBondContact O-N 3.45Å; F504-N508 WeakPolarHBondContact CE1-ND2 3.45Å; F504-N508 PolarHBondContact O-N 3Å |
| 505 | A | 35.8 | Very low | 42.1 | Very low | 66 Ų | 66 | 82.9 Ų | 82.9 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77.6 | 21.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E503 N508 A509 | E503-A505 PolarHBondContact O-N 2.71Å; A505-N508 PolarHBondContact O-N 3.09Å; A505-A509 WeakPolarHBondContact O-CB 3.5Å; A505-A509 PolarHBondContact O-N 3.29Å |
| 506 | T | 41.9 | Very low | 43.3 | Very low | 97 Ų | 97 | 86.5 Ų | 86.5 | 60% | 0.595 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -14.7 | 25.9 | 169.5 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | E503 F504 N508 A509 K510 | E503-T506 PolarHBondContact O-OG1 3.47Å; F504-T506 PolarHBondContact O-N 2.88Å; T506-N508 PolarHBondContact O-N 3.01Å; T506-A509 PolarHBondContact O-N 2.64Å; T506-K510 WeakPolarHBondContact O-CB 3.27Å; T506-K510 WeakPolarHBondContact O-CG 3.37Å; T506-K510 PolarHBondContact O-N 3.27Å |
| 507 | S | 46.6 | Very low | 44.7 | Very low | 45 Ų | 45 | 81 Ų | 81 | 32% | 0.315 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -30.8 | -177.7 | 142.6 | 0 | 0 | 0 | 0 | 114.4 | E503 F504 A509 K510 H511 | E503-S507 PolarHBondContact O-N 3.14Å; F504-S507 PolarHBondContact O-N 3.45Å; S507-A509 VanDerWaalsContact C-N 3.33Å; S507-A509 PolarHBondContact O-N 3.12Å; S507-K510 WeakPolarHBondContact O-CB 3.36Å; S507-K510 PolarHBondContact O-N 3.19Å; S507-H511 PolarHBondContact O-CD2 2.93Å; S507-H511 VanDerWaalsContact O-CD2 3.31Å; S507-H511 PolarHBondContact O-N 3.16Å; S507-H511 PolarHBondContact OG-CD2 2.82Å |
| 508 | N | 42.9 | Very low | 45.9 | Very low | 53.5 Ų | 53.5 | 77.2 Ų | 77.2 | 29% | 0.286 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | -178.3 | -78.8 | -11.5 | 0 | 0 | 0 | 113.1 | K489 F490 F504 A505 T506 H511 L512 | K489-N508 PolarHBondContact O-ND2 3.17Å; K489-N508 VanDerWaalsContact O-ND2 3.14Å; F490-N508 WeakPolarHBondContact CE1-OD1 3.18Å; F504-N508 WeakPolarHBondContact CE1-ND2 3.45Å; F504-N508 PolarHBondContact O-N 3Å; A505-N508 PolarHBondContact O-N 3.09Å; T506-N508 PolarHBondContact O-N 3.01Å; N508-H511 PolarHBondContact O-N 3.11Å; N508-L512 WeakPolarHBondContact O-CD1 3.45Å; N508-L512 VanDerWaalsContact O-CG 3.25Å; N508-L512 WeakPolarHBondContact O-CG 3.27Å; N508-L512 PolarHBondContact O-N 3.38Å |
| 509 | A | 43.8 | Very low | 47.3 | Very low | 34.5 Ų | 34.5 | 71.9 Ų | 71.9 | 29% | 0.285 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K489 F490 A505 T506 S507 H511 L512 V513 | K489-A509 HydrophobicContact CB-CB 4.26Å; F490-A509 HydrophobicContact CE1-CB 4.08Å; F490-A509 HydrophobicContact CZ-CB 4.18Å; A505-A509 WeakPolarHBondContact O-CB 3.5Å; A505-A509 PolarHBondContact O-N 3.29Å; T506-A509 PolarHBondContact O-N 2.64Å; S507-A509 VanDerWaalsContact C-N 3.33Å; S507-A509 PolarHBondContact O-N 3.12Å; A509-H511 VanDerWaalsContact C-N 3.32Å; A509-H511 PolarHBondContact O-N 2.89Å; A509-L512 PolarHBondContact O-N 3.15Å; A509-V513 WeakPolarHBondContact O-CG2 3.48Å; A509-V513 PolarHBondContact O-N 2.5Å |
| 510 | K | 49.5 | Very low | 48.7 | Very low | 145 Ų | 145 | 68.6 Ų | 68.6 | 63% | 0.63 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.3 | -37.9 | 175.1 | -71 | 171.8 | -176.3 | 173 | 0 | 111.5 | T506 S507 S514 | T506-K510 WeakPolarHBondContact O-CB 3.27Å; T506-K510 WeakPolarHBondContact O-CG 3.37Å; T506-K510 PolarHBondContact O-N 3.27Å; S507-K510 WeakPolarHBondContact O-CB 3.36Å; S507-K510 PolarHBondContact O-N 3.19Å; K510-S514 VanDerWaalsContact O-CB 3.28Å; K510-S514 WeakPolarHBondContact O-CB 3.28Å; K510-S514 PolarHBondContact O-N 3.06Å |
| 511 | H | 51.7 | Low | 50.1 | Low | 56.5 Ų | 56.5 | 67.2 Ų | 67.2 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.3 | -32.8 | 177.2 | -72.9 | -60.5 | 0 | 0 | 0 | 113.6 | E427 R447 S507 N508 A509 V513 S514 N515 | E427-H511 IonicContact OE2-CE1 3.46Å; E427-H511 PolarHBondContact OE2-CE1 2.95Å; E427-H511 IonicContact OE2-ND1 3.45Å; E427-H511 PolarHBondContact OE2-ND1 3.22Å; R447-H511 PolarHBondContact NH1-CE1 3.13Å; S507-H511 PolarHBondContact O-CD2 2.93Å; S507-H511 VanDerWaalsContact O-CD2 3.31Å; S507-H511 PolarHBondContact O-N 3.16Å; S507-H511 PolarHBondContact OG-CD2 2.82Å; N508-H511 PolarHBondContact O-N 3.11Å; A509-H511 VanDerWaalsContact C-N 3.32Å; A509-H511 PolarHBondContact O-N 2.89Å; H511-V513 PolarHBondContact O-N 3Å; H511-V513 VanDerWaalsContact O-N 3.11Å; H511-S514 PolarHBondContact O-N 3.09Å; H511-N515 PolarHBondContact O-N 3.32Å; H511-N515 PolarHBondContact O-ND2 3.26Å |
| 512 | L | 47.6 | Very low | 51.5 | Low | 33.5 Ų | 33.5 | 60.1 Ų | 60.1 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -34 | 176.2 | -82 | 160.2 | 0 | 0 | 0 | 112.9 | R424 Y429 R447 F455 W494 P495 N508 A509 N515 R516 | R424-L512 PolarHBondContact NH1-O 3.13Å; Y429-L512 PolarHBondContact OH-O 3.45Å; R447-L512 VanDerWaalsContact CZ-CD2 3.45Å; F455-L512 HydrophobicContact CZ-CD1 4.42Å; W494-L512 HydrophobicContact CG-CD2 4.47Å; P495-L512 HydrophobicContact CG-CD1 4.49Å; N508-L512 WeakPolarHBondContact O-CD1 3.45Å; N508-L512 VanDerWaalsContact O-CG 3.25Å; N508-L512 WeakPolarHBondContact O-CG 3.27Å; N508-L512 PolarHBondContact O-N 3.38Å; A509-L512 PolarHBondContact O-N 3.15Å; L512-N515 PolarHBondContact O-N 2.85Å; L512-R516 PolarHBondContact O-N 3Å |
| 513 | V | 51.2 | Low | 52.6 | Low | 39.5 Ų | 39.5 | 59.6 Ų | 59.6 | 24% | 0.239 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -92.2 | -28.3 | 178.9 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | W474 F490 W494 A509 H511 N515 R516 M517 L600 | W474-V513 HydrophobicContact CD2-CG1 4.24Å; W474-V513 HydrophobicContact CG-CG1 4.32Å; W474-V513 HydrophobicContact CZ2-CG1 4.19Å; F490-V513 HydrophobicContact CD1-CG2 4.46Å; F490-V513 HydrophobicContact CE1-CG2 4.3Å; W494-V513 HydrophobicContact CH2-CG1 4.41Å; W494-V513 HydrophobicContact CZ3-CG1 4.33Å; A509-V513 WeakPolarHBondContact O-CG2 3.48Å; A509-V513 PolarHBondContact O-N 2.5Å; H511-V513 PolarHBondContact O-N 3Å; H511-V513 VanDerWaalsContact O-N 3.11Å; V513-N515 VanDerWaalsContact C-N 3.28Å; V513-N515 PolarHBondContact O-N 3.37Å; V513-R516 WeakPolarHBondContact O-CA 3.41Å; V513-R516 WeakPolarHBondContact O-CB 3.38Å; V513-R516 PolarHBondContact O-N 3.29Å; V513-M517 HydrophobicContact CG1-SD 4.38Å; V513-M517 WeakPolarHBondContact O-CG 3.08Å; V513-M517 PolarHBondContact O-N 3.03Å; V513-L600 HydrophobicContact CG1-CD1 3.96Å |
| 514 | S | 56.7 | Low | 53.9 | Low | 18.5 Ų | 18.5 | 53.3 Ų | 53.3 | 13% | 0.129 | 28% | 0.28 | C | S | . | . | trans | -64.4 | 40.5 | -177.3 | -165.6 | 0 | 0 | 0 | 0 | 113.2 | E427 K510 H511 R516 M517 P518 | E427-S514 WeakPolarHBondContact OE1-CB 3.31Å; E427-S514 PolarHBondContact OE1-OG 2.89Å; K510-S514 VanDerWaalsContact O-CB 3.28Å; K510-S514 WeakPolarHBondContact O-CB 3.28Å; K510-S514 PolarHBondContact O-N 3.06Å; H511-S514 PolarHBondContact O-N 3.09Å; S514-R516 VanDerWaalsContact C-N 3.3Å; S514-R516 PolarHBondContact O-N 2.81Å; S514-R516 PolarHBondContact OG-N 2.67Å; S514-M517 WeakPolarHBondContact O-CB 3.45Å; S514-M517 PolarHBondContact O-N 3.27Å; S514-M517 VanDerWaalsContact O-N 3.15Å; S514-P518 WeakPolarHBondContact O-CD 3.5Å | ||
| 515 | N | 57.3 | Low | 55 | Low | 30 Ų | 30 | 52.3 Ų | 52.3 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | trans | -73.8 | -16.7 | 172.2 | -73.8 | -58.2 | 0 | 0 | 0 | 113.5 | V413 R424 H511 L512 V513 M517 P518 I519 | V413-N515 HydrophobicContact CG1-CB 4.44Å; V413-N515 HydrophobicContact CG2-CB 4Å; V413-N515 VanDerWaalsContact CG2-ND2 3.34Å; V413-N515 WeakPolarHBondContact CG2-ND2 3.38Å; R424-N515 PolarHBondContact NH2-ND2 3.19Å; R424-N515 PolarHBondContact NH2-OD1 3.14Å; H511-N515 PolarHBondContact O-N 3.32Å; H511-N515 PolarHBondContact O-ND2 3.26Å; L512-N515 PolarHBondContact O-N 2.85Å; V513-N515 VanDerWaalsContact C-N 3.28Å; V513-N515 PolarHBondContact O-N 3.37Å; N515-M517 VanDerWaalsContact C-N 3.32Å; N515-M517 PolarHBondContact O-N 2.88Å; N515-P518 WeakPolarHBondContact O-CD 3.41Å; N515-I519 HydrophobicContact CB-CD1 3.87Å; N515-I519 WeakPolarHBondContact O-CB 3.12Å; N515-I519 WeakPolarHBondContact O-CD1 3.36Å; N515-I519 WeakPolarHBondContact O-CG1 3.31Å; N515-I519 PolarHBondContact O-N 3.11Å | ||
| 516 | R | 60.9 | Low | 56.3 | Low | 156.5 Ų | 156.5 | 54.3 Ų | 54.3 | 59% | 0.591 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -69.9 | -26.3 | -179.2 | -74.6 | -177.3 | 170.4 | 176.5 | -3 | 113.2 | L512 V513 S514 I519 M520 | L512-R516 PolarHBondContact O-N 3Å; V513-R516 WeakPolarHBondContact O-CA 3.41Å; V513-R516 WeakPolarHBondContact O-CB 3.38Å; V513-R516 PolarHBondContact O-N 3.29Å; S514-R516 VanDerWaalsContact C-N 3.3Å; S514-R516 PolarHBondContact O-N 2.81Å; S514-R516 PolarHBondContact OG-N 2.67Å; R516-I519 WeakPolarHBondContact O-CB 3.4Å; R516-I519 PolarHBondContact O-N 3.19Å; R516-M520 VanDerWaalsContact O-CB 3.3Å; R516-M520 WeakPolarHBondContact O-CB 3.45Å; R516-M520 WeakPolarHBondContact O-CG 3.42Å; R516-M520 PolarHBondContact O-N 2.95Å |
| 517 | M | 62.6 | Low | 57.6 | Low | 21.5 Ų | 21.5 | 53.1 Ų | 53.1 | 11% | 0.106 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.2 | -49.4 | -173.4 | -64 | -66.8 | -77.2 | 0 | 0 | 113.4 | V513 S514 N515 I519 M520 L521 L596 L600 M604 | V513-M517 HydrophobicContact CG1-SD 4.38Å; V513-M517 WeakPolarHBondContact O-CG 3.08Å; V513-M517 PolarHBondContact O-N 3.03Å; S514-M517 WeakPolarHBondContact O-CB 3.45Å; S514-M517 PolarHBondContact O-N 3.27Å; S514-M517 VanDerWaalsContact O-N 3.15Å; N515-M517 VanDerWaalsContact C-N 3.32Å; N515-M517 PolarHBondContact O-N 2.88Å; M517-I519 VanDerWaalsContact C-N 3.29Å; M517-I519 PolarHBondContact O-N 2.77Å; M517-M520 HydrophobicContact CE-CE 3.56Å; M517-M520 WeakPolarHBondContact O-CB 3.35Å; M517-M520 PolarHBondContact O-N 3Å; M517-M520 HydrophobicContact SD-CE 3.78Å; M517-L521 PolarHBondContact O-N 3.08Å; M517-L596 HydrophobicContact CE-CD1 3.6Å; M517-L596 HydrophobicContact CE-CD2 3.36Å; M517-L596 VanDerWaalsContact CE-CD2 3.5Å; M517-L596 HydrophobicContact CE-CG 4.06Å; M517-L596 HydrophobicContact SD-CD1 4.23Å; M517-L596 HydrophobicContact SD-CD2 3.56Å; M517-L596 VanDerWaalsContact SD-CD2 3.56Å; M517-L600 HydrophobicContact CE-CB 3.73Å; M517-L600 HydrophobicContact CE-CD1 4.18Å; M517-L600 HydrophobicContact CE-CD2 4.09Å; M517-L600 HydrophobicContact CE-CG 4.2Å; M517-M604 HydrophobicContact CB-CE 4.27Å; M517-M604 HydrophobicContact CB-SD 4.12Å; M517-M604 HydrophobicContact CE-CG 3.99Å; M517-M604 HydrophobicContact CE-SD 3.3Å; M517-M604 WeakPolarHBondContact CE-SD 3.27Å; M517-M604 HydrophobicContact CG-SD 4.45Å; M517-M604 HydrophobicContact SD-CE 4.27Å; M517-M604 HydrophobicContact SD-CG 4.47Å; M517-M604 HydrophobicContact SD-SD 3.52Å |
| 518 | P | 60.6 | Low | 58.7 | Low | 5.5 Ų | 5.5 | 54.1 Ų | 54.1 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.6 | -39.6 | 171.4 | -24.2 | 33.4 | 0 | 0 | 0 | 112.4 | A415 V420 A423 S514 N515 M520 L521 T522 | A415-P518 HydrophobicContact CB-CB 3.98Å; V420-P518 HydrophobicContact CG2-CB 3.83Å; V420-P518 HydrophobicContact CG2-CG 4.24Å; A423-P518 HydrophobicContact CB-CB 4.24Å; A423-P518 HydrophobicContact CB-CG 3.68Å; S514-P518 WeakPolarHBondContact O-CD 3.5Å; N515-P518 WeakPolarHBondContact O-CD 3.41Å; P518-M520 VanDerWaalsContact C-N 3.32Å; P518-M520 PolarHBondContact O-N 2.75Å; P518-L521 PolarHBondContact O-N 3.16Å; P518-T522 PolarHBondContact O-N 3.19Å; P518-T522 PolarHBondContact O-OG1 3.07Å |
| 519 | I | 63.7 | Low | 60.1 | Low | 56 Ų | 56 | 54.9 Ų | 54.9 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 178.3 | -62.4 | 169.8 | 0 | 0 | 0 | 109.9 | V413 A415 N515 R516 M517 L521 T522 M523 | V413-I519 HydrophobicContact CG1-CD1 3.95Å; V413-I519 HydrophobicContact CG1-CG1 3.79Å; A415-I519 HydrophobicContact CB-CG1 4.43Å; N515-I519 HydrophobicContact CB-CD1 3.87Å; N515-I519 WeakPolarHBondContact O-CB 3.12Å; N515-I519 WeakPolarHBondContact O-CD1 3.36Å; N515-I519 WeakPolarHBondContact O-CG1 3.31Å; N515-I519 PolarHBondContact O-N 3.11Å; R516-I519 WeakPolarHBondContact O-CB 3.4Å; R516-I519 PolarHBondContact O-N 3.19Å; M517-I519 VanDerWaalsContact C-N 3.29Å; M517-I519 PolarHBondContact O-N 2.77Å; I519-L521 VanDerWaalsContact C-N 3.33Å; I519-L521 PolarHBondContact O-N 2.99Å; I519-T522 WeakPolarHBondContact CA-OG1 3.29Å; I519-T522 PolarHBondContact O-N 2.99Å; I519-T522 VanDerWaalsContact O-N 3.13Å; I519-T522 PolarHBondContact O-OG1 3.05Å; I519-M523 HydrophobicContact CG2-CG 4.26Å; I519-M523 VanDerWaalsContact O-CG 3.28Å; I519-M523 WeakPolarHBondContact O-CG 3.32Å; I519-M523 PolarHBondContact O-N 3.2Å |
| 520 | M | 66.3 | Low | 61.6 | Low | 31.5 Ų | 31.5 | 54.7 Ų | 54.7 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 178.5 | -120.9 | 176.7 | 65.3 | 0 | 0 | 112.3 | R516 M517 P518 M523 L524 Y589 N592 L593 | R516-M520 VanDerWaalsContact O-CB 3.3Å; R516-M520 WeakPolarHBondContact O-CB 3.45Å; R516-M520 WeakPolarHBondContact O-CG 3.42Å; R516-M520 PolarHBondContact O-N 2.95Å; M517-M520 HydrophobicContact CE-CE 3.56Å; M517-M520 WeakPolarHBondContact O-CB 3.35Å; M517-M520 PolarHBondContact O-N 3Å; M517-M520 HydrophobicContact SD-CE 3.78Å; P518-M520 VanDerWaalsContact C-N 3.32Å; P518-M520 PolarHBondContact O-N 2.75Å; M520-M523 WeakPolarHBondContact O-CB 3.29Å; M520-M523 PolarHBondContact O-N 2.91Å; M520-L524 PolarHBondContact O-N 3.43Å; M520-Y589 HydrophobicContact CB-CE2 4.03Å; M520-Y589 HydrophobicContact CE-CD2 4.32Å; M520-Y589 HydrophobicContact CE-CE2 4Å; M520-Y589 HydrophobicContact CG-CD2 4.28Å; M520-Y589 HydrophobicContact CG-CE2 3.84Å; M520-Y589 WeakPolarHBondContact CG-OH 3.09Å; M520-Y589 PolarHBondContact O-OH 3.14Å; M520-Y589 VanDerWaalsContact O-OH 3.14Å; M520-Y589 HydrophobicContact SD-CE2 4.22Å; M520-N592 HydrophobicContact CE-CB 3.76Å; M520-N592 HydrophobicContact SD-CB 4.39Å; M520-L593 HydrophobicContact CE-CD2 3.69Å; M520-L593 VanDerWaalsContact CE-CD2 3.44Å; M520-L593 HydrophobicContact CE-CG 3.86Å |
| 521 | L | 64.2 | Low | 62.8 | Low | 40 Ų | 40 | 48.6 Ų | 48.6 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 174.7 | -72.2 | 179.2 | 0 | 0 | 0 | 112.7 | M517 P518 I519 M523 L524 S525 L593 M604 F605 F677 | M517-L521 PolarHBondContact O-N 3.08Å; P518-L521 PolarHBondContact O-N 3.16Å; I519-L521 VanDerWaalsContact C-N 3.33Å; I519-L521 PolarHBondContact O-N 2.99Å; L521-M523 VanDerWaalsContact C-N 3.3Å; L521-M523 PolarHBondContact O-N 3.01Å; L521-L524 HydrophobicContact CD2-CD1 4.1Å; L521-L524 VanDerWaalsContact O-CB 3.23Å; L521-L524 WeakPolarHBondContact O-CB 3.38Å; L521-L524 PolarHBondContact O-N 2.91Å; L521-S525 PolarHBondContact O-N 2.9Å; L521-L593 HydrophobicContact CD2-CD2 3.93Å; L521-M604 HydrophobicContact CD1-CB 4.12Å; L521-M604 HydrophobicContact CD1-CE 3.45Å; L521-M604 HydrophobicContact CD1-CG 4.48Å; L521-M604 HydrophobicContact CD1-SD 3.62Å; L521-M604 HydrophobicContact CD2-CE 3.67Å; L521-M604 HydrophobicContact CG-CE 3.66Å; L521-M604 VanDerWaalsContact CG-CE 3.4Å; L521-M604 HydrophobicContact CG-SD 3.99Å; L521-F605 HydrophobicContact CD2-CE1 4.08Å; L521-F605 HydrophobicContact CD2-CZ 3.96Å; L521-F677 HydrophobicContact CD2-CZ 4.41Å |
| 522 | T | 63.3 | Low | 64 | Low | 8 Ų | 8 | 47.7 Ų | 47.7 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.1 | -25 | 175.2 | 44.3 | 0 | 0 | 0 | 0 | 113.7 | A415 C416 P518 I519 L524 S525 R526 | A415-T522 HydrophobicContact CB-CG2 4.21Å; C416-T522 HydrophobicContact CB-CG2 3.95Å; P518-T522 PolarHBondContact O-N 3.19Å; P518-T522 PolarHBondContact O-OG1 3.07Å; I519-T522 WeakPolarHBondContact CA-OG1 3.29Å; I519-T522 PolarHBondContact O-N 2.99Å; I519-T522 VanDerWaalsContact O-N 3.13Å; I519-T522 PolarHBondContact O-OG1 3.05Å; T522-L524 VanDerWaalsContact C-N 3.3Å; T522-L524 PolarHBondContact O-N 2.73Å; T522-S525 WeakPolarHBondContact CA-OG 3.38Å; T522-S525 PolarHBondContact O-N 3.16Å; T522-S525 PolarHBondContact O-OG 3.19Å; T522-R526 WeakPolarHBondContact O-CB 3.33Å; T522-R526 WeakPolarHBondContact O-CG 3.37Å; T522-R526 PolarHBondContact O-N 3.23Å |
| 523 | M | 64.6 | Low | 65.3 | Low | 55.5 Ų | 55.5 | 47.6 Ų | 47.6 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.9 | -35.3 | 172.5 | -70.2 | -69.1 | -76.5 | 0 | 0 | 111.4 | I519 M520 L521 S525 R526 E527 Y530 | I519-M523 HydrophobicContact CG2-CG 4.26Å; I519-M523 VanDerWaalsContact O-CG 3.28Å; I519-M523 WeakPolarHBondContact O-CG 3.32Å; I519-M523 PolarHBondContact O-N 3.2Å; M520-M523 WeakPolarHBondContact O-CB 3.29Å; M520-M523 PolarHBondContact O-N 2.91Å; L521-M523 VanDerWaalsContact C-N 3.3Å; L521-M523 PolarHBondContact O-N 3.01Å; M523-S525 VanDerWaalsContact C-N 3.32Å; M523-S525 PolarHBondContact O-N 3.16Å; M523-R526 PolarHBondContact O-N 3.02Å; M523-E527 VanDerWaalsContact CE-OE1 3.27Å; M523-E527 WeakPolarHBondContact CE-OE1 3.24Å; M523-E527 PolarHBondContact O-N 3.31Å; M523-Y530 HydrophobicContact CB-CD2 4.34Å; M523-Y530 HydrophobicContact CB-CE2 4.07Å; M523-Y530 HydrophobicContact CE-CE2 4.1Å |
| 524 | L | 64.7 | Low | 66.4 | Low | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 174.2 | -85.9 | 167.1 | 0 | 0 | 0 | 112.7 | M520 L521 T522 R526 M531 Y589 W590 L593 F677 | M520-L524 PolarHBondContact O-N 3.43Å; L521-L524 HydrophobicContact CD2-CD1 4.1Å; L521-L524 VanDerWaalsContact O-CB 3.23Å; L521-L524 WeakPolarHBondContact O-CB 3.38Å; L521-L524 PolarHBondContact O-N 2.91Å; T522-L524 VanDerWaalsContact C-N 3.3Å; T522-L524 PolarHBondContact O-N 2.73Å; L524-R526 VanDerWaalsContact C-N 3.28Å; L524-R526 PolarHBondContact O-N 3.27Å; L524-M531 HydrophobicContact CB-CE 3.78Å; L524-M531 HydrophobicContact CD1-CE 4.3Å; L524-M531 HydrophobicContact CD2-CE 3.64Å; L524-M531 HydrophobicContact CD2-CG 4.15Å; L524-M531 HydrophobicContact CD2-SD 3.7Å; L524-M531 VanDerWaalsContact CD2-SD 3.53Å; L524-M531 HydrophobicContact CG-CE 4.09Å; L524-M531 WeakPolarHBondContact O-CG 3.33Å; L524-Y589 HydrophobicContact CD1-CE1 3.64Å; L524-Y589 VanDerWaalsContact CD1-OH 3.27Å; L524-Y589 WeakPolarHBondContact CD1-OH 3.44Å; L524-Y589 HydrophobicContact CD2-CE1 3.74Å; L524-Y589 HydrophobicContact CG-CE1 3.88Å; L524-Y589 WeakPolarHBondContact CG-OH 3.48Å; L524-W590 HydrophobicContact CD2-CH2 4.46Å; L524-W590 HydrophobicContact CD2-CZ2 4.1Å; L524-L593 HydrophobicContact CD1-CD1 3.85Å; L524-F677 HydrophobicContact CD1-CE1 3.62Å; L524-F677 HydrophobicContact CD1-CZ 3.79Å |
| 525 | S | 59.7 | Low | 67 | Low | 95 Ų | 95 | 52.4 Ų | 52.4 | 66% | 0.664 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -77.4 | -15.1 | 176.1 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | L521 T522 M523 | L521-S525 PolarHBondContact O-N 2.9Å; T522-S525 WeakPolarHBondContact CA-OG 3.38Å; T522-S525 PolarHBondContact O-N 3.16Å; T522-S525 PolarHBondContact O-OG 3.19Å; M523-S525 VanDerWaalsContact C-N 3.32Å; M523-S525 PolarHBondContact O-N 3.16Å |
| 526 | R | 61.9 | Low | 67.5 | Low | 108.5 Ų | 108.5 | 51.5 Ų | 51.5 | 41% | 0.409 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -100.2 | -38.8 | -178 | -77.9 | -178.3 | 170.9 | -170.9 | -0.4 | 113.3 | E414 E467 N469 T522 M523 L524 | E414-R526 IonicContact OE2-NH1 3.81Å; E414-R526 PolarHBondContact OE2-NH1 3.03Å; E467-R526 PolarHBondContact O-NH2 3.39Å; E467-R526 VanDerWaalsContact O-NH2 3.14Å; N469-R526 PolarHBondContact OD1-NH2 3.25Å; T522-R526 WeakPolarHBondContact O-CB 3.33Å; T522-R526 WeakPolarHBondContact O-CG 3.37Å; T522-R526 PolarHBondContact O-N 3.23Å; M523-R526 PolarHBondContact O-N 3.02Å; L524-R526 VanDerWaalsContact C-N 3.28Å; L524-R526 PolarHBondContact O-N 3.27Å |
| 527 | E | 70.1 | Confident | 67.9 | Low | 71 Ų | 71 | 44.9 Ų | 44.9 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | trans | -111.7 | 105.6 | -176.4 | -71.6 | -174.5 | -160.2 | 0 | 0 | 110.7 | M523 V529 Y530 | M523-E527 VanDerWaalsContact CE-OE1 3.27Å; M523-E527 WeakPolarHBondContact CE-OE1 3.24Å; M523-E527 PolarHBondContact O-N 3.31Å; E527-V529 PolarHBondContact O-N 3.16Å; E527-V529 VanDerWaalsContact O-N 3.09Å; E527-Y530 HydrophobicContact CB-CD2 3.81Å; E527-Y530 HydrophobicContact CB-CE2 3.9Å; E527-Y530 HydrophobicContact CG-CE2 4.37Å; E527-Y530 PolarHBondContact O-N 3Å; E527-Y530 VanDerWaalsContact O-N 3.17Å; E527-Y530 WeakPolarHBondContact OE2-CE2 3.36Å | ||
| 528 | S | 70.2 | Confident | 68.2 | Low | 65.5 Ų | 65.5 | 48.9 Ų | 48.9 | 46% | 0.458 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -56.4 | -24.1 | 178.6 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | Y530 M531 T532 | S528-Y530 PolarHBondContact O-N 3.02Å; S528-Y530 VanDerWaalsContact O-N 3.1Å; S528-M531 CarbonylContact O-C 3.59Å; S528-M531 PolarHBondContact O-N 3.38Å; S528-T532 PolarHBondContact O-N 3.28Å; S528-T532 VanDerWaalsContact O-N 3.12Å; S528-T532 PolarHBondContact O-OG1 2.63Å |
| 529 | V | 72.2 | Confident | 68.2 | Low | 71.5 Ų | 71.5 | 52.5 Ų | 52.5 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -54.9 | -31.3 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | E527 F586 | E527-V529 PolarHBondContact O-N 3.16Å; E527-V529 VanDerWaalsContact O-N 3.09Å; V529-F586 WeakPolarHBondContact O-CD2 3.45Å |
| 530 | Y | 74.7 | Confident | 68.2 | Low | 29 Ų | 29 | 52.1 Ų | 52.1 | 11% | 0.114 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -84.9 | -14.9 | 179.4 | -59.2 | -61.8 | 0 | 0 | 0 | 114.1 | M523 E527 S528 F586 Y589 W590 | M523-Y530 HydrophobicContact CB-CD2 4.34Å; M523-Y530 HydrophobicContact CB-CE2 4.07Å; M523-Y530 HydrophobicContact CE-CE2 4.1Å; E527-Y530 HydrophobicContact CB-CD2 3.81Å; E527-Y530 HydrophobicContact CB-CE2 3.9Å; E527-Y530 HydrophobicContact CG-CE2 4.37Å; E527-Y530 PolarHBondContact O-N 3Å; E527-Y530 VanDerWaalsContact O-N 3.17Å; E527-Y530 WeakPolarHBondContact OE2-CE2 3.36Å; S528-Y530 PolarHBondContact O-N 3.02Å; S528-Y530 VanDerWaalsContact O-N 3.1Å; Y530-F586 HydrophobicContact CD1-CD2 4.32Å; Y530-F586 WeakPolarHBondContact O-CE2 3.18Å; Y530-Y589 AromaticContact CD1-CD1 3.85Å; Y530-Y589 HydrophobicContact CD1-CD1 4.04Å; Y530-Y589 HydrophobicContact CD1-CD2 4.11Å; Y530-Y589 AromaticContact CD1-CG 3.55Å; Y530-Y589 HydrophobicContact CD1-CG 3.79Å; Y530-Y589 VanDerWaalsContact CE1-CB 3.47Å; Y530-Y589 HydrophobicContact CE1-CD1 4.5Å; Y530-Y589 HydrophobicContact CE1-CD2 4.24Å; Y530-Y589 AromaticContact CE1-CG 3.74Å; Y530-Y589 HydrophobicContact CE1-CG 3.94Å; Y530-Y589 HydrophobicContact CG-CD1 4.33Å; Y530-Y589 HydrophobicContact CG-CD2 4.48Å; Y530-Y589 HydrophobicContact CG-CG 4.3Å; Y530-W590 PolarHBondContact O-NE1 3.48Å |
| 531 | M | 73.6 | Confident | 68 | Low | 17 Ų | 17 | 52.6 Ų | 52.6 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 1.4 | -177.6 | -68.7 | -60.7 | -154.5 | 0 | 0 | 113.7 | L524 S528 F666 P673 A674 F677 | L524-M531 HydrophobicContact CB-CE 3.78Å; L524-M531 HydrophobicContact CD1-CE 4.3Å; L524-M531 HydrophobicContact CD2-CE 3.64Å; L524-M531 HydrophobicContact CD2-CG 4.15Å; L524-M531 HydrophobicContact CD2-SD 3.7Å; L524-M531 VanDerWaalsContact CD2-SD 3.53Å; L524-M531 HydrophobicContact CG-CE 4.09Å; L524-M531 WeakPolarHBondContact O-CG 3.33Å; S528-M531 CarbonylContact O-C 3.59Å; S528-M531 PolarHBondContact O-N 3.38Å; M531-F666 HydrophobicContact SD-CE1 4.06Å; M531-P673 HydrophobicContact CB-CB 3.78Å; M531-A674 WeakPolarHBondContact CB-O 3.29Å; M531-A674 WeakPolarHBondContact CG-O 3.48Å; M531-A674 PolarHBondContact O-N 3.38Å; M531-A674 VanDerWaalsContact O-N 3.1Å; M531-F677 HydrophobicContact CE-CD1 3.67Å; M531-F677 HydrophobicContact CE-CE1 3.88Å; M531-F677 HydrophobicContact SD-CD1 4.07Å |
| 532 | T | 76.9 | Confident | 67.9 | Low | 39 Ų | 39 | 54.1 Ų | 54.1 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -110.7 | 129.4 | 172.9 | -60.1 | 0 | 0 | 0 | 0 | 109 | S528 P534 | S528-T532 PolarHBondContact O-N 3.28Å; S528-T532 VanDerWaalsContact O-N 3.12Å; S528-T532 PolarHBondContact O-OG1 2.63Å; T532-P534 VanDerWaalsContact O-CD 3.27Å; T532-P534 WeakPolarHBondContact O-CD 3.18Å |
| 533 | I | 75.6 | Confident | 67.9 | Low | 30.5 Ų | 30.5 | 54.1 Ų | 54.1 | 16% | 0.156 | 29% | 0.292 | C | S | . | . | trans | -70.6 | 121.2 | 179.5 | -55.4 | 171.5 | 0 | 0 | 0 | 109 | E535 L537 K538 F655 F666 | I533-E535 PolarHBondContact O-N 3.16Å; I533-L537 HydrophobicContact CG2-CB 3.89Å; I533-L537 HydrophobicContact CG2-CD1 4.45Å; I533-K538 HydrophobicContact CB-CG 4.25Å; I533-K538 HydrophobicContact CG2-CG 3.83Å; I533-K538 VanDerWaalsContact O-CE 3.32Å; I533-K538 WeakPolarHBondContact O-CE 3.31Å; I533-F655 HydrophobicContact CD1-CD1 4.39Å; I533-F655 HydrophobicContact CG1-CD1 4.4Å; I533-F666 HydrophobicContact CD1-CD2 3.98Å; I533-F666 HydrophobicContact CD1-CE2 4.31Å; I533-F666 HydrophobicContact CG1-CD2 3.68Å; I533-F666 HydrophobicContact CG1-CE2 3.53Å | ||
| 534 | P | 75.4 | Confident | 67.6 | Low | 22.5 Ų | 22.5 | 56.3 Ų | 56.3 | 15% | 0.146 | 31% | 0.305 | C | S | . | . | trans | -55.3 | 135.4 | 172.9 | -25.9 | 33.7 | 0 | 0 | 0 | 112.5 | T532 P536 L537 K538 M583 F586 | T532-P534 VanDerWaalsContact O-CD 3.27Å; T532-P534 WeakPolarHBondContact O-CD 3.18Å; P534-P536 VanDerWaalsContact C-CD 3.48Å; P534-P536 VanDerWaalsContact C-N 3.31Å; P534-P536 VanDerWaalsContact O-N 3.12Å; P534-L537 HydrophobicContact CB-CD1 4.37Å; P534-L537 HydrophobicContact CG-CD1 4.2Å; P534-L537 WeakPolarHBondContact O-CB 3.3Å; P534-L537 PolarHBondContact O-N 2.97Å; P534-K538 PolarHBondContact O-N 3.27Å; P534-M583 HydrophobicContact CB-CG 3.98Å; P534-M583 HydrophobicContact CB-SD 4.34Å; P534-M583 HydrophobicContact CG-CG 4.37Å; P534-F586 HydrophobicContact CG-CD1 4.23Å; P534-F586 HydrophobicContact CG-CD2 4.21Å; P534-F586 HydrophobicContact CG-CE1 4.34Å; P534-F586 HydrophobicContact CG-CE2 4.44Å; P534-F586 HydrophobicContact CG-CG 4.11Å; P534-F586 HydrophobicContact CG-CZ 4.49Å | ||
| 535 | E | 69 | Low | 67.1 | Low | 136 Ų | 136 | 58.2 Ų | 58.2 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -45.3 | -42.9 | 178.3 | -88.8 | -117.4 | 136.8 | 0 | 0 | 114.9 | I533 L537 K538 L539 | I533-E535 PolarHBondContact O-N 3.16Å; E535-L537 VanDerWaalsContact C-N 3.27Å; E535-L537 PolarHBondContact O-N 3.42Å; E535-K538 WeakPolarHBondContact O-CA 3.12Å; E535-K538 WeakPolarHBondContact O-CB 3.46Å; E535-K538 PolarHBondContact O-N 3.12Å; E535-K538 VanDerWaalsContact O-N 3.09Å; E535-L539 WeakPolarHBondContact O-CG 3.32Å; E535-L539 PolarHBondContact O-N 3.31Å; E535-L539 VanDerWaalsContact O-N 3.16Å |
| 536 | P | 67.4 | Low | 67 | Low | 11 Ų | 11 | 54.3 Ų | 54.3 | 7% | 0.071 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -30.9 | 179.2 | -26.4 | 38.4 | 0 | 0 | 0 | 113.7 | P534 L539 G540 L541 V573 M583 | P534-P536 VanDerWaalsContact C-CD 3.48Å; P534-P536 VanDerWaalsContact C-N 3.31Å; P534-P536 VanDerWaalsContact O-N 3.12Å; P536-L539 CarbonylContact O-C 3.56Å; P536-L539 PolarHBondContact O-N 3.15Å; P536-G540 PolarHBondContact O-N 2.77Å; P536-L541 HydrophobicContact CB-CB 4.35Å; P536-L541 HydrophobicContact CB-CD1 3.86Å; P536-L541 WeakPolarHBondContact O-CB 3.35Å; P536-L541 PolarHBondContact O-N 3.16Å; P536-V573 HydrophobicContact CB-CG1 4.34Å; P536-V573 HydrophobicContact CG-CG1 4.05Å; P536-M583 HydrophobicContact CB-CE 4.27Å; P536-M583 HydrophobicContact CB-SD 3.82Å; P536-M583 HydrophobicContact CG-CE 4.09Å; P536-M583 HydrophobicContact CG-SD 3.58Å; P536-M583 VanDerWaalsContact CG-SD 3.58Å |
| 537 | L | 69.1 | Low | 66.5 | Low | 18.5 Ų | 18.5 | 56.9 Ų | 56.9 | 10% | 0.097 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.7 | -35.8 | 174.5 | -65.6 | 174.1 | 0 | 0 | 0 | 111.3 | I533 P534 E535 L539 G540 L541 F543 I546 F586 F655 | I533-L537 HydrophobicContact CG2-CB 3.89Å; I533-L537 HydrophobicContact CG2-CD1 4.45Å; P534-L537 HydrophobicContact CB-CD1 4.37Å; P534-L537 HydrophobicContact CG-CD1 4.2Å; P534-L537 WeakPolarHBondContact O-CB 3.3Å; P534-L537 PolarHBondContact O-N 2.97Å; E535-L537 VanDerWaalsContact C-N 3.27Å; E535-L537 PolarHBondContact O-N 3.42Å; L537-L539 PolarHBondContact O-N 3.2Å; L537-G540 PolarHBondContact O-N 3Å; L537-L541 VanDerWaalsContact CD2-O 3.25Å; L537-L541 WeakPolarHBondContact CD2-O 3.37Å; L537-F543 HydrophobicContact CD1-CD2 4.42Å; L537-F543 HydrophobicContact CD1-CE1 4.22Å; L537-F543 HydrophobicContact CD1-CE2 3.74Å; L537-F543 HydrophobicContact CD1-CZ 3.38Å; L537-F543 HydrophobicContact CD2-CB 4.4Å; L537-F543 HydrophobicContact CD2-CD2 4.17Å; L537-F543 HydrophobicContact CD2-CE1 4.24Å; L537-F543 HydrophobicContact CD2-CE2 3.82Å; L537-F543 HydrophobicContact CD2-CZ 3.88Å; L537-F543 HydrophobicContact CG-CE2 4.45Å; L537-F543 HydrophobicContact CG-CZ 4.19Å; L537-I546 HydrophobicContact CD1-CD1 4.22Å; L537-I546 HydrophobicContact CD2-CD1 4.2Å; L537-I546 HydrophobicContact CG-CD1 4.25Å; L537-F586 HydrophobicContact CD1-CD1 4.34Å; L537-F586 HydrophobicContact CD1-CE1 3.98Å; L537-F655 HydrophobicContact CD1-CB 4.47Å; L537-F655 HydrophobicContact CD1-CD2 4.42Å; L537-F655 HydrophobicContact CD1-CG 4.43Å |
| 538 | K | 69.2 | Low | 65.6 | Low | 104.5 Ų | 104.5 | 56.9 Ų | 56.9 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -31.8 | 171.4 | -62.6 | -178.1 | 176.6 | 177.1 | 0 | 111.7 | I533 P534 E535 G540 E672 | I533-K538 HydrophobicContact CB-CG 4.25Å; I533-K538 HydrophobicContact CG2-CG 3.83Å; I533-K538 VanDerWaalsContact O-CE 3.32Å; I533-K538 WeakPolarHBondContact O-CE 3.31Å; P534-K538 PolarHBondContact O-N 3.27Å; E535-K538 WeakPolarHBondContact O-CA 3.12Å; E535-K538 WeakPolarHBondContact O-CB 3.46Å; E535-K538 PolarHBondContact O-N 3.12Å; E535-K538 VanDerWaalsContact O-N 3.09Å; K538-G540 VanDerWaalsContact C-N 3.3Å; K538-G540 PolarHBondContact O-N 3.46Å; K538-E672 IonicContact NZ-OE1 2.69Å; K538-E672 PolarHBondContact NZ-OE1 3.26Å; K538-E672 IonicContact NZ-OE2 3.78Å |
| 539 | L | 61.3 | Low | 64.7 | Low | 81 Ų | 81 | 57.5 Ų | 57.5 | 42% | 0.424 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 5.8 | 175.6 | -64.5 | 169.9 | 0 | 0 | 0 | 114.1 | E535 P536 L537 K560 I569 V573 | E535-L539 WeakPolarHBondContact O-CG 3.32Å; E535-L539 PolarHBondContact O-N 3.31Å; E535-L539 VanDerWaalsContact O-N 3.16Å; P536-L539 CarbonylContact O-C 3.56Å; P536-L539 PolarHBondContact O-N 3.15Å; L537-L539 PolarHBondContact O-N 3.2Å; L539-K560 PolarHBondContact O-NZ 2.88Å; L539-I569 WeakPolarHBondContact O-CD1 3.35Å; L539-V573 HydrophobicContact CD1-CG1 4.23Å; L539-V573 HydrophobicContact CD1-CG2 3.98Å |
| 540 | G | 62 | Low | 63.6 | Low | 49.5 Ų | 49.5 | 60.1 Ų | 60.1 | 51% | 0.51 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 24 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P536 L537 K538 K560 | P536-G540 PolarHBondContact O-N 2.77Å; L537-G540 PolarHBondContact O-N 3Å; K538-G540 VanDerWaalsContact C-N 3.3Å; K538-G540 PolarHBondContact O-N 3.46Å; G540-K560 WeakPolarHBondContact O-CE 3.32Å |
| 541 | L | 63 | Low | 62.3 | Low | 40.5 Ų | 40.5 | 66.1 Ų | 66.1 | 21% | 0.212 | 37% | 0.372 | C | S | . | . | trans | -71.8 | 139.5 | 165.8 | -113 | 130.7 | 0 | 0 | 0 | 109.8 | P536 L537 I546 I558 K560 V573 | P536-L541 HydrophobicContact CB-CB 4.35Å; P536-L541 HydrophobicContact CB-CD1 3.86Å; P536-L541 WeakPolarHBondContact O-CB 3.35Å; P536-L541 PolarHBondContact O-N 3.16Å; L537-L541 VanDerWaalsContact CD2-O 3.25Å; L537-L541 WeakPolarHBondContact CD2-O 3.37Å; L541-I546 HydrophobicContact CD2-CG1 4.1Å; L541-I558 HydrophobicContact CD1-CG2 3.92Å; L541-I558 HydrophobicContact CD2-CG2 4.09Å; L541-K560 HydrophobicContact CD1-CG 4.15Å; L541-V573 HydrophobicContact CD1-CB 4.02Å; L541-V573 HydrophobicContact CD1-CG1 4.33Å; L541-V573 HydrophobicContact CD1-CG2 3.96Å | ||
| 542 | Q | 63.1 | Low | 61.1 | Low | 72.5 Ų | 72.5 | 67.1 Ų | 67.1 | 34% | 0.339 | 38% | 0.384 | S | S | . | . | trans | -85.7 | 140.3 | 175.1 | -66.9 | -175.8 | 4.6 | 0 | 0 | 110.5 | N544 G545 N562 | Q542-N544 VanDerWaalsContact C-N 3.26Å; Q542-N544 PolarHBondContact O-N 2.91Å; Q542-G545 WeakPolarHBondContact O-CA 3.45Å; Q542-G545 PolarHBondContact O-N 3.05Å; Q542-N562 PolarHBondContact NE2-O 3.38Å | ||
| 543 | F | 63.1 | Low | 59.8 | Low | 7 Ų | 7 | 71.9 Ų | 71.9 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -52.8 | -36.2 | -179.2 | -126.1 | -86.2 | 0 | 0 | 0 | 113.8 | L537 G545 I546 F586 R587 W590 F655 S656 L657 | L537-F543 HydrophobicContact CD1-CD2 4.42Å; L537-F543 HydrophobicContact CD1-CE1 4.22Å; L537-F543 HydrophobicContact CD1-CE2 3.74Å; L537-F543 HydrophobicContact CD1-CZ 3.38Å; L537-F543 HydrophobicContact CD2-CB 4.4Å; L537-F543 HydrophobicContact CD2-CD2 4.17Å; L537-F543 HydrophobicContact CD2-CE1 4.24Å; L537-F543 HydrophobicContact CD2-CE2 3.82Å; L537-F543 HydrophobicContact CD2-CZ 3.88Å; L537-F543 HydrophobicContact CG-CE2 4.45Å; L537-F543 HydrophobicContact CG-CZ 4.19Å; F543-G545 VanDerWaalsContact C-N 3.27Å; F543-G545 PolarHBondContact O-N 3.05Å; F543-I546 PolarHBondContact O-N 3.34Å; F543-F586 HydrophobicContact CE1-CD1 4.34Å; F543-F586 HydrophobicContact CE2-CD1 4.09Å; F543-F586 HydrophobicContact CE2-CE1 4.04Å; F543-F586 AromaticContact CZ-CD1 3.77Å; F543-F586 HydrophobicContact CZ-CD1 3.77Å; F543-F586 AromaticContact CZ-CE1 3.95Å; F543-F586 HydrophobicContact CZ-CE1 3.95Å; F543-R587 HydrophobicContact CD1-CB 3.88Å; F543-R587 HydrophobicContact CD1-CG 3.92Å; F543-R587 HydrophobicContact CE1-CB 3.75Å; F543-R587 HydrophobicContact CE1-CG 4.08Å; F543-R587 HydrophobicContact CE2-CB 4.3Å; F543-R587 HydrophobicContact CE2-CG 4.43Å; F543-R587 HydrophobicContact CG-CG 4.37Å; F543-R587 HydrophobicContact CZ-CB 4.07Å; F543-R587 HydrophobicContact CZ-CG 3.83Å; F543-W590 HydrophobicContact CE2-CB 4.35Å; F543-W590 HydrophobicContact CZ-CB 3.96Å; F543-F655 HydrophobicContact CE2-CD2 4.11Å; F543-F655 HydrophobicContact CE2-CE2 4.43Å; F543-S656 WeakPolarHBondContact CB-O 3.45Å; F543-L657 HydrophobicContact CD1-CD2 3.95Å; F543-L657 HydrophobicContact CD2-CD2 3.99Å; F543-L657 HydrophobicContact CE1-CD2 3.6Å; F543-L657 HydrophobicContact CE2-CD2 3.62Å; F543-L657 VanDerWaalsContact CE2-CD2 3.46Å; F543-L657 HydrophobicContact CG-CD2 4.05Å; F543-L657 HydrophobicContact CZ-CD2 3.88Å |
| 544 | N | 57.1 | Low | 58.4 | Low | 102.5 Ų | 102.5 | 74.8 Ų | 74.8 | 55% | 0.548 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -71.7 | -11.2 | 179.6 | -70.2 | -5.3 | 0 | 0 | 0 | 114.4 | Q542 I546 | Q542-N544 VanDerWaalsContact C-N 3.26Å; Q542-N544 PolarHBondContact O-N 2.91Å; N544-I546 PolarHBondContact O-N 3.41Å |
| 545 | G | 54.6 | Low | 57 | Low | 50 Ų | 50 | 77.7 Ų | 77.7 | 52% | 0.515 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -85.3 | -4.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q542 F543 Q547 | Q542-G545 WeakPolarHBondContact O-CA 3.45Å; Q542-G545 PolarHBondContact O-N 3.05Å; F543-G545 VanDerWaalsContact C-N 3.27Å; F543-G545 PolarHBondContact O-N 3.05Å; G545-Q547 PolarHBondContact O-N 2.76Å |
| 546 | I | 57.3 | Low | 55.8 | Low | 13.5 Ų | 13.5 | 78 Ų | 78 | 7% | 0.069 | 45% | 0.452 | C | S | . | . | trans | -94.3 | 92.7 | 179.8 | -54.2 | 171.2 | 0 | 0 | 0 | 108.1 | L537 L541 F543 N544 M583 R587 | L537-I546 HydrophobicContact CD1-CD1 4.22Å; L537-I546 HydrophobicContact CD2-CD1 4.2Å; L537-I546 HydrophobicContact CG-CD1 4.25Å; L541-I546 HydrophobicContact CD2-CG1 4.1Å; F543-I546 PolarHBondContact O-N 3.34Å; N544-I546 PolarHBondContact O-N 3.41Å; I546-M583 HydrophobicContact CD1-CB 4.45Å; I546-M583 HydrophobicContact CD1-CE 3.8Å; I546-M583 HydrophobicContact CD1-SD 3.95Å; I546-M583 HydrophobicContact CG2-CB 3.64Å; I546-R587 HydrophobicContact CG2-CB 4.45Å; I546-R587 WeakPolarHBondContact O-CD 3.46Å; I546-R587 VanDerWaalsContact O-CZ 3.22Å; I546-R587 PolarHBondContact O-NE 3.42Å; I546-R587 PolarHBondContact O-NH1 2.87Å | ||
| 547 | Q | 52.2 | Low | 54.9 | Low | 162.5 Ų | 162.5 | 80.1 Ų | 80.1 | 76% | 0.759 | 47% | 0.466 | S | S | * | . | trans | -120.5 | 116.8 | 171 | -120.9 | 174.2 | 12.7 | 0 | 0 | 109.5 | G545 P549 | G545-Q547 PolarHBondContact O-N 2.76Å; Q547-P549 WeakPolarHBondContact O-CD 3.29Å | ||
| 548 | L | 51.3 | Low | 54 | Low | 71 Ų | 71 | 81.8 Ų | 81.8 | 37% | 0.372 | 47% | 0.474 | S | S | . | . | trans | -69.5 | 125.9 | 168.2 | -94.4 | 104.5 | 0 | 0 | 0 | 109.6 | A552 I580 E584 | L548-A552 HydrophobicContact CD2-CB 4.29Å; L548-I580 HydrophobicContact CD1-CB 4.44Å; L548-I580 HydrophobicContact CD1-CG2 3.56Å; L548-I580 HydrophobicContact CD2-CG2 4.1Å; L548-I580 HydrophobicContact CG-CG2 3.94Å; L548-E584 HydrophobicContact CD1-CB 3.94Å; L548-E584 HydrophobicContact CD1-CG 4.24Å; L548-E584 PolarHBondContact N-OE2 3.26Å | ||
| 549 | P | 51.6 | Low | 52.8 | Low | 78 Ų | 78 | 83.8 Ų | 83.8 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | trans | -65 | 139.3 | 162.4 | 6.2 | 1.6 | 0 | 0 | 0 | 108.6 | Q547 N551 A552 | Q547-P549 WeakPolarHBondContact O-CD 3.29Å; P549-N551 PolarHBondContact O-N 3.16Å; P549-A552 HydrophobicContact CG-CB 4.21Å; P549-A552 PolarHBondContact O-N 2.88Å | ||
| 550 | P | 48.9 | Very low | 51.9 | Low | 127 Ų | 127 | 86.5 Ų | 86.5 | 83% | 0.825 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -6.2 | -168.1 | 20.4 | -30.7 | 0 | 0 | 0 | 115.8 | ||
| 551 | N | 46.1 | Very low | 50.4 | Low | 154 Ų | 154 | 92.1 Ų | 92.1 | 82% | 0.824 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.6 | 38.6 | -175.5 | -75.5 | -34.1 | 0 | 0 | 0 | 114.6 | P549 V553 | P549-N551 PolarHBondContact O-N 3.16Å; N551-V553 PolarHBondContact O-N 2.78Å; N551-V553 VanDerWaalsContact O-N 3.13Å |
| 552 | A | 48.5 | Very low | 49.1 | Very low | 39 Ų | 39 | 96.7 Ų | 96.7 | 32% | 0.322 | 53% | 0.533 | S | S | . | . | trans | -92.3 | 109.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L548 P549 T554 | L548-A552 HydrophobicContact CD2-CB 4.29Å; P549-A552 HydrophobicContact CG-CB 4.21Å; P549-A552 PolarHBondContact O-N 2.88Å; A552-T554 VanDerWaalsContact C-N 3.26Å | ||
| 553 | V | 50.7 | Low | 47.8 | Very low | 139.5 Ų | 139.5 | 97 Ų | 97 | 85% | 0.845 | 54% | 0.543 | S | S | * | . | trans | -91.1 | -10.1 | 172.1 | 180 | 0 | 0 | 0 | 0 | 111.7 | N551 | N551-V553 PolarHBondContact O-N 2.78Å; N551-V553 VanDerWaalsContact O-N 3.13Å | ||
| 554 | T | 44.9 | Very low | 46.6 | Very low | 91.5 Ų | 91.5 | 105.3 Ų | 105.3 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -122.3 | 141.9 | -179.1 | 42.1 | 0 | 0 | 0 | 0 | 111.4 | A552 E556 | A552-T554 VanDerWaalsContact C-N 3.26Å; T554-E556 PolarHBondContact O-N 2.91Å |
| 555 | P | 46 | Very low | 45.6 | Very low | 83 Ų | 83 | 107 Ų | 107 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | trans | -75.1 | 100.7 | 177.9 | 30.4 | -31.5 | 0 | 0 | 0 | 109.9 | C575 | P555-C575 WeakPolarHBondContact CB-O 3.49Š| ||
| 556 | E | 45.3 | Very low | 44.9 | Very low | 141 Ų | 141 | 108.4 Ų | 108.4 | 66% | 0.659 | 61% | 0.605 | S | S | * | * | trans | -85.9 | 146.4 | 170.3 | -73.7 | -169.2 | 166.7 | 0 | 0 | 111.5 | T554 I558 | T554-E556 PolarHBondContact O-N 2.91Å; E556-I558 PolarHBondContact O-N 3.2Å | ||
| 557 | P | 47.7 | Very low | 43.9 | Very low | 57 Ų | 57 | 117.5 Ų | 117.5 | 37% | 0.37 | 64% | 0.639 | S | S | . | * | trans | -67.9 | 125.4 | 178.2 | 27.3 | -32.6 | 0 | 0 | 0 | 110.9 | H559 P572 | P557-H559 PolarHBondContact O-CD2 3.14Å; P557-H559 VanDerWaalsContact O-CD2 3.24Å; P557-H559 PolarHBondContact O-N 2.98Å; P557-P572 HydrophobicContact CB-CB 4.23Å | ||
| 558 | I | 50.4 | Low | 43.1 | Very low | 54 Ų | 54 | 114.5 Ų | 114.5 | 28% | 0.277 | 64% | 0.636 | S | S | . | * | B | Isolated β-bridge | trans | -69.4 | 105.3 | 176.1 | -57.8 | 173 | 0 | 0 | 0 | 108.6 | L541 E556 K560 M583 | L541-I558 HydrophobicContact CD1-CG2 3.92Å; L541-I558 HydrophobicContact CD2-CG2 4.09Å; E556-I558 PolarHBondContact O-N 3.2Å; I558-K560 PolarHBondContact O-N 2.61Å; I558-M583 HydrophobicContact CD1-CE 3.99Å |
| 559 | H | 44 | Very low | 42.7 | Very low | 146.5 Ų | 146.5 | 115.7 Ų | 115.7 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | trans | -85.7 | 116.8 | 177.4 | -77.9 | -78.9 | 0 | 0 | 0 | 111.5 | P557 M561 | P557-H559 PolarHBondContact O-CD2 3.14Å; P557-H559 VanDerWaalsContact O-CD2 3.24Å; P557-H559 PolarHBondContact O-N 2.98Å; H559-M561 PolarHBondContact O-N 2.78Å | ||
| 560 | K | 41.2 | Very low | 42.1 | Very low | 137.5 Ų | 137.5 | 121 Ų | 121 | 60% | 0.598 | 66% | 0.657 | S | S | * | * | trans | -0.8 | 126.4 | 165.6 | -76 | -175.9 | 174.8 | 179.8 | 0 | 114.7 | L539 G540 L541 I558 | L539-K560 PolarHBondContact O-NZ 2.88Å; G540-K560 WeakPolarHBondContact O-CE 3.32Å; L541-K560 HydrophobicContact CD1-CG 4.15Å; I558-K560 PolarHBondContact O-N 2.61Å | ||
| 561 | M | 31.7 | Very low | 41.9 | Very low | 166.5 Ų | 166.5 | 119.7 Ų | 119.7 | 82% | 0.82 | 65% | 0.646 | S | S | * | * | trans | -130.6 | 119.4 | 137.4 | -131.7 | 134.6 | 174 | 0 | 0 | 111.2 | H559 | H559-M561 PolarHBondContact O-N 2.78Š| ||
| 562 | N | 34.9 | Very low | 42 | Very low | 137.5 Ų | 137.5 | 115.9 Ų | 115.9 | 74% | 0.735 | 63% | 0.63 | S | S | * | * | trans | 62.4 | 96.4 | 162 | -57.2 | -9.5 | 0 | 0 | 0 | 119.1 | Q542 | Q542-N562 PolarHBondContact NE2-O 3.38Š| ||
| 563 | S | 36 | Very low | 42.2 | Very low | 79.5 Ų | 79.5 | 115.6 Ų | 115.6 | 56% | 0.556 | 62% | 0.624 | S | S | * | * | trans | -118.6 | 122.4 | 158.8 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 564 | R | 38.8 | Very low | 42.2 | Very low | 181 Ų | 181 | 114.1 Ų | 114.1 | 68% | 0.683 | 62% | 0.615 | S | S | * | * | trans | -7.8 | 138.9 | 156.9 | -78.7 | -179.9 | 170.5 | 166.9 | -4.3 | 114.4 | G566 D647 | R564-G566 PolarHBondContact O-N 3.21Å; R564-G566 VanDerWaalsContact O-N 3.14Å; R564-D647 IonicContact NH2-OD1 2.81Å | ||
| 565 | P | 35.5 | Very low | 42.8 | Very low | 136.5 Ų | 136.5 | 110.4 Ų | 110.4 | 89% | 0.886 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 122.7 | 170 | 29.4 | -31.9 | 0 | 0 | 0 | 109.1 | ||
| 566 | G | 39.1 | Very low | 43.6 | Very low | 79.5 Ų | 79.5 | 111.6 Ų | 111.6 | 82% | 0.82 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.1 | -20.8 | 175 | 0 | 0 | 0 | 0 | 0 | 117.3 | R564 | R564-G566 PolarHBondContact O-N 3.21Å; R564-G566 VanDerWaalsContact O-N 3.14Å |
| 567 | R | 38.1 | Very low | 44.6 | Very low | 205 Ų | 205 | 107.5 Ų | 107.5 | 77% | 0.774 | 58% | 0.577 | S | S | * | * | trans | -137.6 | 90.5 | 170.1 | -86.5 | -172.9 | 174.6 | 174.1 | -1.1 | 111.6 | I569 | R567-I569 PolarHBondContact O-N 2.82Å; R567-I569 VanDerWaalsContact O-N 3.16Å | ||
| 568 | S | 35.4 | Very low | 45.4 | Very low | 99.5 Ų | 99.5 | 111.5 Ų | 111.5 | 70% | 0.696 | 59% | 0.591 | S | S | * | * | trans | -76 | 98.4 | 170.5 | -176.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 569 | I | 41.5 | Very low | 46.2 | Very low | 97 Ų | 97 | 110.6 Ų | 110.6 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | trans | -90.7 | 110.9 | 163.2 | -63.9 | 174.7 | 0 | 0 | 0 | 106.8 | L539 R567 T571 | L539-I569 WeakPolarHBondContact O-CD1 3.35Å; R567-I569 PolarHBondContact O-N 2.82Å; R567-I569 VanDerWaalsContact O-N 3.16Å; I569-T571 VanDerWaalsContact C-N 3.34Å; I569-T571 PolarHBondContact O-N 2.81Å | ||
| 570 | K | 39.8 | Very low | 47.3 | Very low | 189 Ų | 189 | 104.6 Ų | 104.6 | 82% | 0.822 | 56% | 0.564 | S | S | * | * | trans | -85.3 | 5.1 | -172.6 | -71.9 | -173.3 | 179 | -179.5 | 0 | 115.1 | ||||
| 571 | T | 43.9 | Very low | 48.6 | Very low | 100 Ų | 100 | 105 Ų | 105 | 61% | 0.613 | 56% | 0.562 | S | S | * | * | trans | -112.2 | 123.4 | -174.6 | 45.5 | 0 | 0 | 0 | 0 | 112.2 | I569 V573 | I569-T571 VanDerWaalsContact C-N 3.34Å; I569-T571 PolarHBondContact O-N 2.81Å; T571-V573 PolarHBondContact O-N 3.32Å | ||
| 572 | P | 47.6 | Very low | 50.5 | Low | 74 Ų | 74 | 99.2 Ų | 99.2 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | trans | -65.4 | 128.4 | 167.8 | 27.4 | -31.6 | 0 | 0 | 0 | 109.2 | P557 V574 | P557-P572 HydrophobicContact CB-CB 4.23Å; P572-V574 PolarHBondContact O-N 2.92Å | ||
| 573 | V | 52.8 | Low | 52.3 | Low | 33.5 Ų | 33.5 | 92.8 Ų | 92.8 | 20% | 0.203 | 50% | 0.503 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 101.8 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | P536 L539 L541 T571 C575 | P536-V573 HydrophobicContact CB-CG1 4.34Å; P536-V573 HydrophobicContact CG-CG1 4.05Å; L539-V573 HydrophobicContact CD1-CG1 4.23Å; L539-V573 HydrophobicContact CD1-CG2 3.98Å; L541-V573 HydrophobicContact CD1-CB 4.02Å; L541-V573 HydrophobicContact CD1-CG1 4.33Å; L541-V573 HydrophobicContact CD1-CG2 3.96Å; T571-V573 PolarHBondContact O-N 3.32Å; V573-C575 PolarHBondContact O-N 3.28Å |
| 574 | V | 51.2 | Low | 54.1 | Low | 107 Ų | 107 | 91.2 Ų | 91.2 | 65% | 0.648 | 49% | 0.487 | S | S | * | . | trans | -74.4 | 109.4 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | P572 | P572-V574 PolarHBondContact O-N 2.92Š| ||
| 575 | C | 56.9 | Low | 55.8 | Low | 13 Ų | 13 | 88.6 Ų | 88.6 | 9% | 0.088 | 48% | 0.481 | C | S | . | . | trans | -98.9 | 134 | 177.7 | -61 | 0 | 0 | 0 | 0 | 109.8 | P555 V573 A579 I580 M583 | P555-C575 WeakPolarHBondContact CB-O 3.49Å; V573-C575 PolarHBondContact O-N 3.28Å; C575-A579 HydrophobicContact CB-CB 4.42Å; C575-I580 HydrophobicContact CB-CD1 4.11Å; C575-I580 HydrophobicContact CB-CG1 3.65Å; C575-M583 HydrophobicContact CB-CE 4.16Å | ||
| 576 | N | 64.2 | Low | 58 | Low | 109 Ų | 109 | 82.2 Ų | 82.2 | 58% | 0.583 | 44% | 0.439 | S | S | * | . | trans | -69.5 | 154 | 171.7 | 140.3 | -4.1 | 0 | 0 | 0 | 110.4 | E578 A579 I580 | N576-E578 PolarHBondContact O-N 2.77Å; N576-E578 VanDerWaalsContact O-N 3.15Å; N576-A579 HydrophobicContact CB-CB 4.47Å; N576-A579 WeakPolarHBondContact O-CA 3.18Å; N576-A579 VanDerWaalsContact O-CB 3.3Å; N576-A579 WeakPolarHBondContact O-CB 3.3Å; N576-A579 PolarHBondContact O-N 3.25Å; N576-A579 WeakPolarHBondContact OD1-CB 3.41Å; N576-A579 PolarHBondContact OD1-N 3.29Å; N576-I580 WeakPolarHBondContact O-CG1 3.35Å; N576-I580 PolarHBondContact O-N 2.93Å | ||
| 577 | L | 65.7 | Low | 59.8 | Low | 54.5 Ų | 54.5 | 81.3 Ų | 81.3 | 29% | 0.285 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.9 | -32.4 | -175.7 | -161.5 | 76.9 | 0 | 0 | 0 | 112.4 | I580 R581 | L577-I580 PolarHBondContact O-N 2.91Å; L577-R581 WeakPolarHBondContact O-CG 3.13Å; L577-R581 PolarHBondContact O-N 3.32Å |
| 578 | E | 65.7 | Low | 61.7 | Low | 142.5 Ų | 142.5 | 75.7 Ų | 75.7 | 67% | 0.666 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 173 | -148.3 | 85 | -136.3 | 0 | 0 | 111.9 | N576 R581 S582 | N576-E578 PolarHBondContact O-N 2.77Å; N576-E578 VanDerWaalsContact O-N 3.15Å; E578-R581 PolarHBondContact O-N 3.35Å; E578-S582 WeakPolarHBondContact O-CB 3.18Å; E578-S582 PolarHBondContact O-N 3.44Å; E578-S582 PolarHBondContact O-OG 3.28Å |
| 579 | A | 66.2 | Low | 63.7 | Low | 34 Ų | 34 | 71.8 Ų | 71.8 | 28% | 0.281 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | C575 N576 R581 S582 M583 | C575-A579 HydrophobicContact CB-CB 4.42Å; N576-A579 HydrophobicContact CB-CB 4.47Å; N576-A579 WeakPolarHBondContact O-CA 3.18Å; N576-A579 VanDerWaalsContact O-CB 3.3Å; N576-A579 WeakPolarHBondContact O-CB 3.3Å; N576-A579 PolarHBondContact O-N 3.25Å; N576-A579 WeakPolarHBondContact OD1-CB 3.41Å; N576-A579 PolarHBondContact OD1-N 3.29Å; A579-R581 VanDerWaalsContact C-N 3.34Å; A579-R581 PolarHBondContact O-N 3.05Å; A579-S582 VanDerWaalsContact CA-OG 3.27Å; A579-S582 WeakPolarHBondContact CA-OG 3.41Å; A579-S582 PolarHBondContact O-N 3.22Å; A579-S582 VanDerWaalsContact O-N 3.13Å; A579-S582 PolarHBondContact O-OG 3.29Å; A579-M583 WeakPolarHBondContact O-CB 3.44Å; A579-M583 WeakPolarHBondContact O-CG 3.45Å; A579-M583 PolarHBondContact O-N 3.13Å |
| 580 | I | 66.8 | Low | 65.6 | Low | 21.5 Ų | 21.5 | 67.2 Ų | 67.2 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 176.3 | -57 | 173.5 | 0 | 0 | 0 | 110.7 | L548 C575 N576 L577 S582 M583 E584 | L548-I580 HydrophobicContact CD1-CB 4.44Å; L548-I580 HydrophobicContact CD1-CG2 3.56Å; L548-I580 HydrophobicContact CD2-CG2 4.1Å; L548-I580 HydrophobicContact CG-CG2 3.94Å; C575-I580 HydrophobicContact CB-CD1 4.11Å; C575-I580 HydrophobicContact CB-CG1 3.65Å; N576-I580 WeakPolarHBondContact O-CG1 3.35Å; N576-I580 PolarHBondContact O-N 2.93Å; L577-I580 PolarHBondContact O-N 2.91Å; I580-S582 PolarHBondContact O-N 2.93Å; I580-M583 HydrophobicContact CB-CE 4.35Å; I580-M583 HydrophobicContact CG1-CE 4.19Å; I580-M583 PolarHBondContact O-N 2.93Å; I580-E584 PolarHBondContact O-N 3.08Å |
| 581 | R | 69.4 | Low | 67.4 | Low | 144.5 Ų | 144.5 | 61.2 Ų | 61.2 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 175 | -75.2 | 176.2 | 177.3 | 164.4 | 0.4 | 112.8 | L577 E578 A579 E584 K585 | L577-R581 WeakPolarHBondContact O-CG 3.13Å; L577-R581 PolarHBondContact O-N 3.32Å; E578-R581 PolarHBondContact O-N 3.35Å; A579-R581 VanDerWaalsContact C-N 3.34Å; A579-R581 PolarHBondContact O-N 3.05Å; R581-E584 PolarHBondContact O-N 3.31Å; R581-K585 WeakPolarHBondContact O-CG 3.42Å; R581-K585 PolarHBondContact O-N 3.07Å |
| 582 | S | 70.9 | Confident | 68.9 | Low | 45.5 Ų | 45.5 | 60.1 Ų | 60.1 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 175 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | E578 A579 I580 K585 F586 | E578-S582 WeakPolarHBondContact O-CB 3.18Å; E578-S582 PolarHBondContact O-N 3.44Å; E578-S582 PolarHBondContact O-OG 3.28Å; A579-S582 VanDerWaalsContact CA-OG 3.27Å; A579-S582 WeakPolarHBondContact CA-OG 3.41Å; A579-S582 PolarHBondContact O-N 3.22Å; A579-S582 VanDerWaalsContact O-N 3.13Å; A579-S582 PolarHBondContact O-OG 3.29Å; I580-S582 PolarHBondContact O-N 2.93Å; S582-K585 WeakPolarHBondContact O-CB 3.15Å; S582-K585 PolarHBondContact O-N 3.24Å; S582-F586 WeakPolarHBondContact O-CB 3.45Å; S582-F586 PolarHBondContact O-N 3.1Å |
| 583 | M | 72.1 | Confident | 70.3 | Confident | 3.5 Ų | 3.5 | 56.5 Ų | 56.5 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 172.8 | -76.8 | -166.8 | -65.4 | 0 | 0 | 112.5 | P534 P536 I546 I558 C575 A579 I580 F586 R587 | P534-M583 HydrophobicContact CB-CG 3.98Å; P534-M583 HydrophobicContact CB-SD 4.34Å; P534-M583 HydrophobicContact CG-CG 4.37Å; P536-M583 HydrophobicContact CB-CE 4.27Å; P536-M583 HydrophobicContact CB-SD 3.82Å; P536-M583 HydrophobicContact CG-CE 4.09Å; P536-M583 HydrophobicContact CG-SD 3.58Å; P536-M583 VanDerWaalsContact CG-SD 3.58Å; I546-M583 HydrophobicContact CD1-CB 4.45Å; I546-M583 HydrophobicContact CD1-CE 3.8Å; I546-M583 HydrophobicContact CD1-SD 3.95Å; I546-M583 HydrophobicContact CG2-CB 3.64Å; I558-M583 HydrophobicContact CD1-CE 3.99Å; C575-M583 HydrophobicContact CB-CE 4.16Å; A579-M583 WeakPolarHBondContact O-CB 3.44Å; A579-M583 WeakPolarHBondContact O-CG 3.45Å; A579-M583 PolarHBondContact O-N 3.13Å; I580-M583 HydrophobicContact CB-CE 4.35Å; I580-M583 HydrophobicContact CG1-CE 4.19Å; I580-M583 PolarHBondContact O-N 2.93Å; M583-F586 WeakPolarHBondContact O-CB 3.36Å; M583-F586 PolarHBondContact O-N 2.95Å; M583-R587 VanDerWaalsContact O-CB 3.31Å; M583-R587 WeakPolarHBondContact O-CB 3.26Å; M583-R587 PolarHBondContact O-N 3.38Å |
| 584 | E | 74 | Confident | 71.3 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 177 | -165.1 | 67.7 | -139.8 | 0 | 0 | 110.9 | L548 I580 R581 F586 R587 I588 | L548-E584 HydrophobicContact CD1-CB 3.94Å; L548-E584 HydrophobicContact CD1-CG 4.24Å; L548-E584 PolarHBondContact N-OE2 3.26Å; I580-E584 PolarHBondContact O-N 3.08Å; R581-E584 PolarHBondContact O-N 3.31Å; E584-F586 PolarHBondContact O-N 3.15Å; E584-R587 PolarHBondContact O-N 3.08Å; E584-R587 IonicContact OE1-CZ 3.42Å; E584-R587 IonicContact OE1-NH1 3.03Å; E584-R587 PolarHBondContact OE1-NH1 3.06Å; E584-R587 IonicContact OE2-NH1 3.38Å; E584-R587 PolarHBondContact OE2-NH1 2.58Å; E584-I588 HydrophobicContact CG-CD1 4Å; E584-I588 WeakPolarHBondContact O-CB 3.3Å; E584-I588 VanDerWaalsContact O-CG1 3.25Å; E584-I588 WeakPolarHBondContact O-CG1 3.37Å; E584-I588 PolarHBondContact O-N 3.12Å |
| 585 | K | 75.8 | Confident | 72.5 | Confident | 126.5 Ų | 126.5 | 55.6 Ų | 55.6 | 55% | 0.55 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59 | -46.2 | 171 | -76.1 | -179.5 | 177.4 | -173.5 | 0 | 112 | R581 S582 Y589 | R581-K585 WeakPolarHBondContact O-CG 3.42Å; R581-K585 PolarHBondContact O-N 3.07Å; S582-K585 WeakPolarHBondContact O-CB 3.15Å; S582-K585 PolarHBondContact O-N 3.24Å; K585-Y589 WeakPolarHBondContact O-CB 3.39Å; K585-Y589 PolarHBondContact O-N 3Å; K585-Y589 VanDerWaalsContact O-N 3.13Å |
| 586 | F | 80.9 | Confident | 73.2 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 176.4 | -178.1 | -87.1 | 0 | 0 | 0 | 111 | V529 Y530 P534 L537 F543 S582 M583 E584 Y589 W590 F655 | V529-F586 WeakPolarHBondContact O-CD2 3.45Å; Y530-F586 HydrophobicContact CD1-CD2 4.32Å; Y530-F586 WeakPolarHBondContact O-CE2 3.18Å; P534-F586 HydrophobicContact CG-CD1 4.23Å; P534-F586 HydrophobicContact CG-CD2 4.21Å; P534-F586 HydrophobicContact CG-CE1 4.34Å; P534-F586 HydrophobicContact CG-CE2 4.44Å; P534-F586 HydrophobicContact CG-CG 4.11Å; P534-F586 HydrophobicContact CG-CZ 4.49Å; L537-F586 HydrophobicContact CD1-CD1 4.34Å; L537-F586 HydrophobicContact CD1-CE1 3.98Å; F543-F586 HydrophobicContact CE1-CD1 4.34Å; F543-F586 HydrophobicContact CE2-CD1 4.09Å; F543-F586 HydrophobicContact CE2-CE1 4.04Å; F543-F586 AromaticContact CZ-CD1 3.77Å; F543-F586 HydrophobicContact CZ-CD1 3.77Å; F543-F586 AromaticContact CZ-CE1 3.95Å; F543-F586 HydrophobicContact CZ-CE1 3.95Å; S582-F586 WeakPolarHBondContact O-CB 3.45Å; S582-F586 PolarHBondContact O-N 3.1Å; M583-F586 WeakPolarHBondContact O-CB 3.36Å; M583-F586 PolarHBondContact O-N 2.95Å; E584-F586 PolarHBondContact O-N 3.15Å; F586-Y589 WeakPolarHBondContact O-CB 3.48Å; F586-Y589 PolarHBondContact O-N 3.36Å; F586-W590 AromaticContact CD1-CD1 3.67Å; F586-W590 AromaticContact CD2-CD1 3.91Å; F586-W590 AromaticContact CD2-NE1 3.81Å; F586-W590 AromaticContact CE1-CD1 3.44Å; F586-W590 HydrophobicContact CE1-CG 4.39Å; F586-W590 AromaticContact CE1-NE1 3.69Å; F586-W590 AromaticContact CE2-CD1 3.81Å; F586-W590 AromaticContact CE2-NE1 3.29Å; F586-W590 VanDerWaalsContact CE2-NE1 3.29Å; F586-W590 AromaticContact CG-CD1 3.95Å; F586-W590 AromaticContact CZ-CD1 3.52Å; F586-W590 AromaticContact CZ-NE1 3.21Å; F586-W590 VanDerWaalsContact CZ-NE1 3.33Å; F586-W590 VanDerWaalsContact O-CD1 3.23Å; F586-W590 PolarHBondContact O-N 3.13Å; F586-W590 VanDerWaalsContact O-N 3.11Å; F586-F655 AromaticContact CE1-CE2 3.94Å; F586-F655 HydrophobicContact CE1-CE2 4.01Å; F586-F655 AromaticContact CE1-CZ 3.91Å; F586-F655 HydrophobicContact CE1-CZ 4.01Å; F586-F655 HydrophobicContact CZ-CE1 4.18Å; F586-F655 HydrophobicContact CZ-CE2 4.22Å; F586-F655 AromaticContact CZ-CZ 3.74Å; F586-F655 HydrophobicContact CZ-CZ 3.74Å |
| 587 | R | 77 | Confident | 73.4 | Confident | 61.5 Ų | 61.5 | 52.9 Ų | 52.9 | 23% | 0.232 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -51 | 178.4 | 178 | -176.2 | 161 | -151.1 | 0.6 | 112 | F543 I546 M583 E584 Y589 W590 T591 | F543-R587 HydrophobicContact CD1-CB 3.88Å; F543-R587 HydrophobicContact CD1-CG 3.92Å; F543-R587 HydrophobicContact CE1-CB 3.75Å; F543-R587 HydrophobicContact CE1-CG 4.08Å; F543-R587 HydrophobicContact CE2-CB 4.3Å; F543-R587 HydrophobicContact CE2-CG 4.43Å; F543-R587 HydrophobicContact CG-CG 4.37Å; F543-R587 HydrophobicContact CZ-CB 4.07Å; F543-R587 HydrophobicContact CZ-CG 3.83Å; I546-R587 HydrophobicContact CG2-CB 4.45Å; I546-R587 WeakPolarHBondContact O-CD 3.46Å; I546-R587 VanDerWaalsContact O-CZ 3.22Å; I546-R587 PolarHBondContact O-NE 3.42Å; I546-R587 PolarHBondContact O-NH1 2.87Å; M583-R587 VanDerWaalsContact O-CB 3.31Å; M583-R587 WeakPolarHBondContact O-CB 3.26Å; M583-R587 PolarHBondContact O-N 3.38Å; E584-R587 PolarHBondContact O-N 3.08Å; E584-R587 IonicContact OE1-CZ 3.42Å; E584-R587 IonicContact OE1-NH1 3.03Å; E584-R587 PolarHBondContact OE1-NH1 3.06Å; E584-R587 IonicContact OE2-NH1 3.38Å; E584-R587 PolarHBondContact OE2-NH1 2.58Å; R587-Y589 VanDerWaalsContact C-N 3.28Å; R587-Y589 PolarHBondContact O-N 3.21Å; R587-W590 PolarHBondContact O-N 3.05Å; R587-T591 VanDerWaalsContact O-CB 3.28Å; R587-T591 WeakPolarHBondContact O-CB 3.42Å; R587-T591 PolarHBondContact O-N 3.11Å; R587-T591 PolarHBondContact O-OG1 2.85Å |
| 588 | I | 77.1 | Confident | 73.4 | Confident | 86.5 Ų | 86.5 | 53.7 Ų | 53.7 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.5 | -42.7 | -179.9 | -69.8 | 165.7 | 0 | 0 | 0 | 110 | E584 T591 N592 | E584-I588 HydrophobicContact CG-CD1 4Å; E584-I588 WeakPolarHBondContact O-CB 3.3Å; E584-I588 VanDerWaalsContact O-CG1 3.25Å; E584-I588 WeakPolarHBondContact O-CG1 3.37Å; E584-I588 PolarHBondContact O-N 3.12Å; I588-T591 PolarHBondContact O-N 3.36Å; I588-N592 WeakPolarHBondContact O-CB 3.46Å; I588-N592 VanDerWaalsContact O-CG 3.24Å; I588-N592 PolarHBondContact O-N 2.88Å; I588-N592 VanDerWaalsContact O-N 3.08Å; I588-N592 PolarHBondContact O-ND2 3.23Å; I588-N592 VanDerWaalsContact O-ND2 3.08Å |
| 589 | Y | 79.1 | Confident | 73.4 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 7% | 0.071 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.3 | -55.3 | 178.3 | -179.3 | -90 | 0 | 0 | 0 | 112.4 | M520 L524 Y530 K585 F586 R587 T591 N592 L593 | M520-Y589 HydrophobicContact CB-CE2 4.03Å; M520-Y589 HydrophobicContact CE-CD2 4.32Å; M520-Y589 HydrophobicContact CE-CE2 4Å; M520-Y589 HydrophobicContact CG-CD2 4.28Å; M520-Y589 HydrophobicContact CG-CE2 3.84Å; M520-Y589 WeakPolarHBondContact CG-OH 3.09Å; M520-Y589 PolarHBondContact O-OH 3.14Å; M520-Y589 VanDerWaalsContact O-OH 3.14Å; M520-Y589 HydrophobicContact SD-CE2 4.22Å; L524-Y589 HydrophobicContact CD1-CE1 3.64Å; L524-Y589 VanDerWaalsContact CD1-OH 3.27Å; L524-Y589 WeakPolarHBondContact CD1-OH 3.44Å; L524-Y589 HydrophobicContact CD2-CE1 3.74Å; L524-Y589 HydrophobicContact CG-CE1 3.88Å; L524-Y589 WeakPolarHBondContact CG-OH 3.48Å; Y530-Y589 AromaticContact CD1-CD1 3.85Å; Y530-Y589 HydrophobicContact CD1-CD1 4.04Å; Y530-Y589 HydrophobicContact CD1-CD2 4.11Å; Y530-Y589 AromaticContact CD1-CG 3.55Å; Y530-Y589 HydrophobicContact CD1-CG 3.79Å; Y530-Y589 VanDerWaalsContact CE1-CB 3.47Å; Y530-Y589 HydrophobicContact CE1-CD1 4.5Å; Y530-Y589 HydrophobicContact CE1-CD2 4.24Å; Y530-Y589 AromaticContact CE1-CG 3.74Å; Y530-Y589 HydrophobicContact CE1-CG 3.94Å; Y530-Y589 HydrophobicContact CG-CD1 4.33Å; Y530-Y589 HydrophobicContact CG-CD2 4.48Å; Y530-Y589 HydrophobicContact CG-CG 4.3Å; K585-Y589 WeakPolarHBondContact O-CB 3.39Å; K585-Y589 PolarHBondContact O-N 3Å; K585-Y589 VanDerWaalsContact O-N 3.13Å; F586-Y589 WeakPolarHBondContact O-CB 3.48Å; F586-Y589 PolarHBondContact O-N 3.36Å; R587-Y589 VanDerWaalsContact C-N 3.28Å; R587-Y589 PolarHBondContact O-N 3.21Å; Y589-T591 VanDerWaalsContact C-N 3.32Å; Y589-T591 PolarHBondContact O-N 3.32Å; Y589-N592 WeakPolarHBondContact O-CB 3.31Å; Y589-N592 PolarHBondContact O-N 3.33Å; Y589-L593 HydrophobicContact CD1-CD1 4.18Å; Y589-L593 HydrophobicContact CE1-CD1 3.39Å; Y589-L593 VanDerWaalsContact CE1-CD1 3.42Å; Y589-L593 HydrophobicContact CE1-CG 4.21Å; Y589-L593 PolarHBondContact O-N 3.07Å |
| 590 | W | 79.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -33 | -179.8 | -73.9 | 103.7 | 0 | 0 | 0 | 113 | L524 Y530 F543 F586 R587 N592 L593 I594 F655 L657 V664 F666 F677 I679 | L524-W590 HydrophobicContact CD2-CH2 4.46Å; L524-W590 HydrophobicContact CD2-CZ2 4.1Å; Y530-W590 PolarHBondContact O-NE1 3.48Å; F543-W590 HydrophobicContact CE2-CB 4.35Å; F543-W590 HydrophobicContact CZ-CB 3.96Å; F586-W590 AromaticContact CD1-CD1 3.67Å; F586-W590 AromaticContact CD2-CD1 3.91Å; F586-W590 AromaticContact CD2-NE1 3.81Å; F586-W590 AromaticContact CE1-CD1 3.44Å; F586-W590 HydrophobicContact CE1-CG 4.39Å; F586-W590 AromaticContact CE1-NE1 3.69Å; F586-W590 AromaticContact CE2-CD1 3.81Å; F586-W590 AromaticContact CE2-NE1 3.29Å; F586-W590 VanDerWaalsContact CE2-NE1 3.29Å; F586-W590 AromaticContact CG-CD1 3.95Å; F586-W590 AromaticContact CZ-CD1 3.52Å; F586-W590 AromaticContact CZ-NE1 3.21Å; F586-W590 VanDerWaalsContact CZ-NE1 3.33Å; F586-W590 VanDerWaalsContact O-CD1 3.23Å; F586-W590 PolarHBondContact O-N 3.13Å; F586-W590 VanDerWaalsContact O-N 3.11Å; R587-W590 PolarHBondContact O-N 3.05Å; W590-N592 VanDerWaalsContact C-N 3.3Å; W590-N592 PolarHBondContact O-N 3.17Å; W590-L593 HydrophobicContact CD2-CD1 4.44Å; W590-L593 HydrophobicContact CE3-CD1 3.82Å; W590-L593 HydrophobicContact CZ3-CD1 3.95Å; W590-L593 WeakPolarHBondContact O-CB 3.29Å; W590-L593 PolarHBondContact O-N 2.9Å; W590-I594 WeakPolarHBondContact O-CG1 3.47Å; W590-I594 PolarHBondContact O-N 3.21Å; W590-I594 VanDerWaalsContact O-N 3.11Å; W590-F655 HydrophobicContact CD2-CZ 4.38Å; W590-L657 HydrophobicContact CB-CD1 3.75Å; W590-L657 HydrophobicContact CB-CD2 3.74Å; W590-L657 HydrophobicContact CB-CG 4.42Å; W590-L657 HydrophobicContact CG-CD1 4.31Å; W590-L657 HydrophobicContact CG-CD2 4.42Å; W590-V664 HydrophobicContact CE3-CG2 4.11Å; W590-V664 HydrophobicContact CH2-CG1 4.02Å; W590-V664 HydrophobicContact CZ3-CG1 4.09Å; W590-V664 HydrophobicContact CZ3-CG2 4.13Å; W590-F666 AromaticContact CH2-CE1 3.99Å; W590-F666 HydrophobicContact CH2-CE1 4.14Å; W590-F666 AromaticContact CZ2-CE1 3.77Å; W590-F666 HydrophobicContact CZ2-CE1 3.93Å; W590-F666 AromaticContact CZ2-CZ 3.95Å; W590-F666 HydrophobicContact CZ2-CZ 3.95Å; W590-F677 HydrophobicContact CH2-CB 4.24Å; W590-F677 HydrophobicContact CH2-CD1 4.28Å; W590-F677 AromaticContact CH2-CD2 3.55Å; W590-F677 HydrophobicContact CH2-CD2 3.55Å; W590-F677 HydrophobicContact CH2-CE1 4.49Å; W590-F677 AromaticContact CH2-CE2 3.88Å; W590-F677 HydrophobicContact CH2-CE2 3.88Å; W590-F677 AromaticContact CH2-CG 3.76Å; W590-F677 HydrophobicContact CH2-CG 3.76Å; W590-F677 HydrophobicContact CH2-CZ 4.37Å; W590-F677 AromaticContact CZ3-CD2 3.72Å; W590-F677 HydrophobicContact CZ3-CD2 3.72Å; W590-F677 AromaticContact CZ3-CE2 3.81Å; W590-F677 HydrophobicContact CZ3-CE2 3.81Å; W590-F677 HydrophobicContact CZ3-CG 4.39Å; W590-F677 HydrophobicContact CZ3-CZ 4.48Å; W590-I679 HydrophobicContact CE3-CD1 4.47Å; W590-I679 HydrophobicContact CZ3-CD1 4.13Å; W590-I679 HydrophobicContact CZ3-CG1 4.11Å |
| 591 | T | 78.8 | Confident | 73.6 | Confident | 63.5 Ų | 63.5 | 48.8 Ų | 48.8 | 39% | 0.39 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 174.3 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | R587 I588 Y589 L593 I594 S595 | R587-T591 VanDerWaalsContact O-CB 3.28Å; R587-T591 WeakPolarHBondContact O-CB 3.42Å; R587-T591 PolarHBondContact O-N 3.11Å; R587-T591 PolarHBondContact O-OG1 2.85Å; I588-T591 PolarHBondContact O-N 3.36Å; Y589-T591 VanDerWaalsContact C-N 3.32Å; Y589-T591 PolarHBondContact O-N 3.32Å; T591-L593 VanDerWaalsContact C-N 3.3Å; T591-L593 PolarHBondContact O-N 3.17Å; T591-I594 PolarHBondContact O-N 3.14Å; T591-S595 WeakPolarHBondContact O-CB 3.44Å; T591-S595 PolarHBondContact O-N 3.24Å; T591-S595 PolarHBondContact O-OG 2.87Å |
| 592 | N | 76.1 | Confident | 73.6 | Confident | 76 Ų | 76 | 46.2 Ų | 46.2 | 41% | 0.406 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.3 | -26 | 175.8 | -69.9 | -28.7 | 0 | 0 | 0 | 113.4 | M520 I588 Y589 W590 S595 L596 | M520-N592 HydrophobicContact CE-CB 3.76Å; M520-N592 HydrophobicContact SD-CB 4.39Å; I588-N592 WeakPolarHBondContact O-CB 3.46Å; I588-N592 VanDerWaalsContact O-CG 3.24Å; I588-N592 PolarHBondContact O-N 2.88Å; I588-N592 VanDerWaalsContact O-N 3.08Å; I588-N592 PolarHBondContact O-ND2 3.23Å; I588-N592 VanDerWaalsContact O-ND2 3.08Å; Y589-N592 WeakPolarHBondContact O-CB 3.31Å; Y589-N592 PolarHBondContact O-N 3.33Å; W590-N592 VanDerWaalsContact C-N 3.3Å; W590-N592 PolarHBondContact O-N 3.17Å; N592-S595 WeakPolarHBondContact CA-OG 3.44Å; N592-S595 PolarHBondContact O-OG 2.85Å; N592-L596 WeakPolarHBondContact O-CG 3.49Å |
| 593 | L | 75.5 | Confident | 73.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.8 | -35.1 | 173.1 | -80.8 | 175.5 | 0 | 0 | 0 | 112.8 | M520 L521 L524 Y589 W590 T591 L596 M604 F605 I679 | M520-L593 HydrophobicContact CE-CD2 3.69Å; M520-L593 VanDerWaalsContact CE-CD2 3.44Å; M520-L593 HydrophobicContact CE-CG 3.86Å; L521-L593 HydrophobicContact CD2-CD2 3.93Å; L524-L593 HydrophobicContact CD1-CD1 3.85Å; Y589-L593 HydrophobicContact CD1-CD1 4.18Å; Y589-L593 HydrophobicContact CE1-CD1 3.39Å; Y589-L593 VanDerWaalsContact CE1-CD1 3.42Å; Y589-L593 HydrophobicContact CE1-CG 4.21Å; Y589-L593 PolarHBondContact O-N 3.07Å; W590-L593 HydrophobicContact CD2-CD1 4.44Å; W590-L593 HydrophobicContact CE3-CD1 3.82Å; W590-L593 HydrophobicContact CZ3-CD1 3.95Å; W590-L593 WeakPolarHBondContact O-CB 3.29Å; W590-L593 PolarHBondContact O-N 2.9Å; T591-L593 VanDerWaalsContact C-N 3.3Å; T591-L593 PolarHBondContact O-N 3.17Å; L593-L596 HydrophobicContact CD2-CD1 4.09Å; L593-L596 VanDerWaalsContact O-CD1 3.28Å; L593-L596 WeakPolarHBondContact O-CD1 3.45Å; L593-L596 VanDerWaalsContact O-CG 3.25Å; L593-L596 WeakPolarHBondContact O-CG 3.42Å; L593-M604 HydrophobicContact CD2-CE 4Å; L593-M604 HydrophobicContact CD2-SD 4.25Å; L593-F605 HydrophobicContact CD2-CE2 4.46Å; L593-F605 HydrophobicContact CD2-CZ 4.07Å; L593-I679 HydrophobicContact CB-CD1 4.38Å; L593-I679 HydrophobicContact CD1-CD1 4.44Å |
| 594 | I | 75.4 | Confident | 73 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 17% | 0.169 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.8 | -38.6 | 177.8 | -61 | 164.4 | 0 | 0 | 0 | 111.3 | W590 T591 L596 L657 C662 I679 | W590-I594 WeakPolarHBondContact O-CG1 3.47Å; W590-I594 PolarHBondContact O-N 3.21Å; W590-I594 VanDerWaalsContact O-N 3.11Å; T591-I594 PolarHBondContact O-N 3.14Å; I594-L596 PolarHBondContact O-N 3.35Å; I594-L596 VanDerWaalsContact O-N 3.09Å; I594-L657 HydrophobicContact CD1-CB 3.69Å; I594-L657 HydrophobicContact CD1-CD1 3.5Å; I594-L657 HydrophobicContact CD1-CD2 4.16Å; I594-L657 HydrophobicContact CD1-CG 4.05Å; I594-L657 HydrophobicContact CG1-CB 4.5Å; I594-L657 HydrophobicContact CG1-CD1 4.03Å; I594-C662 HydrophobicContact CD1-CB 3.72Å; I594-I679 HydrophobicContact CG1-CG2 4.42Å |
| 595 | S | 74.9 | Confident | 73 | Confident | 87.5 Ų | 87.5 | 45.2 Ų | 45.2 | 61% | 0.612 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -0.1 | -176.5 | 64.1 | 0 | 0 | 0 | 0 | 114.2 | T591 N592 | T591-S595 WeakPolarHBondContact O-CB 3.44Å; T591-S595 PolarHBondContact O-N 3.24Å; T591-S595 PolarHBondContact O-OG 2.87Å; N592-S595 WeakPolarHBondContact CA-OG 3.44Å; N592-S595 PolarHBondContact O-OG 2.85Å |
| 596 | L | 71.5 | Confident | 72.8 | Confident | 13.5 Ų | 13.5 | 42.7 Ų | 42.7 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -63.4 | 137.7 | 173.4 | -61.7 | 177.2 | 0 | 0 | 0 | 111.8 | M517 N592 L593 I594 L600 R601 M604 F605 | M517-L596 HydrophobicContact CE-CD1 3.6Å; M517-L596 HydrophobicContact CE-CD2 3.36Å; M517-L596 VanDerWaalsContact CE-CD2 3.5Å; M517-L596 HydrophobicContact CE-CG 4.06Å; M517-L596 HydrophobicContact SD-CD1 4.23Å; M517-L596 HydrophobicContact SD-CD2 3.56Å; M517-L596 VanDerWaalsContact SD-CD2 3.56Å; N592-L596 WeakPolarHBondContact O-CG 3.49Å; L593-L596 HydrophobicContact CD2-CD1 4.09Å; L593-L596 VanDerWaalsContact O-CD1 3.28Å; L593-L596 WeakPolarHBondContact O-CD1 3.45Å; L593-L596 VanDerWaalsContact O-CG 3.25Å; L593-L596 WeakPolarHBondContact O-CG 3.42Å; I594-L596 PolarHBondContact O-N 3.35Å; I594-L596 VanDerWaalsContact O-N 3.09Å; L596-L600 HydrophobicContact CB-CB 4.37Å; L596-L600 HydrophobicContact CD2-CD1 4.41Å; L596-R601 HydrophobicContact CB-CG 3.76Å; L596-R601 HydrophobicContact CD1-CG 4.29Å; L596-R601 PolarHBondContact O-NE 2.75Å; L596-R601 PolarHBondContact O-NH1 3.37Å; L596-M604 HydrophobicContact CD1-SD 3.35Å; L596-M604 WeakPolarHBondContact CD1-SD 3.32Å; L596-F605 HydrophobicContact CD1-CE2 4.41Å |
| 597 | S | 68.2 | Low | 72.6 | Confident | 52.5 Ų | 52.5 | 44.1 Ų | 44.1 | 37% | 0.367 | 24% | 0.236 | S | C | . | . | trans | -62.2 | 153.9 | 173.5 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | V599 L600 R601 | S597-V599 PolarHBondContact O-N 3.15Å; S597-V599 VanDerWaalsContact O-N 3.16Å; S597-L600 PolarHBondContact O-N 3.4Å; S597-L600 WeakPolarHBondContact OG-CG 3.37Å; S597-L600 PolarHBondContact OG-N 3.28Å; S597-R601 PolarHBondContact O-N 3.22Å | ||
| 598 | P | 67.1 | Low | 72.6 | Confident | 70.5 Ų | 70.5 | 42.4 Ų | 42.4 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.7 | -37 | 179.2 | -25.6 | 33.9 | 0 | 0 | 0 | 113.2 | R601 R602 | P598-R601 PolarHBondContact O-N 2.97Å; P598-R602 PolarHBondContact O-N 3.16Å; P598-R602 VanDerWaalsContact O-N 3.11Å |
| 599 | V | 65 | Low | 72.6 | Confident | 60 Ų | 60 | 41.9 Ų | 41.9 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -46.9 | 175 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | T309 S597 R601 R602 K603 | T309-V599 HydrophobicContact CG2-CG1 3.59Å; S597-V599 PolarHBondContact O-N 3.15Å; S597-V599 VanDerWaalsContact O-N 3.16Å; V599-R601 VanDerWaalsContact C-N 3.31Å; V599-R601 PolarHBondContact O-N 3.1Å; V599-R602 PolarHBondContact O-N 3.41Å; V599-K603 WeakPolarHBondContact O-CG 3.35Å; V599-K603 PolarHBondContact O-N 2.95Å; V599-K603 VanDerWaalsContact O-N 3.12Å |
| 600 | L | 66.2 | Low | 72.7 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.9 | -31.1 | 179.7 | -71.2 | 175.1 | 0 | 0 | 0 | 112.8 | V513 M517 L596 S597 K603 M604 | V513-L600 HydrophobicContact CG1-CD1 3.96Å; M517-L600 HydrophobicContact CE-CB 3.73Å; M517-L600 HydrophobicContact CE-CD1 4.18Å; M517-L600 HydrophobicContact CE-CD2 4.09Å; M517-L600 HydrophobicContact CE-CG 4.2Å; L596-L600 HydrophobicContact CB-CB 4.37Å; L596-L600 HydrophobicContact CD2-CD1 4.41Å; S597-L600 PolarHBondContact O-N 3.4Å; S597-L600 WeakPolarHBondContact OG-CG 3.37Å; S597-L600 PolarHBondContact OG-N 3.28Å; L600-K603 HydrophobicContact CD2-CD 4.36Å; L600-K603 WeakPolarHBondContact O-CB 3.41Å; L600-K603 PolarHBondContact O-N 2.85Å; L600-M604 WeakPolarHBondContact O-CB 3.26Å; L600-M604 WeakPolarHBondContact O-CG 3.37Å; L600-M604 PolarHBondContact O-N 2.98Å; L600-M604 VanDerWaalsContact O-N 3.07Å |
| 601 | R | 71.8 | Confident | 72.7 | Confident | 8.66667 Ų | 8.66667 | 42.5 Ų | 42.5 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.2 | -46.2 | 175.4 | -72.2 | -168.3 | -64.9 | 168.1 | 8.4 | 112.6 | L596 S597 P598 V599 K603 M604 F605 R681 E692 N694 | L596-R601 HydrophobicContact CB-CG 3.76Å; L596-R601 HydrophobicContact CD1-CG 4.29Å; L596-R601 PolarHBondContact O-NE 2.75Å; L596-R601 PolarHBondContact O-NH1 3.37Å; S597-R601 PolarHBondContact O-N 3.22Å; P598-R601 PolarHBondContact O-N 2.97Å; V599-R601 VanDerWaalsContact C-N 3.31Å; V599-R601 PolarHBondContact O-N 3.1Å; R601-K603 CarbonylContact O-C 3.56Å; R601-K603 PolarHBondContact O-N 3.15Å; R601-K603 VanDerWaalsContact O-N 3.15Å; R601-M604 PolarHBondContact O-N 3.3Å; R601-M604 VanDerWaalsContact O-N 3.1Å; R601-F605 HydrophobicContact CB-CD2 4.37Å; R601-F605 HydrophobicContact CG-CD2 4.44Å; R601-F605 PolarHBondContact O-N 3.26Å; R601-R681 VanDerWaalsContact CZ-NH1 3.34Å; R601-R681 VanDerWaalsContact NH1-NH1 3.14Å; R601-E692 IonicContact CZ-OE1 3.19Å; R601-E692 VanDerWaalsContact CZ-OE1 3.25Å; R601-E692 IonicContact CZ-OE2 2.84Å; R601-E692 IonicContact NE-OE1 2.64Å; R601-E692 PolarHBondContact NE-OE1 3.35Å; R601-E692 VanDerWaalsContact NH1-CD 3.25Å; R601-E692 IonicContact NH1-OE1 2.84Å; R601-E692 IonicContact NH1-OE2 3.32Å; R601-E692 PolarHBondContact NH1-OE2 3.39Å; R601-E692 IonicContact NH2-OE1 2.96Å; R601-E692 PolarHBondContact NH2-OE1 3.18Å; R601-E692 IonicContact NH2-OE2 3.5Å; R601-E692 PolarHBondContact NH2-OE2 3.08Å; R601-N694 WeakPolarHBondContact CD-OD1 3.49Å |
| 602 | R | 68 | Low | 72.9 | Confident | 89.3333 Ų | 89.3333 | 39.8 Ų | 39.8 | 34% | 0.337 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.7 | -20.6 | 174.6 | -69.6 | -174.8 | -167.3 | 168.5 | 2.3 | 114 | V313 P598 V599 V607 | V313-R602 HydrophobicContact CG1-CB 3.63Å; V313-R602 HydrophobicContact CG1-CG 4.27Å; P598-R602 PolarHBondContact O-N 3.16Å; P598-R602 VanDerWaalsContact O-N 3.11Å; V599-R602 PolarHBondContact O-N 3.41Å; R602-V607 HydrophobicContact CB-CG2 4.42Å; R602-V607 HydrophobicContact CG-CB 4.18Å; R602-V607 HydrophobicContact CG-CG1 4.31Å; R602-V607 HydrophobicContact CG-CG2 3.96Å |
| 603 | K | 65.7 | Low | 73.2 | Confident | 39.3333 Ų | 39.3333 | 36.2 Ų | 36.2 | 17% | 0.171 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75.2 | -57.4 | 167.1 | -65.6 | -178.6 | -179.5 | -175 | 0 | 109.7 | Q426 E427 V599 L600 R601 F605 | Q426-K603 HydrophobicContact CB-CB 3.9Å; Q426-K603 HydrophobicContact CB-CD 4.05Å; Q426-K603 HydrophobicContact CB-CG 3.88Å; Q426-K603 HydrophobicContact CG-CB 4.31Å; Q426-K603 PolarHBondContact NE2-O 3.12Å; Q426-K603 VanDerWaalsContact O-CD 3.31Å; Q426-K603 WeakPolarHBondContact O-CD 3.03Å; Q426-K603 VanDerWaalsContact O-CE 3.29Å; Q426-K603 WeakPolarHBondContact O-CE 3.21Å; Q426-K603 VanDerWaalsContact OE1-CA 3.24Å; Q426-K603 VanDerWaalsContact OE1-CB 3.24Å; Q426-K603 PolarHBondContact OE1-O 2.91Å; E427-K603 HydrophobicContact CG-CD 4.3Å; V599-K603 WeakPolarHBondContact O-CG 3.35Å; V599-K603 PolarHBondContact O-N 2.95Å; V599-K603 VanDerWaalsContact O-N 3.12Å; L600-K603 HydrophobicContact CD2-CD 4.36Å; L600-K603 WeakPolarHBondContact O-CB 3.41Å; L600-K603 PolarHBondContact O-N 2.85Å; R601-K603 CarbonylContact O-C 3.56Å; R601-K603 PolarHBondContact O-N 3.15Å; R601-K603 VanDerWaalsContact O-N 3.15Å; K603-F605 VanDerWaalsContact C-N 3.34Å; K603-F605 PolarHBondContact O-N 3.08Å |
| 604 | M | 65.2 | Low | 73.6 | Confident | 25 Ų | 25 | 36.3 Ų | 36.3 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.5 | -26.4 | -170.6 | -65.5 | -127.3 | 75.9 | 0 | 0 | 115.6 | M517 L521 L593 L596 L600 R601 | M517-M604 HydrophobicContact CB-CE 4.27Å; M517-M604 HydrophobicContact CB-SD 4.12Å; M517-M604 HydrophobicContact CE-CG 3.99Å; M517-M604 HydrophobicContact CE-SD 3.3Å; M517-M604 WeakPolarHBondContact CE-SD 3.27Å; M517-M604 HydrophobicContact CG-SD 4.45Å; M517-M604 HydrophobicContact SD-CE 4.27Å; M517-M604 HydrophobicContact SD-CG 4.47Å; M517-M604 HydrophobicContact SD-SD 3.52Å; L521-M604 HydrophobicContact CD1-CB 4.12Å; L521-M604 HydrophobicContact CD1-CE 3.45Å; L521-M604 HydrophobicContact CD1-CG 4.48Å; L521-M604 HydrophobicContact CD1-SD 3.62Å; L521-M604 HydrophobicContact CD2-CE 3.67Å; L521-M604 HydrophobicContact CG-CE 3.66Å; L521-M604 VanDerWaalsContact CG-CE 3.4Å; L521-M604 HydrophobicContact CG-SD 3.99Å; L593-M604 HydrophobicContact CD2-CE 4Å; L593-M604 HydrophobicContact CD2-SD 4.25Å; L596-M604 HydrophobicContact CD1-SD 3.35Å; L596-M604 WeakPolarHBondContact CD1-SD 3.32Å; L600-M604 WeakPolarHBondContact O-CB 3.26Å; L600-M604 WeakPolarHBondContact O-CG 3.37Å; L600-M604 PolarHBondContact O-N 2.98Å; L600-M604 VanDerWaalsContact O-N 3.07Å; R601-M604 PolarHBondContact O-N 3.3Å; R601-M604 VanDerWaalsContact O-N 3.1Å |
| 605 | F | 73.2 | Confident | 73.7 | Confident | 10.3333 Ų | 10.3333 | 35.8 Ų | 35.8 | 5% | 0.045 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -129.6 | 152 | -170.7 | -58.8 | -66.2 | 0 | 0 | 0 | 110.9 | L521 L593 L596 R601 K603 V607 F677 I679 N694 F695 | L521-F605 HydrophobicContact CD2-CE1 4.08Å; L521-F605 HydrophobicContact CD2-CZ 3.96Å; L593-F605 HydrophobicContact CD2-CE2 4.46Å; L593-F605 HydrophobicContact CD2-CZ 4.07Å; L596-F605 HydrophobicContact CD1-CE2 4.41Å; R601-F605 HydrophobicContact CB-CD2 4.37Å; R601-F605 HydrophobicContact CG-CD2 4.44Å; R601-F605 PolarHBondContact O-N 3.26Å; K603-F605 VanDerWaalsContact C-N 3.34Å; K603-F605 PolarHBondContact O-N 3.08Å; F605-V607 HydrophobicContact CB-CG2 4.22Å; F605-V607 PolarHBondContact O-N 3.22Å; F605-F677 AromaticContact CE1-CE2 3.69Å; F605-F677 HydrophobicContact CE1-CE2 3.69Å; F605-F677 AromaticContact CE1-CZ 3.68Å; F605-F677 HydrophobicContact CE1-CZ 3.68Å; F605-F677 HydrophobicContact CZ-CE2 4.14Å; F605-F677 HydrophobicContact CZ-CZ 4.25Å; F605-I679 HydrophobicContact CE2-CD1 4.34Å; F605-I679 HydrophobicContact CZ-CD1 4.16Å; F605-N694 HydrophobicContact CB-CB 3.8Å; F605-N694 HydrophobicContact CD2-CB 4.04Å; F605-N694 HydrophobicContact CG-CB 3.9Å; F605-F695 WeakPolarHBondContact CA-O 3.23Å; F605-F695 WeakPolarHBondContact CB-O 3.37Å; F605-F695 WeakPolarHBondContact CD1-O 3.36Å |
| 606 | H | 73 | Confident | 73.7 | Confident | 72.6667 Ų | 72.6667 | 33.8 Ų | 33.8 | 34% | 0.336 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.9 | 159.5 | -163.3 | -77.5 | 0 | 0 | 0 | 107.5 | K23 D608 N694 F695 R704 | K23-H606 PolarHBondContact NZ-NE2 3.11Å; H606-D608 IonicContact CE1-OD1 3.12Å; H606-D608 PolarHBondContact CE1-OD1 3.05Å; H606-D608 IonicContact CG-OD1 3.57Å; H606-D608 IonicContact ND1-OD1 3.35Å; H606-D608 PolarHBondContact ND1-OD1 2.89Å; H606-N694 CarbonylContact O-C 3.57Å; H606-N694 WeakPolarHBondContact O-CA 3.14Å; H606-F695 HydrophobicContact CB-CB 4.25Å; H606-F695 PolarHBondContact N-O 2.83Å; H606-F695 VanDerWaalsContact N-O 3.07Å; H606-F695 WeakPolarHBondContact O-CD2 3.3Å; H606-F695 PolarHBondContact O-N 3.17Å; H606-R704 PolarHBondContact CD2-NH1 2.78Å; H606-R704 PolarHBondContact CE1-NH1 3.13Å; H606-R704 VanDerWaalsContact CE1-NH1 3.27Å; H606-R704 VanDerWaalsContact CG-NH1 3.28Å; H606-R704 PolarHBondContact ND1-NH1 3.36Å; H606-R704 VanDerWaalsContact ND1-NH1 3.12Å; H606-R704 PolarHBondContact NE2-NH1 3.1Å |
| 607 | V | 75.6 | Confident | 73.5 | Confident | 30.6667 Ų | 30.6667 | 35.1 Ų | 35.1 | 19% | 0.186 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 108.3 | -174.4 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | R602 F605 R609 E692 L693 N694 | R602-V607 HydrophobicContact CB-CG2 4.42Å; R602-V607 HydrophobicContact CG-CB 4.18Å; R602-V607 HydrophobicContact CG-CG1 4.31Å; R602-V607 HydrophobicContact CG-CG2 3.96Å; F605-V607 HydrophobicContact CB-CG2 4.22Å; F605-V607 PolarHBondContact O-N 3.22Å; V607-R609 HydrophobicContact CG1-CG 4.29Å; V607-E692 HydrophobicContact CG1-CG 3.4Å; V607-E692 VanDerWaalsContact CG1-CG 3.43Å; V607-E692 WeakPolarHBondContact CG1-OE1 3.35Å; V607-L693 CarbonylContact C-O 3.48Å; V607-L693 WeakPolarHBondContact CA-O 3.29Å; V607-N694 WeakPolarHBondContact CG2-OD1 3.45Å |
| 608 | D | 77.4 | Confident | 73 | Confident | 26.3333 Ų | 26.3333 | 35.7 Ų | 35.7 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 143.3 | 170.4 | -60.1 | -1.6 | 0 | 0 | 0 | 108.2 | H606 E692 L693 F695 S708 | H606-D608 IonicContact CE1-OD1 3.12Å; H606-D608 PolarHBondContact CE1-OD1 3.05Å; H606-D608 IonicContact CG-OD1 3.57Å; H606-D608 IonicContact ND1-OD1 3.35Å; H606-D608 PolarHBondContact ND1-OD1 2.89Å; D608-E692 CarbonylContact O-C 3.57Å; D608-E692 WeakPolarHBondContact O-CA 3.38Å; D608-L693 HydrophobicContact CB-CB 4.33Å; D608-L693 PolarHBondContact N-O 3.43Å; D608-L693 PolarHBondContact O-N 3.06Å; D608-F695 HydrophobicContact CB-CE2 4Å; D608-F695 VanDerWaalsContact OD2-CE2 3.23Å; D608-F695 WeakPolarHBondContact OD2-CE2 3.25Å; D608-S708 PolarHBondContact OD2-OG 2.82Å; D608-S708 VanDerWaalsContact OD2-OG 3.1Å |
| 609 | R | 77.8 | Confident | 72.2 | Confident | 76.3333 Ų | 76.3333 | 36.3 Ų | 36.3 | 29% | 0.288 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.5 | 179.3 | -70.9 | 179.1 | 125 | -149.4 | -6.8 | 109.6 | V607 V691 E692 D754 | V607-R609 HydrophobicContact CG1-CG 4.29Å; R609-V691 WeakPolarHBondContact CA-O 3.39Å; R609-E692 HydrophobicContact CG-CB 4.43Å; R609-E692 HydrophobicContact CG-CG 4.29Å; R609-E692 IonicContact CZ-OE2 3.25Å; R609-E692 IonicContact NE-OE2 3.72Å; R609-E692 PolarHBondContact NE-OE2 2.9Å; R609-E692 IonicContact NH2-OE2 2.7Å; R609-E692 PolarHBondContact NH2-OE2 3.24Å; R609-D754 IonicContact CZ-OD2 2.88Å; R609-D754 VanDerWaalsContact CZ-OD2 3.32Å; R609-D754 IonicContact NH1-OD1 2.92Å; R609-D754 IonicContact NH1-OD2 3.23Å; R609-D754 PolarHBondContact NH1-OD2 3.02Å; R609-D754 IonicContact NH2-OD2 3.35Å; R609-D754 PolarHBondContact NH2-OD2 3.14Å |
| 610 | L | 80.7 | Confident | 71.5 | Confident | 22 Ų | 22 | 35.5 Ų | 35.5 | 12% | 0.115 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133 | 175.4 | -56.8 | 173.4 | 0 | 0 | 0 | 108.2 | F612 T690 V691 L693 S708 V710 L748 | L610-F612 HydrophobicContact CB-CD2 4.46Å; L610-F612 HydrophobicContact CB-CE2 3.67Å; L610-F612 HydrophobicContact CB-CZ 3.97Å; L610-F612 HydrophobicContact CD1-CE2 4.38Å; L610-F612 HydrophobicContact CD1-CZ 4.14Å; L610-T690 WeakPolarHBondContact O-CA 3.45Å; L610-V691 HydrophobicContact CB-CB 4.41Å; L610-V691 PolarHBondContact N-O 3.04Å; L610-V691 PolarHBondContact O-N 3.2Å; L610-L693 HydrophobicContact CD1-CD1 3.93Å; L610-S708 WeakPolarHBondContact CD1-O 3.39Å; L610-V710 HydrophobicContact CD1-CG2 3.9Å; L610-L748 HydrophobicContact CB-CD1 4.13Å; L610-L748 HydrophobicContact CD2-CD1 4.24Å |
| 611 | N | 79.9 | Confident | 70.7 | Confident | 8.66667 Ų | 8.66667 | 35 Ų | 35 | 5% | 0.046 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129 | 176.8 | -54.3 | -60.4 | 0 | 0 | 0 | 109 | T690 I749 A751 P752 | N611-T690 WeakPolarHBondContact OD1-CG2 3.11Å; N611-T690 PolarHBondContact OD1-OG1 2.9Å; N611-I749 PolarHBondContact O-N 3.21Å; N611-A751 PolarHBondContact ND2-O 3.04Å; N611-P752 WeakPolarHBondContact ND2-CA 3.32Å |
| 612 | F | 82.6 | Confident | 69.3 | Low | 6.33333 Ų | 6.33333 | 40.2 Ų | 40.2 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.1 | 175.9 | -56.3 | -87.2 | 0 | 0 | 0 | 110.1 | L610 V689 V691 L712 C746 F747 L748 | L610-F612 HydrophobicContact CB-CD2 4.46Å; L610-F612 HydrophobicContact CB-CE2 3.67Å; L610-F612 HydrophobicContact CB-CZ 3.97Å; L610-F612 HydrophobicContact CD1-CE2 4.38Å; L610-F612 HydrophobicContact CD1-CZ 4.14Å; F612-V689 HydrophobicContact CB-CB 4.24Å; F612-V689 PolarHBondContact N-O 2.98Å; F612-V689 PolarHBondContact O-N 3.06Å; F612-V691 HydrophobicContact CD2-CG2 3.8Å; F612-V691 HydrophobicContact CE2-CB 4.05Å; F612-V691 HydrophobicContact CE2-CG2 3.62Å; F612-L712 HydrophobicContact CD1-CD2 3.93Å; F612-L712 HydrophobicContact CE1-CB 4.34Å; F612-L712 HydrophobicContact CE1-CD1 4.09Å; F612-L712 HydrophobicContact CE1-CD2 3.68Å; F612-L712 HydrophobicContact CE2-CD2 4.47Å; F612-L712 HydrophobicContact CG-CD2 4.43Å; F612-L712 HydrophobicContact CZ-CD1 4.01Å; F612-L712 HydrophobicContact CZ-CD2 3.97Å; F612-C746 HydrophobicContact CB-CB 4.29Å; F612-F747 CarbonylContact C-O 3.57Å; F612-F747 VanDerWaalsContact CA-O 3.25Å; F612-F747 WeakPolarHBondContact CA-O 3.45Å; F612-L748 HydrophobicContact CD1-CB 4.16Å; F612-L748 HydrophobicContact CD1-CD1 4.09Å; F612-L748 HydrophobicContact CE1-CB 4.02Å; F612-L748 HydrophobicContact CE1-CD1 3.61Å; F612-L748 HydrophobicContact CE1-CG 4.41Å; F612-L748 HydrophobicContact CZ-CD1 3.9Å |
| 613 | V | 83.4 | Confident | 67.8 | Low | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.2 | 167.9 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | L688 C746 F747 I749 L753 R829 V830 I831 | V613-L688 HydrophobicContact CG2-CD1 4.04Å; V613-L688 HydrophobicContact CG2-CD2 3.9Å; V613-C746 CarbonylContact O-C 3.56Å; V613-C746 WeakPolarHBondContact O-CA 3.31Å; V613-C746 WeakPolarHBondContact O-CB 3.39Å; V613-F747 PolarHBondContact N-O 3.22Å; V613-F747 PolarHBondContact O-N 2.99Å; V613-I749 HydrophobicContact CB-CD1 4.15Å; V613-I749 HydrophobicContact CG2-CD1 3.38Å; V613-I749 VanDerWaalsContact CG2-CD1 3.45Å; V613-I749 HydrophobicContact CG2-CG1 4.23Å; V613-L753 HydrophobicContact CG2-CD1 3.89Å; V613-R829 HydrophobicContact CG1-CB 4.24Å; V613-V830 VanDerWaalsContact CG1-O 3.27Å; V613-V830 WeakPolarHBondContact CG1-O 3.32Å; V613-I831 HydrophobicContact CG1-CG2 4.14Å; V613-I831 HydrophobicContact CG2-CG2 3.76Å |
| 614 | L | 82.4 | Confident | 66.5 | Low | 3.33333 Ų | 3.33333 | 42.2 Ų | 42.2 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 142.3 | 174.4 | -63.8 | 180 | 0 | 0 | 0 | 110.2 | F638 R642 V645 M684 E686 P687 V689 C746 | L614-F638 HydrophobicContact CB-CB 4.27Å; L614-F638 HydrophobicContact CB-CD1 3.94Å; L614-F638 HydrophobicContact CB-CG 4.38Å; L614-F638 HydrophobicContact CD1-CB 3.98Å; L614-R642 HydrophobicContact CD1-CB 4.31Å; L614-V645 HydrophobicContact CD2-CG2 3.79Å; L614-M684 HydrophobicContact CD1-CE 4.22Å; L614-E686 HydrophobicContact CD1-CG 4.09Å; L614-P687 HydrophobicContact CB-CB 4.28Å; L614-P687 WeakPolarHBondContact CG-O 3.4Å; L614-P687 PolarHBondContact N-O 3.01Å; L614-V689 HydrophobicContact CD1-CG2 4.07Å; L614-V689 HydrophobicContact CD2-CG2 3.83Å; L614-V689 HydrophobicContact CG-CG2 3.79Å; L614-C746 HydrophobicContact CD2-CB 4.13Å |
| 615 | N | 79 | Confident | 65.3 | Low | 21.3333 Ų | 21.3333 | 44.7 Ų | 44.7 | 11% | 0.114 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 142.7 | 172.8 | -154 | 11.1 | 0 | 0 | 0 | 110.4 | F638 S641 V743 P744 A745 F747 | N615-F638 WeakPolarHBondContact O-CD1 3.45Å; N615-S641 WeakPolarHBondContact O-CB 3.38Å; N615-S641 PolarHBondContact O-OG 3.16Å; N615-V743 VanDerWaalsContact ND2-CG1 3.26Å; N615-V743 WeakPolarHBondContact ND2-CG1 3.35Å; N615-P744 VanDerWaalsContact CB-O 3.31Å; N615-P744 WeakPolarHBondContact CB-O 3.47Å; N615-P744 PolarHBondContact ND2-O 3.25Å; N615-P744 VanDerWaalsContact ND2-O 3.16Å; N615-A745 PolarHBondContact N-O 2.79Å; N615-F747 HydrophobicContact CB-CE2 3.87Å |
| 616 | H | 74.8 | Confident | 63.6 | Low | 46.6667 Ų | 46.6667 | 50.7 Ų | 50.7 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 154 | 177.1 | 60 | -83.5 | 0 | 0 | 0 | 110.6 | S618 L621 V636 F638 | H616-S618 PolarHBondContact O-N 3.25Å; H616-L621 VanDerWaalsContact CD2-CD1 3.49Å; H616-L621 WeakPolarHBondContact CD2-CD1 3.25Å; H616-V636 HydrophobicContact CB-CG1 3.52Å; H616-V636 VanDerWaalsContact CB-CG1 3.5Å; H616-F638 HydrophobicContact CB-CD1 4.43Å; H616-F638 HydrophobicContact CB-CE1 3.9Å |
| 617 | E | 66.9 | Low | 61.9 | Low | 39.6667 Ų | 39.6667 | 52.4 Ų | 52.4 | 19% | 0.185 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 123.5 | 177.1 | -68.8 | -179.1 | -174.9 | 0 | 0 | 111.2 | S619 T620 Y637 D639 E640 | E617-S619 PolarHBondContact O-N 3.11Å; E617-T620 HydrophobicContact CB-CG2 4.01Å; E617-T620 PolarHBondContact O-N 3.13Å; E617-T620 VanDerWaalsContact O-N 3.15Å; E617-T620 PolarHBondContact O-OG1 2.99Å; E617-T620 VanDerWaalsContact O-OG1 3.1Å; E617-Y637 PolarHBondContact N-O 3.09Å; E617-D639 WeakPolarHBondContact OE1-CA 3.38Å; E617-D639 PolarHBondContact OE1-N 3.32Å; E617-E640 HydrophobicContact CG-CB 4.38Å; E617-E640 VanDerWaalsContact OE1-CB 3.3Å; E617-E640 WeakPolarHBondContact OE1-CB 3.21Å; E617-E640 PolarHBondContact OE1-N 3.18Å |
| 618 | S | 57.7 | Low | 59.9 | Low | 64.6667 Ų | 64.6667 | 56.2 Ų | 56.2 | 45% | 0.452 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.7 | -22.6 | -173.9 | -19.3 | 0 | 0 | 0 | 0 | 114.4 | H616 N622 | H616-S618 PolarHBondContact O-N 3.25Å; S618-N622 VanDerWaalsContact O-CB 3.31Å; S618-N622 WeakPolarHBondContact O-CB 3.41Å; S618-N622 VanDerWaalsContact O-CG 3.29Å; S618-N622 PolarHBondContact O-N 2.65Å; S618-N622 PolarHBondContact O-ND2 3.29Å |
| 619 | S | 50.8 | Low | 57.8 | Low | 84.6667 Ų | 84.6667 | 61.3 Ų | 61.3 | 59% | 0.592 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -72.6 | -26.6 | -179.5 | 47.4 | 0 | 0 | 0 | 0 | 113.6 | E617 L621 S623 | E617-S619 PolarHBondContact O-N 3.11Å; S619-L621 VanDerWaalsContact C-N 3.28Å; S619-L621 PolarHBondContact O-N 3Å; S619-S623 PolarHBondContact O-N 3.23Å |
| 620 | T | 50.2 | Low | 55.9 | Low | 42.6667 Ų | 42.6667 | 65.8 Ų | 65.8 | 26% | 0.262 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -77.7 | -21.6 | -172.2 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | E617 Y637 | E617-T620 HydrophobicContact CB-CG2 4.01Å; E617-T620 PolarHBondContact O-N 3.13Å; E617-T620 VanDerWaalsContact O-N 3.15Å; E617-T620 PolarHBondContact O-OG1 2.99Å; E617-T620 VanDerWaalsContact O-OG1 3.1Å; T620-Y637 HydrophobicContact CG2-CD2 3.92Å |
| 621 | L | 49.1 | Very low | 54 | Low | 16 Ų | 16 | 69.4 Ų | 69.4 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -19.5 | -177.9 | -72.5 | 175.3 | 0 | 0 | 0 | 112.8 | H616 S619 H817 L820 H821 L824 | H616-L621 VanDerWaalsContact CD2-CD1 3.49Å; H616-L621 WeakPolarHBondContact CD2-CD1 3.25Å; S619-L621 VanDerWaalsContact C-N 3.28Å; S619-L621 PolarHBondContact O-N 3Å; L621-H817 WeakPolarHBondContact CD2-NE2 3.29Å; L621-L820 HydrophobicContact CD2-CD2 4.28Å; L621-H821 WeakPolarHBondContact CB-NE2 3.46Å; L621-H821 PolarHBondContact O-CE1 2.85Å; L621-H821 VanDerWaalsContact O-CE1 3.26Å; L621-H821 PolarHBondContact O-NE2 3.02Å; L621-L824 HydrophobicContact CD1-CD1 3.44Å; L621-L824 VanDerWaalsContact CD1-CD1 3.44Å |
| 622 | N | 41.1 | Very low | 52.3 | Low | 119 Ų | 119 | 77 Ų | 77 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | trans | -93.8 | -3.6 | -175.5 | -70.2 | -10.4 | 0 | 0 | 0 | 114.2 | S618 S624 | S618-N622 VanDerWaalsContact O-CB 3.31Å; S618-N622 WeakPolarHBondContact O-CB 3.41Å; S618-N622 VanDerWaalsContact O-CG 3.29Å; S618-N622 PolarHBondContact O-N 2.65Å; S618-N622 PolarHBondContact O-ND2 3.29Å; N622-S624 VanDerWaalsContact C-N 3.31Å; N622-S624 PolarHBondContact O-N 2.97Å | ||
| 623 | S | 38 | Very low | 50.8 | Low | 75.3333 Ų | 75.3333 | 81.1 Ų | 81.1 | 53% | 0.527 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -66.3 | 113.3 | 168.1 | 58.9 | 0 | 0 | 0 | 0 | 108.5 | S619 F625 | S619-S623 PolarHBondContact O-N 3.23Å; S623-F625 VanDerWaalsContact C-N 3.33Å; S623-F625 PolarHBondContact O-N 3.07Å |
| 624 | S | 37.4 | Very low | 49.4 | Very low | 95 Ų | 95 | 84.9 Ų | 84.9 | 66% | 0.664 | 48% | 0.48 | S | S | * | . | trans | -17.2 | 100.2 | 169.4 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | N622 Y626 | N622-S624 VanDerWaalsContact C-N 3.31Å; N622-S624 PolarHBondContact O-N 2.97Å; S624-Y626 CarbonylContact O-C 3.59Å; S624-Y626 WeakPolarHBondContact O-CA 3.17Å; S624-Y626 PolarHBondContact O-N 3.03Å; S624-Y626 VanDerWaalsContact O-O 3.09Å | ||
| 625 | F | 40 | Very low | 48.2 | Very low | 77.6667 Ų | 77.6667 | 88.5 Ų | 88.5 | 34% | 0.341 | 50% | 0.503 | S | S | . | . | S | Bend | trans | 6.8 | 6.8 | 167.7 | -68.8 | -84.5 | 0 | 0 | 0 | 121 | S623 P627 L814 H817 H821 L1318 | S623-F625 VanDerWaalsContact C-N 3.33Å; S623-F625 PolarHBondContact O-N 3.07Å; F625-P627 WeakPolarHBondContact O-CD 3.37Å; F625-L814 HydrophobicContact CB-CD1 4.4Å; F625-L814 VanDerWaalsContact O-CD1 3.27Å; F625-L814 WeakPolarHBondContact O-CD1 3.19Å; F625-H817 AromaticContact CD1-ND1 3.52Å; F625-H817 AromaticContact CE1-CE1 3.77Å; F625-H817 AromaticContact CE1-ND1 3.16Å; F625-H817 WeakPolarHBondContact CE1-ND1 3.29Å; F625-H821 AromaticContact CZ-CD2 3.74Å; F625-H821 AromaticContact CZ-NE2 3.7Å; F625-L1318 HydrophobicContact CB-CD2 4.22Å; F625-L1318 HydrophobicContact CD1-CD2 3.56Å; F625-L1318 VanDerWaalsContact CD1-CD2 3.43Å; F625-L1318 HydrophobicContact CD1-CG 4.45Å; F625-L1318 HydrophobicContact CD2-CD2 4.16Å; F625-L1318 HydrophobicContact CE1-CD2 3.79Å; F625-L1318 HydrophobicContact CE1-CG 4.2Å; F625-L1318 HydrophobicContact CE2-CD2 4.44Å; F625-L1318 HydrophobicContact CG-CD2 4.01Å; F625-L1318 HydrophobicContact CZ-CD2 4.42Å |
| 626 | Y | 38.7 | Very low | 47.7 | Very low | 136.667 Ų | 136.667 | 88.3 Ų | 88.3 | 54% | 0.536 | 50% | 0.502 | S | S | . | . | trans | -123.8 | 91.7 | 174.1 | -73.5 | -82.8 | 0 | 0 | 0 | 109.5 | S624 C628 H1260 R1314 | S624-Y626 CarbonylContact O-C 3.59Å; S624-Y626 WeakPolarHBondContact O-CA 3.17Å; S624-Y626 PolarHBondContact O-N 3.03Å; S624-Y626 VanDerWaalsContact O-O 3.09Å; Y626-C628 VanDerWaalsContact C-N 3.27Å; Y626-C628 PolarHBondContact O-N 3.14Å; Y626-H1260 PolarHBondContact OH-CE1 3.15Å; Y626-H1260 VanDerWaalsContact OH-CE1 3.29Å; Y626-R1314 PolarHBondContact OH-NH2 3.25Å | ||
| 627 | P | 36.3 | Very low | 47.6 | Very low | 107.333 Ų | 107.333 | 92 Ų | 92 | 70% | 0.697 | 52% | 0.515 | S | S | * | . | trans | -68.4 | 101.3 | 159.4 | 29.6 | -28.2 | 0 | 0 | 0 | 107.3 | F625 D629 | F625-P627 WeakPolarHBondContact O-CD 3.37Å; P627-D629 VanDerWaalsContact C-N 3.33Å; P627-D629 PolarHBondContact O-N 3.32Å | ||
| 628 | C | 32.9 | Very low | 48.2 | Very low | 110 Ų | 110 | 90.7 Ų | 90.7 | 74% | 0.743 | 51% | 0.508 | S | S | * | . | trans | -66.6 | 124.9 | 160.9 | -166.3 | 0 | 0 | 0 | 0 | 107 | Y626 D630 | Y626-C628 VanDerWaalsContact C-N 3.27Å; Y626-C628 PolarHBondContact O-N 3.14Å; C628-D630 PolarHBondContact O-N 3.28Å | ||
| 629 | D | 34.3 | Very low | 49.2 | Very low | 135 Ų | 135 | 92 Ų | 92 | 72% | 0.722 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 126.7 | 90.5 | 169.9 | -64.6 | -25.9 | 0 | 0 | 0 | 116.2 | P627 S631 | P627-D629 VanDerWaalsContact C-N 3.33Å; P627-D629 PolarHBondContact O-N 3.32Å; D629-S631 PolarHBondContact O-N 3.07Å |
| 630 | D | 38.6 | Very low | 50.4 | Low | 169.667 Ų | 169.667 | 92.7 Ų | 92.7 | 91% | 0.907 | 50% | 0.504 | S | S | * | . | trans | -55 | 25.7 | 173 | -72.2 | -28.7 | 0 | 0 | 0 | 118.9 | C628 | C628-D630 PolarHBondContact O-N 3.28Š| ||
| 631 | S | 40.8 | Very low | 51.9 | Low | 97.3333 Ų | 97.3333 | 91 Ų | 91 | 68% | 0.681 | 49% | 0.494 | S | S | * | . | trans | -110.3 | 113.5 | 170.2 | 63.7 | 0 | 0 | 0 | 0 | 112.5 | D629 Y633 | D629-S631 PolarHBondContact O-N 3.07Å; S631-Y633 PolarHBondContact O-N 3.22Å; S631-Y633 VanDerWaalsContact O-N 3.12Å | ||
| 632 | E | 44.3 | Very low | 53.4 | Low | 169 Ų | 169 | 94.2 Ų | 94.2 | 79% | 0.79 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -51.2 | 79.6 | 178 | -69.5 | 178.7 | 148.3 | 0 | 0 | 113.3 | ||
| 633 | Y | 51 | Low | 55.3 | Low | 92 Ų | 92 | 90.9 Ų | 90.9 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | S | Bend | trans | 73.7 | 119.1 | 171.2 | -52.1 | -80.6 | 0 | 0 | 0 | 113.8 | S631 V635 G836 P861 L888 | S631-Y633 PolarHBondContact O-N 3.22Å; S631-Y633 VanDerWaalsContact O-N 3.12Å; Y633-V635 WeakPolarHBondContact O-CG2 3.27Å; Y633-V635 PolarHBondContact O-N 3.08Å; Y633-G836 VanDerWaalsContact CD1-CA 3.44Å; Y633-P861 HydrophobicContact CD1-CB 4.3Å; Y633-P861 HydrophobicContact CE1-CB 4.15Å; Y633-L888 HydrophobicContact CE1-CD2 4.46Å; Y633-L888 HydrophobicContact CE2-CD2 4.42Å; Y633-L888 WeakPolarHBondContact OH-CD2 3.09Å |
| 634 | S | 52.5 | Low | 57.4 | Low | 80.3333 Ų | 80.3333 | 88.3 Ų | 88.3 | 56% | 0.562 | 48% | 0.477 | S | S | * | . | trans | -58.1 | 98.6 | 177.1 | 58 | 0 | 0 | 0 | 0 | 111.9 | V636 | S634-V636 PolarHBondContact O-N 3.23Š| ||
| 635 | V | 58.3 | Low | 59.4 | Low | 79.3333 Ų | 79.3333 | 83.9 Ų | 83.9 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 120.1 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 108.3 | Y633 Y637 | Y633-V635 WeakPolarHBondContact O-CG2 3.27Å; Y633-V635 PolarHBondContact O-N 3.08Å; V635-Y637 HydrophobicContact CG1-CE1 4.49Å; V635-Y637 VanDerWaalsContact O-CD2 3.26Å; V635-Y637 WeakPolarHBondContact O-CD2 3.21Å; V635-Y637 VanDerWaalsContact O-CE2 3.26Å; V635-Y637 WeakPolarHBondContact O-CE2 3.41Å; V635-Y637 PolarHBondContact O-N 2.9Å |
| 636 | V | 67.2 | Low | 61.4 | Low | 16.6667 Ų | 16.6667 | 81.8 Ų | 81.8 | 10% | 0.101 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 123.6 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 109 | H616 S634 F638 | H616-V636 HydrophobicContact CB-CG1 3.52Å; H616-V636 VanDerWaalsContact CB-CG1 3.5Å; S634-V636 PolarHBondContact O-N 3.23Å; V636-F638 HydrophobicContact CB-CE2 4.02Å; V636-F638 HydrophobicContact CB-CZ 3.92Å; V636-F638 HydrophobicContact CG1-CE1 3.95Å; V636-F638 HydrophobicContact CG1-CE2 3.93Å; V636-F638 HydrophobicContact CG1-CZ 3.46Å; V636-F638 VanDerWaalsContact CG1-CZ 3.46Å; V636-F638 WeakPolarHBondContact O-CD2 3.35Å; V636-F638 WeakPolarHBondContact O-CE2 3.36Å |
| 637 | Y | 74.4 | Confident | 63.4 | Low | 125 Ų | 125 | 77.8 Ų | 77.8 | 49% | 0.49 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -92.4 | 148.8 | 179.3 | -61 | -81.3 | 0 | 0 | 0 | 112.1 | E617 T620 V635 | E617-Y637 PolarHBondContact N-O 3.09Å; T620-Y637 HydrophobicContact CG2-CD2 3.92Å; V635-Y637 HydrophobicContact CG1-CE1 4.49Å; V635-Y637 VanDerWaalsContact O-CD2 3.26Å; V635-Y637 WeakPolarHBondContact O-CD2 3.21Å; V635-Y637 VanDerWaalsContact O-CE2 3.26Å; V635-Y637 WeakPolarHBondContact O-CE2 3.41Å; V635-Y637 PolarHBondContact O-N 2.9Å |
| 638 | F | 78.7 | Confident | 65.6 | Low | 10.6667 Ų | 10.6667 | 74.8 Ų | 74.8 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | trans | -135.5 | 17.6 | -175.6 | -56.9 | -82.9 | 0 | 0 | 0 | 112.9 | L614 N615 H616 V636 E640 S641 R642 P687 V830 | L614-F638 HydrophobicContact CB-CB 4.27Å; L614-F638 HydrophobicContact CB-CD1 3.94Å; L614-F638 HydrophobicContact CB-CG 4.38Å; L614-F638 HydrophobicContact CD1-CB 3.98Å; N615-F638 WeakPolarHBondContact O-CD1 3.45Å; H616-F638 HydrophobicContact CB-CD1 4.43Å; H616-F638 HydrophobicContact CB-CE1 3.9Å; V636-F638 HydrophobicContact CB-CE2 4.02Å; V636-F638 HydrophobicContact CB-CZ 3.92Å; V636-F638 HydrophobicContact CG1-CE1 3.95Å; V636-F638 HydrophobicContact CG1-CE2 3.93Å; V636-F638 HydrophobicContact CG1-CZ 3.46Å; V636-F638 VanDerWaalsContact CG1-CZ 3.46Å; V636-F638 WeakPolarHBondContact O-CD2 3.35Å; V636-F638 WeakPolarHBondContact O-CE2 3.36Å; F638-E640 PolarHBondContact O-N 2.91Å; F638-S641 WeakPolarHBondContact O-CA 3.42Å; F638-S641 WeakPolarHBondContact O-CB 3.42Å; F638-S641 PolarHBondContact O-N 2.96Å; F638-S641 VanDerWaalsContact O-N 3.08Å; F638-R642 VanDerWaalsContact O-CB 3.3Å; F638-R642 WeakPolarHBondContact O-CB 3.24Å; F638-R642 PolarHBondContact O-N 3Å; F638-P687 HydrophobicContact CD1-CB 3.83Å; F638-P687 HydrophobicContact CD2-CB 4.01Å; F638-P687 HydrophobicContact CE1-CB 3.55Å; F638-P687 HydrophobicContact CE1-CG 4.33Å; F638-P687 HydrophobicContact CE2-CB 3.74Å; F638-P687 HydrophobicContact CE2-CG 4.13Å; F638-P687 HydrophobicContact CG-CB 4.07Å; F638-P687 HydrophobicContact CZ-CB 3.52Å; F638-P687 HydrophobicContact CZ-CG 3.89Å; F638-V830 HydrophobicContact CZ-CB 4.18Å; F638-V830 HydrophobicContact CZ-CG1 4.08Å | ||
| 639 | D | 78 | Confident | 67.9 | Low | 93.3333 Ų | 93.3333 | 69.6 Ų | 69.6 | 50% | 0.499 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | -168.1 | -77.3 | -37.1 | 0 | 0 | 0 | 112.8 | E617 S641 R642 A643 | E617-D639 WeakPolarHBondContact OE1-CA 3.38Å; E617-D639 PolarHBondContact OE1-N 3.32Å; D639-S641 VanDerWaalsContact C-N 3.33Å; D639-S641 PolarHBondContact O-N 2.74Å; D639-R642 WeakPolarHBondContact O-CB 3.38Å; D639-R642 PolarHBondContact O-N 3.19Å; D639-A643 WeakPolarHBondContact O-CB 3.34Å; D639-A643 PolarHBondContact O-N 2.95Å |
| 640 | E | 77.2 | Confident | 70.1 | Confident | 99.3333 Ų | 99.3333 | 66.7 Ų | 66.7 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.3 | -168.8 | -175 | -165.8 | 0 | 0 | 110.5 | E617 F638 R642 A643 A644 R714 T719 | E617-E640 HydrophobicContact CG-CB 4.38Å; E617-E640 VanDerWaalsContact OE1-CB 3.3Å; E617-E640 WeakPolarHBondContact OE1-CB 3.21Å; E617-E640 PolarHBondContact OE1-N 3.18Å; F638-E640 PolarHBondContact O-N 2.91Å; E640-R642 PolarHBondContact O-N 3.02Å; E640-A643 PolarHBondContact O-N 3.33Å; E640-A644 WeakPolarHBondContact O-CB 3.33Å; E640-A644 PolarHBondContact O-N 3.16Å; E640-A644 VanDerWaalsContact O-N 3.08Å; E640-R714 PolarHBondContact O-NH2 2.74Å; E640-R714 IonicContact OE1-NE 3.93Å; E640-R714 IonicContact OE2-CZ 2.73Å; E640-R714 VanDerWaalsContact OE2-CZ 3.23Å; E640-R714 IonicContact OE2-NE 3.76Å; E640-R714 PolarHBondContact OE2-NE 2.84Å; E640-R714 VanDerWaalsContact OE2-NE 3.08Å; E640-R714 IonicContact OE2-NH1 3.58Å; E640-R714 PolarHBondContact OE2-NH1 3.5Å; E640-T719 WeakPolarHBondContact OE1-CG2 3.43Å; E640-T719 PolarHBondContact OE1-OG1 2.96Å |
| 641 | S | 80.2 | Confident | 72 | Confident | 6.33333 Ų | 6.33333 | 67.4 Ų | 67.4 | 4% | 0.044 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 177.8 | -68.4 | 0 | 0 | 0 | 0 | 111.9 | N615 F638 D639 A644 V645 R714 A745 | N615-S641 WeakPolarHBondContact O-CB 3.38Å; N615-S641 PolarHBondContact O-OG 3.16Å; F638-S641 WeakPolarHBondContact O-CA 3.42Å; F638-S641 WeakPolarHBondContact O-CB 3.42Å; F638-S641 PolarHBondContact O-N 2.96Å; F638-S641 VanDerWaalsContact O-N 3.08Å; D639-S641 VanDerWaalsContact C-N 3.33Å; D639-S641 PolarHBondContact O-N 2.74Å; S641-A644 PolarHBondContact O-N 3.25Å; S641-V645 WeakPolarHBondContact O-CG2 3.38Å; S641-V645 PolarHBondContact O-N 3.21Å; S641-V645 VanDerWaalsContact O-N 3.14Å; S641-R714 VanDerWaalsContact CA-NH1 3.28Å; S641-R714 VanDerWaalsContact N-CZ 3.34Å; S641-R714 PolarHBondContact OG-NH1 3.41Å; S641-A745 VanDerWaalsContact CB-O 3.25Å; S641-A745 WeakPolarHBondContact CB-O 3.4Å; S641-A745 PolarHBondContact OG-O 3.38Å; S641-A745 VanDerWaalsContact OG-O 3.13Å |
| 642 | R | 82.2 | Confident | 73.8 | Confident | 83.3333 Ų | 83.3333 | 65 Ų | 65 | 31% | 0.314 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.3 | -51.2 | 174.1 | 171.9 | -178 | -173.2 | 157.8 | 3.4 | 112.1 | L614 F638 D639 E640 A644 V645 E646 M684 E686 | L614-R642 HydrophobicContact CD1-CB 4.31Å; F638-R642 VanDerWaalsContact O-CB 3.3Å; F638-R642 WeakPolarHBondContact O-CB 3.24Å; F638-R642 PolarHBondContact O-N 3Å; D639-R642 WeakPolarHBondContact O-CB 3.38Å; D639-R642 PolarHBondContact O-N 3.19Å; E640-R642 PolarHBondContact O-N 3.02Å; R642-A644 VanDerWaalsContact C-N 3.27Å; R642-A644 PolarHBondContact O-N 3.16Å; R642-V645 PolarHBondContact O-N 3.17Å; R642-V645 VanDerWaalsContact O-N 3.14Å; R642-E646 HydrophobicContact CG-CG 4.49Å; R642-E646 IonicContact CZ-OE1 3.52Å; R642-E646 IonicContact NE-OE1 3.32Å; R642-E646 PolarHBondContact NE-OE1 2.88Å; R642-E646 IonicContact NH2-OE1 3.69Å; R642-E646 PolarHBondContact NH2-OE1 2.67Å; R642-E646 PolarHBondContact O-N 3.19Å; R642-M684 HydrophobicContact CB-CE 4.08Å; R642-M684 HydrophobicContact CG-CE 3.64Å; R642-M684 VanDerWaalsContact CG-CE 3.47Å; R642-E686 WeakPolarHBondContact CD-OE1 3.43Å; R642-E686 VanDerWaalsContact CG-OE1 3.29Å; R642-E686 WeakPolarHBondContact CG-OE1 3.28Å; R642-E686 IonicContact CZ-OE1 2.99Å; R642-E686 IonicContact NE-OE1 3.27Å; R642-E686 PolarHBondContact NE-OE1 2.96Å; R642-E686 IonicContact NH1-OE1 3.13Å; R642-E686 PolarHBondContact NH1-OE1 3.29Å; R642-E686 IonicContact NH1-OE2 3.17Å; R642-E686 IonicContact NH2-OE1 3.66Å |
| 643 | A | 81.3 | Confident | 75.5 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | D639 E640 D647 | D639-A643 WeakPolarHBondContact O-CB 3.34Å; D639-A643 PolarHBondContact O-N 2.95Å; E640-A643 PolarHBondContact O-N 3.33Å; A643-D647 WeakPolarHBondContact O-CB 3.38Å; A643-D647 PolarHBondContact O-N 3.09Å |
| 644 | A | 80.4 | Confident | 76.9 | Confident | 20.6667 Ų | 20.6667 | 55.6 Ų | 55.6 | 17% | 0.171 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E640 S641 R642 F648 R714 I717 A745 | E640-A644 WeakPolarHBondContact O-CB 3.33Å; E640-A644 PolarHBondContact O-N 3.16Å; E640-A644 VanDerWaalsContact O-N 3.08Å; S641-A644 PolarHBondContact O-N 3.25Å; R642-A644 VanDerWaalsContact C-N 3.27Å; R642-A644 PolarHBondContact O-N 3.16Å; A644-F648 WeakPolarHBondContact O-CB 3.41Å; A644-F648 PolarHBondContact O-N 3.14Å; A644-R714 HydrophobicContact CB-CG 3.97Å; A644-I717 HydrophobicContact CB-CB 4.36Å; A644-I717 HydrophobicContact CB-CD1 3.76Å; A644-I717 HydrophobicContact CB-CG2 4.12Å; A644-I717 VanDerWaalsContact O-CD1 3.32Å; A644-I717 WeakPolarHBondContact O-CD1 3.44Å; A644-A745 HydrophobicContact CB-CB 4Å |
| 645 | V | 81 | Confident | 78.2 | Confident | 2.66667 Ų | 2.66667 | 52.5 Ų | 52.5 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | L614 S641 R642 D647 F648 F649 V689 L712 C746 | L614-V645 HydrophobicContact CD2-CG2 3.79Å; S641-V645 WeakPolarHBondContact O-CG2 3.38Å; S641-V645 PolarHBondContact O-N 3.21Å; S641-V645 VanDerWaalsContact O-N 3.14Å; R642-V645 PolarHBondContact O-N 3.17Å; R642-V645 VanDerWaalsContact O-N 3.14Å; V645-D647 PolarHBondContact O-N 3.42Å; V645-F648 WeakPolarHBondContact O-CB 3.42Å; V645-F648 PolarHBondContact O-N 3.07Å; V645-F649 HydrophobicContact CG1-CD2 3.82Å; V645-F649 HydrophobicContact CG1-CE2 3.7Å; V645-F649 WeakPolarHBondContact O-CD2 3.43Å; V645-F649 PolarHBondContact O-N 3.16Å; V645-F649 VanDerWaalsContact O-N 3.1Å; V645-V689 HydrophobicContact CG1-CG1 4.41Å; V645-L712 HydrophobicContact CB-CD2 4.22Å; V645-L712 HydrophobicContact CG1-CD2 4.2Å; V645-L712 HydrophobicContact CG2-CD2 3.99Å; V645-C746 HydrophobicContact CG2-CB 4.34Å |
| 646 | E | 81.8 | Confident | 79.2 | Confident | 33.3333 Ų | 33.3333 | 50.2 Ų | 50.2 | 16% | 0.156 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 177.2 | -70.5 | -177 | -176.6 | 0 | 0 | 111.6 | R642 F648 L650 T660 | R642-E646 HydrophobicContact CG-CG 4.49Å; R642-E646 IonicContact CZ-OE1 3.52Å; R642-E646 IonicContact NE-OE1 3.32Å; R642-E646 PolarHBondContact NE-OE1 2.88Å; R642-E646 IonicContact NH2-OE1 3.69Å; R642-E646 PolarHBondContact NH2-OE1 2.67Å; R642-E646 PolarHBondContact O-N 3.19Å; E646-F648 PolarHBondContact O-N 2.82Å; E646-L650 WeakPolarHBondContact O-CB 3.32Å; E646-L650 WeakPolarHBondContact O-CD1 3.32Å; E646-L650 VanDerWaalsContact O-CG 3.28Å; E646-L650 WeakPolarHBondContact O-CG 3.43Å; E646-L650 PolarHBondContact O-N 3.05Å; E646-L650 VanDerWaalsContact O-N 3.1Å; E646-T660 VanDerWaalsContact OE2-CG2 3.27Å; E646-T660 WeakPolarHBondContact OE2-CG2 3.47Å |
| 647 | D | 79.9 | Confident | 79.6 | Confident | 53 Ų | 53 | 49.7 Ų | 49.7 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 175.5 | 178.3 | 65.7 | 0 | 0 | 0 | 112.4 | R564 A643 V645 L650 R651 | R564-D647 IonicContact NH2-OD1 2.81Å; A643-D647 WeakPolarHBondContact O-CB 3.38Å; A643-D647 PolarHBondContact O-N 3.09Å; V645-D647 PolarHBondContact O-N 3.42Å; D647-L650 PolarHBondContact O-N 3.25Å; D647-R651 VanDerWaalsContact CG-NH2 3.3Å; D647-R651 VanDerWaalsContact O-CG 3.31Å; D647-R651 WeakPolarHBondContact O-CG 3.31Å; D647-R651 PolarHBondContact O-N 2.82Å; D647-R651 VanDerWaalsContact O-N 3.14Å; D647-R651 IonicContact OD1-CZ 3.05Å; D647-R651 IonicContact OD1-NE 3.69Å; D647-R651 PolarHBondContact OD1-NE 3.2Å; D647-R651 VanDerWaalsContact OD1-NE 3.1Å; D647-R651 IonicContact OD1-NH2 3.35Å; D647-R651 PolarHBondContact OD1-NH2 3.12Å; D647-R651 VanDerWaalsContact OD1-NH2 3.11Å; D647-R651 IonicContact OD2-CZ 3.49Å; D647-R651 IonicContact OD2-NE 3.23Å; D647-R651 PolarHBondContact OD2-NE 3.32Å; D647-R651 IonicContact OD2-NH1 3.28Å; D647-R651 IonicContact OD2-NH2 3.52Å; D647-R651 PolarHBondContact OD2-NH2 3.13Å |
| 648 | F | 82.3 | Confident | 79.5 | Confident | 44.3333 Ų | 44.3333 | 45.8 Ų | 45.8 | 19% | 0.194 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -52.5 | 174.4 | 177.2 | -87 | 0 | 0 | 0 | 111.7 | A644 V645 E646 L650 R651 F652 V710 L712 I717 | A644-F648 WeakPolarHBondContact O-CB 3.41Å; A644-F648 PolarHBondContact O-N 3.14Å; V645-F648 WeakPolarHBondContact O-CB 3.42Å; V645-F648 PolarHBondContact O-N 3.07Å; E646-F648 PolarHBondContact O-N 2.82Å; F648-L650 VanDerWaalsContact C-N 3.28Å; F648-L650 PolarHBondContact O-N 3.01Å; F648-R651 CarbonylContact O-C 3.36Å; F648-R651 PolarHBondContact O-N 3.11Å; F648-F652 HydrophobicContact CD1-CB 4.29Å; F648-F652 HydrophobicContact CE1-CB 3.79Å; F648-F652 HydrophobicContact CE1-CD2 4.14Å; F648-F652 AromaticContact CE1-CG 3.91Å; F648-F652 HydrophobicContact CE1-CG 3.95Å; F648-F652 HydrophobicContact CZ-CB 4.14Å; F648-F652 AromaticContact CZ-CD2 3.91Å; F648-F652 HydrophobicContact CZ-CD2 3.91Å; F648-F652 HydrophobicContact CZ-CG 4.17Å; F648-F652 WeakPolarHBondContact O-CB 3.2Å; F648-F652 PolarHBondContact O-N 2.98Å; F648-V710 HydrophobicContact CD1-CG1 4.3Å; F648-V710 HydrophobicContact CE1-CG1 3.3Å; F648-V710 HydrophobicContact CE2-CG1 4.33Å; F648-V710 HydrophobicContact CZ-CG1 3.26Å; F648-L712 HydrophobicContact CB-CD1 3.78Å; F648-L712 HydrophobicContact CB-CD2 4.07Å; F648-L712 HydrophobicContact CB-CG 4.44Å; F648-L712 HydrophobicContact CD1-CD1 3.54Å; F648-L712 VanDerWaalsContact CD1-CD1 3.44Å; F648-L712 HydrophobicContact CD1-CD2 4.14Å; F648-L712 HydrophobicContact CD1-CG 3.91Å; F648-L712 HydrophobicContact CD2-CD1 3.98Å; F648-L712 HydrophobicContact CD2-CG 4.21Å; F648-L712 HydrophobicContact CE1-CD1 3.8Å; F648-L712 VanDerWaalsContact CE1-CD1 3.49Å; F648-L712 HydrophobicContact CE1-CG 4.2Å; F648-L712 HydrophobicContact CE2-CD1 3.97Å; F648-L712 HydrophobicContact CE2-CG 4.38Å; F648-L712 HydrophobicContact CG-CD1 3.84Å; F648-L712 HydrophobicContact CG-CD2 4.02Å; F648-L712 HydrophobicContact CG-CG 3.94Å; F648-L712 HydrophobicContact CZ-CD1 4.13Å; F648-L712 HydrophobicContact CZ-CG 4.36Å; F648-I717 HydrophobicContact CB-CD1 4.39Å |
| 649 | F | 81.7 | Confident | 78.9 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.6 | -30.4 | -178 | -76.7 | -63.8 | 0 | 0 | 0 | 112.7 | V645 R651 F652 S653 Y663 I680 V682 V691 L712 | V645-F649 HydrophobicContact CG1-CD2 3.82Å; V645-F649 HydrophobicContact CG1-CE2 3.7Å; V645-F649 WeakPolarHBondContact O-CD2 3.43Å; V645-F649 PolarHBondContact O-N 3.16Å; V645-F649 VanDerWaalsContact O-N 3.1Å; F649-R651 VanDerWaalsContact C-N 3.32Å; F649-R651 PolarHBondContact O-N 3.15Å; F649-F652 PolarHBondContact O-N 2.85Å; F649-S653 VanDerWaalsContact O-CB 3.28Å; F649-S653 WeakPolarHBondContact O-CB 3.35Å; F649-S653 PolarHBondContact O-N 2.99Å; F649-S653 VanDerWaalsContact O-N 3.1Å; F649-S653 PolarHBondContact O-OG 2.96Å; F649-Y663 HydrophobicContact CB-CD1 4.38Å; F649-Y663 HydrophobicContact CB-CD2 3.92Å; F649-Y663 HydrophobicContact CB-CE1 4.16Å; F649-Y663 HydrophobicContact CB-CE2 3.69Å; F649-Y663 HydrophobicContact CB-CG 4.27Å; F649-Y663 HydrophobicContact CG-CE2 4.39Å; F649-I680 HydrophobicContact CD1-CD1 4.48Å; F649-I680 HydrophobicContact CD1-CG2 3.85Å; F649-I680 HydrophobicContact CE1-CG2 3.93Å; F649-V682 HydrophobicContact CD2-CG2 3.71Å; F649-V682 HydrophobicContact CE2-CG2 3.97Å; F649-V682 HydrophobicContact CG-CG2 4.06Å; F649-V691 HydrophobicContact CE1-CG1 4.04Å; F649-V691 HydrophobicContact CE2-CG2 3.81Å; F649-V691 HydrophobicContact CZ-CB 4.32Å; F649-V691 HydrophobicContact CZ-CG1 3.82Å; F649-V691 HydrophobicContact CZ-CG2 3.64Å; F649-L712 HydrophobicContact CE2-CD1 4.28Å; F649-L712 HydrophobicContact CZ-CD1 4.03Å |
| 650 | L | 80.3 | Confident | 78.5 | Confident | 73.3333 Ų | 73.3333 | 49.5 Ų | 49.5 | 38% | 0.384 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -35.4 | 170.6 | -105.1 | 157.8 | 0 | 0 | 0 | 112.7 | E646 D647 F648 Y663 | E646-L650 WeakPolarHBondContact O-CB 3.32Å; E646-L650 WeakPolarHBondContact O-CD1 3.32Å; E646-L650 VanDerWaalsContact O-CG 3.28Å; E646-L650 WeakPolarHBondContact O-CG 3.43Å; E646-L650 PolarHBondContact O-N 3.05Å; E646-L650 VanDerWaalsContact O-N 3.1Å; D647-L650 PolarHBondContact O-N 3.25Å; F648-L650 VanDerWaalsContact C-N 3.28Å; F648-L650 PolarHBondContact O-N 3.01Å; L650-Y663 HydrophobicContact CB-CE1 4.12Å; L650-Y663 HydrophobicContact CD2-CD1 4.43Å; L650-Y663 HydrophobicContact CD2-CE1 3.77Å; L650-Y663 HydrophobicContact CG-CE1 3.86Å |
| 651 | R | 78.6 | Confident | 78.7 | Confident | 186.333 Ų | 186.333 | 46.7 Ų | 46.7 | 70% | 0.703 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -82.4 | -31.5 | 176.2 | -66.4 | 176 | -165.3 | -164.8 | 7.9 | 113.5 | D647 F648 F649 | D647-R651 VanDerWaalsContact CG-NH2 3.3Å; D647-R651 VanDerWaalsContact O-CG 3.31Å; D647-R651 WeakPolarHBondContact O-CG 3.31Å; D647-R651 PolarHBondContact O-N 2.82Å; D647-R651 VanDerWaalsContact O-N 3.14Å; D647-R651 IonicContact OD1-CZ 3.05Å; D647-R651 IonicContact OD1-NE 3.69Å; D647-R651 PolarHBondContact OD1-NE 3.2Å; D647-R651 VanDerWaalsContact OD1-NE 3.1Å; D647-R651 IonicContact OD1-NH2 3.35Å; D647-R651 PolarHBondContact OD1-NH2 3.12Å; D647-R651 VanDerWaalsContact OD1-NH2 3.11Å; D647-R651 IonicContact OD2-CZ 3.49Å; D647-R651 IonicContact OD2-NE 3.23Å; D647-R651 PolarHBondContact OD2-NE 3.32Å; D647-R651 IonicContact OD2-NH1 3.28Å; D647-R651 IonicContact OD2-NH2 3.52Å; D647-R651 PolarHBondContact OD2-NH2 3.13Å; F648-R651 CarbonylContact O-C 3.36Å; F648-R651 PolarHBondContact O-N 3.11Å; F649-R651 VanDerWaalsContact C-N 3.32Å; F649-R651 PolarHBondContact O-N 3.15Å |
| 652 | F | 78.7 | Confident | 78.8 | Confident | 45.3333 Ų | 45.3333 | 46.6 Ų | 46.6 | 20% | 0.199 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78.5 | -25.5 | -177.1 | -177.7 | -99.7 | 0 | 0 | 0 | 113.2 | F648 F649 K665 I680 L707 V710 | F648-F652 HydrophobicContact CD1-CB 4.29Å; F648-F652 HydrophobicContact CE1-CB 3.79Å; F648-F652 HydrophobicContact CE1-CD2 4.14Å; F648-F652 AromaticContact CE1-CG 3.91Å; F648-F652 HydrophobicContact CE1-CG 3.95Å; F648-F652 HydrophobicContact CZ-CB 4.14Å; F648-F652 AromaticContact CZ-CD2 3.91Å; F648-F652 HydrophobicContact CZ-CD2 3.91Å; F648-F652 HydrophobicContact CZ-CG 4.17Å; F648-F652 WeakPolarHBondContact O-CB 3.2Å; F648-F652 PolarHBondContact O-N 2.98Å; F649-F652 PolarHBondContact O-N 2.85Å; F652-K665 HydrophobicContact CD1-CD 4.02Å; F652-K665 VanDerWaalsContact CD2-NZ 3.33Å; F652-K665 HydrophobicContact CE1-CD 3.62Å; F652-K665 HydrophobicContact CZ-CD 4.04Å; F652-K665 WeakPolarHBondContact O-CD 3.39Å; F652-K665 WeakPolarHBondContact O-CE 3.31Å; F652-K665 PolarHBondContact O-NZ 2.75Å; F652-I680 HydrophobicContact CD1-CD1 3.69Å; F652-I680 HydrophobicContact CE1-CD1 3.82Å; F652-L707 HydrophobicContact CZ-CD2 3.97Å; F652-V710 HydrophobicContact CZ-CG2 4.32Å |
| 653 | S | 80.6 | Confident | 79 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -89.6 | 161.5 | -179.6 | 60.7 | 0 | 0 | 0 | 0 | 113 | F649 V664 | F649-S653 VanDerWaalsContact O-CB 3.28Å; F649-S653 WeakPolarHBondContact O-CB 3.35Å; F649-S653 PolarHBondContact O-N 2.99Å; F649-S653 VanDerWaalsContact O-N 3.1Å; F649-S653 PolarHBondContact O-OG 2.96Å; S653-V664 WeakPolarHBondContact CB-O 3.26Å |
| 654 | S | 79.1 | Confident | 79.1 | Confident | 48.6667 Ų | 48.6667 | 40.4 Ų | 40.4 | 34% | 0.34 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -80.3 | -37.2 | 175.8 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | V664 F666 | S654-V664 WeakPolarHBondContact CA-O 3.5Å; S654-V664 WeakPolarHBondContact CB-O 3.37Å; S654-V664 PolarHBondContact N-O 3.33Å; S654-F666 PolarHBondContact OG-N 3.04Å |
| 655 | F | 80.9 | Confident | 79.3 | Confident | 14.3333 Ų | 14.3333 | 41.1 Ų | 41.1 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 156.4 | 171.5 | 63.2 | -84.3 | 0 | 0 | 0 | 111.1 | I533 L537 F543 F586 W590 L657 V664 F666 | I533-F655 HydrophobicContact CD1-CD1 4.39Å; I533-F655 HydrophobicContact CG1-CD1 4.4Å; L537-F655 HydrophobicContact CD1-CB 4.47Å; L537-F655 HydrophobicContact CD1-CD2 4.42Å; L537-F655 HydrophobicContact CD1-CG 4.43Å; F543-F655 HydrophobicContact CE2-CD2 4.11Å; F543-F655 HydrophobicContact CE2-CE2 4.43Å; F586-F655 AromaticContact CE1-CE2 3.94Å; F586-F655 HydrophobicContact CE1-CE2 4.01Å; F586-F655 AromaticContact CE1-CZ 3.91Å; F586-F655 HydrophobicContact CE1-CZ 4.01Å; F586-F655 HydrophobicContact CZ-CE1 4.18Å; F586-F655 HydrophobicContact CZ-CE2 4.22Å; F586-F655 AromaticContact CZ-CZ 3.74Å; F586-F655 HydrophobicContact CZ-CZ 3.74Å; W590-F655 HydrophobicContact CD2-CZ 4.38Å; F655-L657 HydrophobicContact CD2-CD2 4.33Å; F655-L657 HydrophobicContact CD2-CG 4.28Å; F655-L657 HydrophobicContact CE2-CD1 4.05Å; F655-L657 HydrophobicContact CE2-CD2 3.83Å; F655-L657 HydrophobicContact CE2-CG 3.85Å; F655-V664 HydrophobicContact CD1-CB 4.24Å; F655-V664 HydrophobicContact CD2-CB 4.46Å; F655-V664 HydrophobicContact CE1-CB 3.68Å; F655-V664 HydrophobicContact CE1-CG1 3.72Å; F655-V664 HydrophobicContact CE1-CG2 4.45Å; F655-V664 HydrophobicContact CE2-CB 3.99Å; F655-V664 HydrophobicContact CE2-CG2 3.99Å; F655-V664 HydrophobicContact CZ-CB 3.54Å; F655-V664 VanDerWaalsContact CZ-CB 3.5Å; F655-V664 HydrophobicContact CZ-CG1 3.77Å; F655-V664 HydrophobicContact CZ-CG2 3.82Å; F655-V664 PolarHBondContact N-O 3.1Å; F655-V664 PolarHBondContact O-N 3.3Å; F655-F666 HydrophobicContact CD1-CE2 4.22Å; F655-F666 HydrophobicContact CE1-CD2 4.33Å; F655-F666 HydrophobicContact CE1-CE1 4.23Å; F655-F666 AromaticContact CE1-CE2 3.57Å; F655-F666 HydrophobicContact CE1-CE2 3.72Å; F655-F666 AromaticContact CE1-CZ 3.82Å; F655-F666 HydrophobicContact CE1-CZ 3.82Å; F655-F666 HydrophobicContact CZ-CZ 4.41Å |
| 656 | S | 79.5 | Confident | 79.3 | Confident | 30.6667 Ų | 30.6667 | 41.7 Ų | 41.7 | 21% | 0.214 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.4 | 174.8 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | F543 T658 | F543-S656 WeakPolarHBondContact CB-O 3.45Å; S656-T658 WeakPolarHBondContact CB-O 3.49Å |
| 657 | L | 74.5 | Confident | 79 | Confident | 6.66667 Ų | 6.66667 | 44.8 Ų | 44.8 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -91.4 | -37.8 | 176.9 | -75.9 | 162.6 | 0 | 0 | 0 | 111 | F543 W590 I594 F655 C662 V664 | F543-L657 HydrophobicContact CD1-CD2 3.95Å; F543-L657 HydrophobicContact CD2-CD2 3.99Å; F543-L657 HydrophobicContact CE1-CD2 3.6Å; F543-L657 HydrophobicContact CE2-CD2 3.62Å; F543-L657 VanDerWaalsContact CE2-CD2 3.46Å; F543-L657 HydrophobicContact CG-CD2 4.05Å; F543-L657 HydrophobicContact CZ-CD2 3.88Å; W590-L657 HydrophobicContact CB-CD1 3.75Å; W590-L657 HydrophobicContact CB-CD2 3.74Å; W590-L657 HydrophobicContact CB-CG 4.42Å; W590-L657 HydrophobicContact CG-CD1 4.31Å; W590-L657 HydrophobicContact CG-CD2 4.42Å; I594-L657 HydrophobicContact CD1-CB 3.69Å; I594-L657 HydrophobicContact CD1-CD1 3.5Å; I594-L657 HydrophobicContact CD1-CD2 4.16Å; I594-L657 HydrophobicContact CD1-CG 4.05Å; I594-L657 HydrophobicContact CG1-CB 4.5Å; I594-L657 HydrophobicContact CG1-CD1 4.03Å; F655-L657 HydrophobicContact CD2-CD2 4.33Å; F655-L657 HydrophobicContact CD2-CG 4.28Å; F655-L657 HydrophobicContact CE2-CD1 4.05Å; F655-L657 HydrophobicContact CE2-CD2 3.83Å; F655-L657 HydrophobicContact CE2-CG 3.85Å; L657-C662 HydrophobicContact CB-CB 4.22Å; L657-C662 PolarHBondContact N-O 2.9Å; L657-V664 HydrophobicContact CD1-CG2 3.39Å; L657-V664 VanDerWaalsContact CD1-CG2 3.48Å; L657-V664 HydrophobicContact CG-CG2 4.09Å |
| 658 | T | 72.1 | Confident | 78.1 | Confident | 42.6667 Ų | 42.6667 | 48.7 Ų | 48.7 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -122.4 | 158 | 168.9 | 62.3 | 0 | 0 | 0 | 0 | 109 | S656 T660 S661 C662 | S656-T658 WeakPolarHBondContact CB-O 3.49Å; T658-T660 VanDerWaalsContact C-N 3.29Å; T658-T660 PolarHBondContact O-N 3.26Å; T658-T660 VanDerWaalsContact O-N 3.16Å; T658-S661 PolarHBondContact OG1-N 3.21Å; T658-S661 PolarHBondContact OG1-OG 3.15Å; T658-C662 HydrophobicContact CG2-CB 4.38Å; T658-C662 PolarHBondContact N-O 3.19Å; T658-C662 WeakPolarHBondContact OG1-CB 3.39Å; T658-C662 PolarHBondContact OG1-N 2.92Å |
| 659 | K | 66.1 | Low | 76.8 | Confident | 122.333 Ų | 122.333 | 49.1 Ų | 49.1 | 53% | 0.532 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -61.4 | -32.3 | -176.1 | -82 | -176.8 | 176 | 175.5 | 0 | 113.8 | ||
| 660 | T | 70.7 | Confident | 75.3 | Confident | 59.3333 Ų | 59.3333 | 58 Ų | 58 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -136.9 | -1.5 | -163.8 | 54.9 | 0 | 0 | 0 | 0 | 115.2 | E646 T658 | E646-T660 VanDerWaalsContact OE2-CG2 3.27Å; E646-T660 WeakPolarHBondContact OE2-CG2 3.47Å; T658-T660 VanDerWaalsContact C-N 3.29Å; T658-T660 PolarHBondContact O-N 3.26Å; T658-T660 VanDerWaalsContact O-N 3.16Å |
| 661 | S | 80 | Confident | 74 | Confident | 41.3333 Ų | 41.3333 | 58 Ų | 58 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -139.8 | -18.4 | -167.8 | 63.5 | 0 | 0 | 0 | 0 | 117 | T658 R681 V682 | T658-S661 PolarHBondContact OG1-N 3.21Å; T658-S661 PolarHBondContact OG1-OG 3.15Å; S661-R681 CarbonylContact O-C 3.56Å; S661-R681 WeakPolarHBondContact O-CA 3.32Å; S661-V682 PolarHBondContact O-N 2.82Å |
| 662 | C | 83.8 | Confident | 73.2 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.034 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 121.4 | -176.1 | -72.8 | 0 | 0 | 0 | 0 | 111.2 | I594 L657 T658 I680 | I594-C662 HydrophobicContact CD1-CB 3.72Å; L657-C662 HydrophobicContact CB-CB 4.22Å; L657-C662 PolarHBondContact N-O 2.9Å; T658-C662 HydrophobicContact CG2-CB 4.38Å; T658-C662 PolarHBondContact N-O 3.19Å; T658-C662 WeakPolarHBondContact OG1-CB 3.39Å; T658-C662 PolarHBondContact OG1-N 2.92Å; C662-I680 WeakPolarHBondContact CA-O 3.29Å |
| 663 | Y | 85.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 154.3 | -178.3 | -46.3 | -95.6 | 0 | 0 | 0 | 110.2 | F649 L650 I680 V682 | F649-Y663 HydrophobicContact CB-CD1 4.38Å; F649-Y663 HydrophobicContact CB-CD2 3.92Å; F649-Y663 HydrophobicContact CB-CE1 4.16Å; F649-Y663 HydrophobicContact CB-CE2 3.69Å; F649-Y663 HydrophobicContact CB-CG 4.27Å; F649-Y663 HydrophobicContact CG-CE2 4.39Å; L650-Y663 HydrophobicContact CB-CE1 4.12Å; L650-Y663 HydrophobicContact CD2-CD1 4.43Å; L650-Y663 HydrophobicContact CD2-CE1 3.77Å; L650-Y663 HydrophobicContact CG-CE1 3.86Å; Y663-I680 HydrophobicContact CD2-CG2 4.46Å; Y663-I680 PolarHBondContact N-O 3.4Å; Y663-I680 PolarHBondContact O-N 3.08Å; Y663-V682 HydrophobicContact CD2-CG2 4.05Å; Y663-V682 HydrophobicContact CE2-CB 4.4Å; Y663-V682 HydrophobicContact CE2-CG2 3.68Å |
| 664 | V | 84.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.2 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | W590 S653 S654 F655 L657 F666 F677 C678 I679 | W590-V664 HydrophobicContact CE3-CG2 4.11Å; W590-V664 HydrophobicContact CH2-CG1 4.02Å; W590-V664 HydrophobicContact CZ3-CG1 4.09Å; W590-V664 HydrophobicContact CZ3-CG2 4.13Å; S653-V664 WeakPolarHBondContact CB-O 3.26Å; S654-V664 WeakPolarHBondContact CA-O 3.5Å; S654-V664 WeakPolarHBondContact CB-O 3.37Å; S654-V664 PolarHBondContact N-O 3.33Å; F655-V664 HydrophobicContact CD1-CB 4.24Å; F655-V664 HydrophobicContact CD2-CB 4.46Å; F655-V664 HydrophobicContact CE1-CB 3.68Å; F655-V664 HydrophobicContact CE1-CG1 3.72Å; F655-V664 HydrophobicContact CE1-CG2 4.45Å; F655-V664 HydrophobicContact CE2-CB 3.99Å; F655-V664 HydrophobicContact CE2-CG2 3.99Å; F655-V664 HydrophobicContact CZ-CB 3.54Å; F655-V664 VanDerWaalsContact CZ-CB 3.5Å; F655-V664 HydrophobicContact CZ-CG1 3.77Å; F655-V664 HydrophobicContact CZ-CG2 3.82Å; F655-V664 PolarHBondContact N-O 3.1Å; F655-V664 PolarHBondContact O-N 3.3Å; L657-V664 HydrophobicContact CD1-CG2 3.39Å; L657-V664 VanDerWaalsContact CD1-CG2 3.48Å; L657-V664 HydrophobicContact CG-CG2 4.09Å; V664-F666 HydrophobicContact CG1-CD1 3.96Å; V664-F666 HydrophobicContact CG1-CE1 4.06Å; V664-F677 HydrophobicContact CG1-CB 4.47Å; V664-C678 WeakPolarHBondContact CA-O 3.28Å; V664-I679 HydrophobicContact CG2-CG1 4.39Å |
| 665 | K | 83.8 | Confident | 71.3 | Confident | 36.6667 Ų | 36.6667 | 57.8 Ų | 57.8 | 16% | 0.159 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.4 | 174.6 | -174 | 171.6 | -174 | 162.7 | 0 | 109.7 | F652 F677 C678 I680 L707 | F652-K665 HydrophobicContact CD1-CD 4.02Å; F652-K665 VanDerWaalsContact CD2-NZ 3.33Å; F652-K665 HydrophobicContact CE1-CD 3.62Å; F652-K665 HydrophobicContact CZ-CD 4.04Å; F652-K665 WeakPolarHBondContact O-CD 3.39Å; F652-K665 WeakPolarHBondContact O-CE 3.31Å; F652-K665 PolarHBondContact O-NZ 2.75Å; K665-F677 CarbonylContact O-C 3.39Å; K665-F677 WeakPolarHBondContact O-CA 3.27Å; K665-C678 PolarHBondContact N-O 3.16Å; K665-C678 PolarHBondContact O-N 2.96Å; K665-I680 HydrophobicContact CB-CD1 4.31Å; K665-L707 HydrophobicContact CD-CD2 4.06Å; K665-L707 VanDerWaalsContact NZ-CD2 3.26Å |
| 666 | F | 81.6 | Confident | 71 | Confident | 14.3333 Ų | 14.3333 | 57.1 Ų | 57.1 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 149.2 | 168.7 | -69.8 | -42.3 | 0 | 0 | 0 | 110.6 | M531 I533 W590 S654 F655 V664 T668 A674 F677 | M531-F666 HydrophobicContact SD-CE1 4.06Å; I533-F666 HydrophobicContact CD1-CD2 3.98Å; I533-F666 HydrophobicContact CD1-CE2 4.31Å; I533-F666 HydrophobicContact CG1-CD2 3.68Å; I533-F666 HydrophobicContact CG1-CE2 3.53Å; W590-F666 AromaticContact CH2-CE1 3.99Å; W590-F666 HydrophobicContact CH2-CE1 4.14Å; W590-F666 AromaticContact CZ2-CE1 3.77Å; W590-F666 HydrophobicContact CZ2-CE1 3.93Å; W590-F666 AromaticContact CZ2-CZ 3.95Å; W590-F666 HydrophobicContact CZ2-CZ 3.95Å; S654-F666 PolarHBondContact OG-N 3.04Å; F655-F666 HydrophobicContact CD1-CE2 4.22Å; F655-F666 HydrophobicContact CE1-CD2 4.33Å; F655-F666 HydrophobicContact CE1-CE1 4.23Å; F655-F666 AromaticContact CE1-CE2 3.57Å; F655-F666 HydrophobicContact CE1-CE2 3.72Å; F655-F666 AromaticContact CE1-CZ 3.82Å; F655-F666 HydrophobicContact CE1-CZ 3.82Å; F655-F666 HydrophobicContact CZ-CZ 4.41Å; V664-F666 HydrophobicContact CG1-CD1 3.96Å; V664-F666 HydrophobicContact CG1-CE1 4.06Å; F666-T668 PolarHBondContact O-N 3Å; F666-A674 HydrophobicContact CB-CB 3.92Å; F666-A674 HydrophobicContact CD1-CB 4.06Å; F666-A674 HydrophobicContact CD2-CB 4.13Å; F666-A674 HydrophobicContact CE1-CB 4.41Å; F666-A674 HydrophobicContact CG-CB 3.95Å; F666-F677 HydrophobicContact CD1-CB 3.61Å; F666-F677 HydrophobicContact CE1-CB 3.76Å |
| 667 | R | 75.3 | Confident | 71.2 | Confident | 99 Ų | 99 | 55.9 Ų | 55.9 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | trans | -65.1 | 120.8 | 174.1 | -169.7 | 175.1 | 73.5 | 158.5 | 2.2 | 109.1 | G669 A676 F699 E703 | R667-G669 PolarHBondContact O-N 2.91Å; R667-G669 VanDerWaalsContact O-N 3.09Å; R667-A676 HydrophobicContact CB-CB 4.14Å; R667-A676 PolarHBondContact N-O 2.83Å; R667-F699 HydrophobicContact CB-CE1 4.42Å; R667-F699 HydrophobicContact CB-CZ 4.11Å; R667-F699 HydrophobicContact CG-CE1 4.39Å; R667-F699 HydrophobicContact CG-CZ 4.5Å; R667-E703 WeakPolarHBondContact CD-OE1 3.38Å; R667-E703 IonicContact CZ-OE1 3.78Å; R667-E703 IonicContact NH1-OE1 3.71Å; R667-E703 PolarHBondContact NH1-OE1 3.35Å; R667-E703 IonicContact NH1-OE2 2.73Å | ||
| 668 | T | 60.7 | Low | 71.6 | Confident | 134 Ų | 134 | 55.8 Ų | 55.8 | 82% | 0.822 | 32% | 0.315 | S | S | * | . | trans | -70.4 | 106.3 | 178.4 | 38 | 0 | 0 | 0 | 0 | 110.4 | F666 | F666-T668 PolarHBondContact O-N 3Š| ||
| 669 | G | 55.9 | Low | 72.2 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | trans | -155.7 | 154.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | R667 S671 | R667-G669 PolarHBondContact O-N 2.91Å; R667-G669 VanDerWaalsContact O-N 3.09Å; G669-S671 PolarHBondContact O-N 3.11Å | ||
| 670 | D | 48.4 | Very low | 73.2 | Confident | 187 Ų | 187 | 48.3 Ų | 48.3 | 100% | 1 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -68.7 | 14.6 | -168.8 | -59.9 | -37.3 | 0 | 0 | 0 | 115.8 | ||
| 671 | S | 54.4 | Low | 74 | Confident | 74.3333 Ų | 74.3333 | 49.3 Ų | 49.3 | 52% | 0.52 | 28% | 0.276 | S | S | . | . | trans | -113.7 | 106.4 | -177.8 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | G669 P673 | G669-S671 PolarHBondContact O-N 3.11Å; S671-P673 CarbonylContact O-C 3.47Å; S671-P673 VanDerWaalsContact O-C 3.29Å; S671-P673 VanDerWaalsContact O-O 3.07Å | ||
| 672 | E | 61.8 | Low | 74.2 | Confident | 126 Ų | 126 | 47.6 Ų | 47.6 | 59% | 0.589 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -82.1 | 129.9 | 156.9 | -70 | -167.2 | 160.8 | 0 | 0 | 108.4 | K538 | K538-E672 IonicContact NZ-OE1 2.69Å; K538-E672 PolarHBondContact NZ-OE1 3.26Å; K538-E672 IonicContact NZ-OE2 3.78Å |
| 673 | P | 61.2 | Low | 74.3 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | S | Bend | cis | -80.5 | 156.8 | 3.3 | 33 | -35.7 | 0 | 0 | 0 | 114.2 | M531 S671 N675 | M531-P673 HydrophobicContact CB-CB 3.78Å; S671-P673 CarbonylContact O-C 3.47Å; S671-P673 VanDerWaalsContact O-C 3.29Å; S671-P673 VanDerWaalsContact O-O 3.07Å; P673-N675 PolarHBondContact O-OD1 2.75Å |
| 674 | A | 67.2 | Low | 74.1 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 134.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M531 F666 A676 | M531-A674 WeakPolarHBondContact CB-O 3.29Å; M531-A674 WeakPolarHBondContact CG-O 3.48Å; M531-A674 PolarHBondContact O-N 3.38Å; M531-A674 VanDerWaalsContact O-N 3.1Å; F666-A674 HydrophobicContact CB-CB 3.92Å; F666-A674 HydrophobicContact CD1-CB 4.06Å; F666-A674 HydrophobicContact CD2-CB 4.13Å; F666-A674 HydrophobicContact CE1-CB 4.41Å; F666-A674 HydrophobicContact CG-CB 3.95Å; A674-A676 VanDerWaalsContact C-N 3.34Å; A674-A676 PolarHBondContact O-N 2.91Å |
| 675 | N | 69.9 | Low | 73.9 | Confident | 103 Ų | 103 | 56 Ų | 56 | 55% | 0.551 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -83.6 | -11.7 | -178.9 | -66.2 | -8.3 | 0 | 0 | 0 | 114.2 | P673 S698 | P673-N675 PolarHBondContact O-OD1 2.75Å; N675-S698 PolarHBondContact O-OG 2.99Å; N675-S698 VanDerWaalsContact O-OG 3.08Å |
| 676 | A | 74.5 | Confident | 73.6 | Confident | 0.666667 Ų | 0.666667 | 57.9 Ų | 57.9 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | trans | -155.4 | 147.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R667 A674 S698 F699 | R667-A676 HydrophobicContact CB-CB 4.14Å; R667-A676 PolarHBondContact N-O 2.83Å; A674-A676 VanDerWaalsContact C-N 3.34Å; A674-A676 PolarHBondContact O-N 2.91Å; A676-S698 WeakPolarHBondContact CB-OG 3.34Å; A676-F699 HydrophobicContact CB-CD2 3.88Å; A676-F699 HydrophobicContact CB-CE2 3.51Å; A676-F699 VanDerWaalsContact CB-CE2 3.49Å; A676-F699 HydrophobicContact CB-CZ 3.96Å | ||
| 677 | F | 82.6 | Confident | 73.4 | Confident | 5.33333 Ų | 5.33333 | 57.3 Ų | 57.3 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.6 | 179.3 | 67.7 | -86 | 0 | 0 | 0 | 112.8 | L521 L524 M531 W590 F605 V664 K665 F666 I679 S696 F699 | L521-F677 HydrophobicContact CD2-CZ 4.41Å; L524-F677 HydrophobicContact CD1-CE1 3.62Å; L524-F677 HydrophobicContact CD1-CZ 3.79Å; M531-F677 HydrophobicContact CE-CD1 3.67Å; M531-F677 HydrophobicContact CE-CE1 3.88Å; M531-F677 HydrophobicContact SD-CD1 4.07Å; W590-F677 HydrophobicContact CH2-CB 4.24Å; W590-F677 HydrophobicContact CH2-CD1 4.28Å; W590-F677 AromaticContact CH2-CD2 3.55Å; W590-F677 HydrophobicContact CH2-CD2 3.55Å; W590-F677 HydrophobicContact CH2-CE1 4.49Å; W590-F677 AromaticContact CH2-CE2 3.88Å; W590-F677 HydrophobicContact CH2-CE2 3.88Å; W590-F677 AromaticContact CH2-CG 3.76Å; W590-F677 HydrophobicContact CH2-CG 3.76Å; W590-F677 HydrophobicContact CH2-CZ 4.37Å; W590-F677 AromaticContact CZ3-CD2 3.72Å; W590-F677 HydrophobicContact CZ3-CD2 3.72Å; W590-F677 AromaticContact CZ3-CE2 3.81Å; W590-F677 HydrophobicContact CZ3-CE2 3.81Å; W590-F677 HydrophobicContact CZ3-CG 4.39Å; W590-F677 HydrophobicContact CZ3-CZ 4.48Å; F605-F677 AromaticContact CE1-CE2 3.69Å; F605-F677 HydrophobicContact CE1-CE2 3.69Å; F605-F677 AromaticContact CE1-CZ 3.68Å; F605-F677 HydrophobicContact CE1-CZ 3.68Å; F605-F677 HydrophobicContact CZ-CE2 4.14Å; F605-F677 HydrophobicContact CZ-CZ 4.25Å; V664-F677 HydrophobicContact CG1-CB 4.47Å; K665-F677 CarbonylContact O-C 3.39Å; K665-F677 WeakPolarHBondContact O-CA 3.27Å; F666-F677 HydrophobicContact CD1-CB 3.61Å; F666-F677 HydrophobicContact CE1-CB 3.76Å; F677-I679 HydrophobicContact CD2-CG1 4.01Å; F677-I679 HydrophobicContact CE2-CD1 4.05Å; F677-I679 HydrophobicContact CE2-CG1 4.01Å; F677-S696 PolarHBondContact N-OG 3.05Å; F677-S696 VanDerWaalsContact N-OG 3.17Å; F677-S696 WeakPolarHBondContact O-CB 3.38Å; F677-S696 PolarHBondContact O-N 2.95Å; F677-S696 VanDerWaalsContact O-N 3.07Å; F677-S696 PolarHBondContact O-OG 2.9Å; F677-F699 VanDerWaalsContact O-CE2 3.32Å; F677-F699 WeakPolarHBondContact O-CE2 3.35Å |
| 678 | C | 83.7 | Confident | 73.8 | Confident | 4.33333 Ų | 4.33333 | 52.9 Ų | 52.9 | 3% | 0.029 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127 | 173.5 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | V664 K665 N694 F695 | V664-C678 WeakPolarHBondContact CA-O 3.28Å; K665-C678 PolarHBondContact N-O 3.16Å; K665-C678 PolarHBondContact O-N 2.96Å; C678-N694 CarbonylContact C-O 3.41Å; C678-N694 WeakPolarHBondContact CA-O 3.38Å; C678-F695 HydrophobicContact CB-CD1 3.93Å; C678-F695 HydrophobicContact CB-CE1 4.18Å |
| 679 | I | 85.5 | Confident | 74.9 | Confident | 6.66667 Ų | 6.66667 | 46.5 Ų | 46.5 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.1 | 171.9 | -52.9 | 173.4 | 0 | 0 | 0 | 108.2 | W590 L593 I594 F605 V664 F677 N694 | W590-I679 HydrophobicContact CE3-CD1 4.47Å; W590-I679 HydrophobicContact CZ3-CD1 4.13Å; W590-I679 HydrophobicContact CZ3-CG1 4.11Å; L593-I679 HydrophobicContact CB-CD1 4.38Å; L593-I679 HydrophobicContact CD1-CD1 4.44Å; I594-I679 HydrophobicContact CG1-CG2 4.42Å; F605-I679 HydrophobicContact CE2-CD1 4.34Å; F605-I679 HydrophobicContact CZ-CD1 4.16Å; V664-I679 HydrophobicContact CG2-CG1 4.39Å; F677-I679 HydrophobicContact CD2-CG1 4.01Å; F677-I679 HydrophobicContact CE2-CD1 4.05Å; F677-I679 HydrophobicContact CE2-CG1 4.01Å; I679-N694 HydrophobicContact CB-CB 4.16Å; I679-N694 PolarHBondContact N-O 3.23Å; I679-N694 PolarHBondContact O-N 3.14Å; I679-N694 PolarHBondContact O-ND2 3.27Å |
| 680 | I | 86.6 | Confident | 76.2 | Confident | 0.333333 Ų | 0.333333 | 44.5 Ų | 44.5 | 0% | 0.002 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 111.8 | 178.3 | -51 | 178.2 | 0 | 0 | 0 | 107.5 | F649 F652 C662 Y663 K665 V682 V691 L693 | F649-I680 HydrophobicContact CD1-CD1 4.48Å; F649-I680 HydrophobicContact CD1-CG2 3.85Å; F649-I680 HydrophobicContact CE1-CG2 3.93Å; F652-I680 HydrophobicContact CD1-CD1 3.69Å; F652-I680 HydrophobicContact CE1-CD1 3.82Å; C662-I680 WeakPolarHBondContact CA-O 3.29Å; Y663-I680 HydrophobicContact CD2-CG2 4.46Å; Y663-I680 PolarHBondContact N-O 3.4Å; Y663-I680 PolarHBondContact O-N 3.08Å; K665-I680 HydrophobicContact CB-CD1 4.31Å; I680-V682 HydrophobicContact CG2-CG2 4.32Å; I680-V691 HydrophobicContact CG2-CG1 3.73Å; I680-L693 HydrophobicContact CB-CD2 4.16Å; I680-L693 HydrophobicContact CD1-CD2 4.34Å; I680-L693 HydrophobicContact CG1-CD2 3.73Å; I680-L693 HydrophobicContact CG2-CD2 3.89Å |
| 681 | R | 86.4 | Confident | 78 | Confident | 80 Ų | 80 | 35.6 Ų | 35.6 | 30% | 0.302 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.4 | 173.3 | -179.7 | 178.2 | -179.5 | 172.9 | 1.1 | 109.4 | R601 S661 I683 V691 E692 | R601-R681 VanDerWaalsContact CZ-NH1 3.34Å; R601-R681 VanDerWaalsContact NH1-NH1 3.14Å; S661-R681 CarbonylContact O-C 3.56Å; S661-R681 WeakPolarHBondContact O-CA 3.32Å; R681-I683 HydrophobicContact CG-CG1 4.36Å; R681-V691 CarbonylContact O-C 3.52Å; R681-V691 WeakPolarHBondContact O-CA 3.24Å; R681-E692 HydrophobicContact CB-CB 4.31Å; R681-E692 PolarHBondContact N-O 2.93Å; R681-E692 PolarHBondContact O-N 3.26Å |
| 682 | V | 85.6 | Confident | 79.4 | Confident | 6.33333 Ų | 6.33333 | 32.2 Ų | 32.2 | 4% | 0.038 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 122.4 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | F649 S661 Y663 I680 M684 V689 V691 | F649-V682 HydrophobicContact CD2-CG2 3.71Å; F649-V682 HydrophobicContact CE2-CG2 3.97Å; F649-V682 HydrophobicContact CG-CG2 4.06Å; S661-V682 PolarHBondContact O-N 2.82Å; Y663-V682 HydrophobicContact CD2-CG2 4.05Å; Y663-V682 HydrophobicContact CE2-CB 4.4Å; Y663-V682 HydrophobicContact CE2-CG2 3.68Å; I680-V682 HydrophobicContact CG2-CG2 4.32Å; V682-M684 HydrophobicContact CG1-CG 3.99Å; V682-M684 HydrophobicContact CG1-SD 3.61Å; V682-M684 VanDerWaalsContact CG1-SD 3.55Å; V682-V689 HydrophobicContact CG1-CG1 3.69Å; V682-V691 HydrophobicContact CG1-CG2 4.42Å; V682-V691 HydrophobicContact CG2-CG2 4.33Å |
| 683 | I | 85.1 | Confident | 80.5 | Confident | 46 Ų | 46 | 26.3 Ų | 26.3 | 24% | 0.236 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 108 | 174.4 | -55.7 | 173.2 | 0 | 0 | 0 | 106.3 | R681 E685 V689 T690 | R681-I683 HydrophobicContact CG-CG1 4.36Å; I683-E685 HydrophobicContact CG2-CG 4.36Å; I683-V689 WeakPolarHBondContact O-CA 3.33Å; I683-T690 PolarHBondContact N-O 3.33Å; I683-T690 PolarHBondContact O-N 2.89Å |
| 684 | M | 81.2 | Confident | 81.6 | Confident | 42.3333 Ų | 42.3333 | 24.1 Ų | 24.1 | 21% | 0.209 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 104 | 179.2 | -59 | -67.7 | -77.7 | 0 | 0 | 108.9 | L614 R642 V682 V689 | L614-M684 HydrophobicContact CD1-CE 4.22Å; R642-M684 HydrophobicContact CB-CE 4.08Å; R642-M684 HydrophobicContact CG-CE 3.64Å; R642-M684 VanDerWaalsContact CG-CE 3.47Å; V682-M684 HydrophobicContact CG1-CG 3.99Å; V682-M684 HydrophobicContact CG1-SD 3.61Å; V682-M684 VanDerWaalsContact CG1-SD 3.55Å; M684-V689 HydrophobicContact CE-CG2 3.72Å; M684-V689 HydrophobicContact SD-CB 3.98Å; M684-V689 HydrophobicContact SD-CG1 3.42Å; M684-V689 WeakPolarHBondContact SD-CG1 3.34Å; M684-V689 HydrophobicContact SD-CG2 3.36Å; M684-V689 WeakPolarHBondContact SD-CG2 3.29Å |
| 685 | E | 81.1 | Confident | 82.2 | Confident | 93 Ų | 93 | 23.4 Ų | 23.4 | 44% | 0.435 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 72.7 | 169 | -73.6 | -174.2 | -172.2 | 0 | 0 | 107.8 | I683 L688 R759 | I683-E685 HydrophobicContact CG2-CG 4.36Å; E685-L688 CarbonylContact C-O 3.52Å; E685-L688 WeakPolarHBondContact CA-O 3.39Å; E685-L688 PolarHBondContact N-O 2.8Å; E685-L688 CarbonylContact O-C 3.56Å; E685-L688 WeakPolarHBondContact O-CA 3.29Å; E685-L688 WeakPolarHBondContact O-CB 3.32Å; E685-L688 PolarHBondContact O-N 3.02Å; E685-L688 VanDerWaalsContact O-O 3.11Å; E685-R759 IonicContact OE2-CZ 3.88Å; E685-R759 VanDerWaalsContact OE2-CZ 3.25Å; E685-R759 IonicContact OE2-NH1 3.67Å; E685-R759 PolarHBondContact OE2-NH1 3.09Å; E685-R759 IonicContact OE2-NH2 3.52Å; E685-R759 PolarHBondContact OE2-NH2 3.11Å |
| 686 | E | 76.2 | Confident | 82.5 | Confident | 77 Ų | 77 | 19 Ų | 19 | 36% | 0.36 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 133.5 | -168.7 | -72.7 | 165 | -162.7 | 0 | 0 | 113.6 | L614 R642 | L614-E686 HydrophobicContact CD1-CG 4.09Å; R642-E686 WeakPolarHBondContact CD-OE1 3.43Å; R642-E686 VanDerWaalsContact CG-OE1 3.29Å; R642-E686 WeakPolarHBondContact CG-OE1 3.28Å; R642-E686 IonicContact CZ-OE1 2.99Å; R642-E686 IonicContact NE-OE1 3.27Å; R642-E686 PolarHBondContact NE-OE1 2.96Å; R642-E686 IonicContact NH1-OE1 3.13Å; R642-E686 PolarHBondContact NH1-OE1 3.29Å; R642-E686 IonicContact NH1-OE2 3.17Å; R642-E686 IonicContact NH2-OE1 3.66Å |
| 687 | P | 78.5 | Confident | 82.2 | Confident | 2.33333 Ų | 2.33333 | 24.2 Ų | 24.2 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.2 | 5.2 | 2.1 | 34.4 | -38.5 | 0 | 0 | 0 | 115.9 | L614 F638 V830 I831 | L614-P687 HydrophobicContact CB-CB 4.28Å; L614-P687 WeakPolarHBondContact CG-O 3.4Å; L614-P687 PolarHBondContact N-O 3.01Å; F638-P687 HydrophobicContact CD1-CB 3.83Å; F638-P687 HydrophobicContact CD2-CB 4.01Å; F638-P687 HydrophobicContact CE1-CB 3.55Å; F638-P687 HydrophobicContact CE1-CG 4.33Å; F638-P687 HydrophobicContact CE2-CB 3.74Å; F638-P687 HydrophobicContact CE2-CG 4.13Å; F638-P687 HydrophobicContact CG-CB 4.07Å; F638-P687 HydrophobicContact CZ-CB 3.52Å; F638-P687 HydrophobicContact CZ-CG 3.89Å; P687-V830 HydrophobicContact CG-CG1 4.48Å; P687-V830 WeakPolarHBondContact CG-O 3.33Å; P687-I831 WeakPolarHBondContact CD-O 3.28Å; P687-I831 VanDerWaalsContact CG-C 3.41Å; P687-I831 WeakPolarHBondContact CG-O 3.33Å |
| 688 | L | 82.9 | Confident | 81.5 | Confident | 5.66667 Ų | 5.66667 | 26.6 Ų | 26.6 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.5 | -179.6 | -94.7 | 138.8 | 0 | 0 | 0 | 111.5 | V613 E685 L753 D754 A757 I831 | V613-L688 HydrophobicContact CG2-CD1 4.04Å; V613-L688 HydrophobicContact CG2-CD2 3.9Å; E685-L688 CarbonylContact C-O 3.52Å; E685-L688 WeakPolarHBondContact CA-O 3.39Å; E685-L688 PolarHBondContact N-O 2.8Å; E685-L688 CarbonylContact O-C 3.56Å; E685-L688 WeakPolarHBondContact O-CA 3.29Å; E685-L688 WeakPolarHBondContact O-CB 3.32Å; E685-L688 PolarHBondContact O-N 3.02Å; E685-L688 VanDerWaalsContact O-O 3.11Å; L688-L753 HydrophobicContact CD1-CB 3.98Å; L688-L753 HydrophobicContact CD1-CD1 3.53Å; L688-L753 HydrophobicContact CD1-CG 4.21Å; L688-L753 HydrophobicContact CD2-CB 3.86Å; L688-L753 HydrophobicContact CD2-CD1 3.54Å; L688-L753 HydrophobicContact CD2-CG 4.37Å; L688-L753 HydrophobicContact CG-CB 4.37Å; L688-D754 HydrophobicContact CD2-CB 4.5Å; L688-A757 HydrophobicContact CD1-CB 3.9Å; L688-I831 HydrophobicContact CD2-CB 4.19Å; L688-I831 HydrophobicContact CD2-CG2 4.22Å; L688-I831 HydrophobicContact CG-CB 4.45Å |
| 689 | V | 84.5 | Confident | 80.7 | Confident | 0.666667 Ų | 0.666667 | 27 Ų | 27 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 113 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | F612 L614 V645 V682 I683 M684 V691 | F612-V689 HydrophobicContact CB-CB 4.24Å; F612-V689 PolarHBondContact N-O 2.98Å; F612-V689 PolarHBondContact O-N 3.06Å; L614-V689 HydrophobicContact CD1-CG2 4.07Å; L614-V689 HydrophobicContact CD2-CG2 3.83Å; L614-V689 HydrophobicContact CG-CG2 3.79Å; V645-V689 HydrophobicContact CG1-CG1 4.41Å; V682-V689 HydrophobicContact CG1-CG1 3.69Å; I683-V689 WeakPolarHBondContact O-CA 3.33Å; M684-V689 HydrophobicContact CE-CG2 3.72Å; M684-V689 HydrophobicContact SD-CB 3.98Å; M684-V689 HydrophobicContact SD-CG1 3.42Å; M684-V689 WeakPolarHBondContact SD-CG1 3.34Å; M684-V689 HydrophobicContact SD-CG2 3.36Å; M684-V689 WeakPolarHBondContact SD-CG2 3.29Å; V689-V691 HydrophobicContact CG1-CG2 4.09Å |
| 690 | T | 83.4 | Confident | 79.8 | Confident | 10.6667 Ų | 10.6667 | 33.1 Ų | 33.1 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.2 | 174.4 | -56.3 | 0 | 0 | 0 | 0 | 109.6 | L610 N611 I683 | L610-T690 WeakPolarHBondContact O-CA 3.45Å; N611-T690 WeakPolarHBondContact OD1-CG2 3.11Å; N611-T690 PolarHBondContact OD1-OG1 2.9Å; I683-T690 PolarHBondContact N-O 3.33Å; I683-T690 PolarHBondContact O-N 2.89Å |
| 691 | V | 84.7 | Confident | 78.7 | Confident | 0.666667 Ų | 0.666667 | 38.8 Ų | 38.8 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.7 | 177.3 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | R609 L610 F612 F649 I680 R681 V682 V689 L693 | R609-V691 WeakPolarHBondContact CA-O 3.39Å; L610-V691 HydrophobicContact CB-CB 4.41Å; L610-V691 PolarHBondContact N-O 3.04Å; L610-V691 PolarHBondContact O-N 3.2Å; F612-V691 HydrophobicContact CD2-CG2 3.8Å; F612-V691 HydrophobicContact CE2-CB 4.05Å; F612-V691 HydrophobicContact CE2-CG2 3.62Å; F649-V691 HydrophobicContact CE1-CG1 4.04Å; F649-V691 HydrophobicContact CE2-CG2 3.81Å; F649-V691 HydrophobicContact CZ-CB 4.32Å; F649-V691 HydrophobicContact CZ-CG1 3.82Å; F649-V691 HydrophobicContact CZ-CG2 3.64Å; I680-V691 HydrophobicContact CG2-CG1 3.73Å; R681-V691 CarbonylContact O-C 3.52Å; R681-V691 WeakPolarHBondContact O-CA 3.24Å; V682-V691 HydrophobicContact CG1-CG2 4.42Å; V682-V691 HydrophobicContact CG2-CG2 4.33Å; V689-V691 HydrophobicContact CG1-CG2 4.09Å; V691-L693 HydrophobicContact CG1-CD2 4.04Å; V691-L693 HydrophobicContact CG1-CG 4.45Å |
| 692 | E | 85.4 | Confident | 77.4 | Confident | 2.66667 Ų | 2.66667 | 41.7 Ų | 41.7 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 109.3 | 179.5 | -172.5 | 179.3 | 168.8 | 0 | 0 | 109.2 | R601 V607 D608 R609 R681 N694 | R601-E692 IonicContact CZ-OE1 3.19Å; R601-E692 VanDerWaalsContact CZ-OE1 3.25Å; R601-E692 IonicContact CZ-OE2 2.84Å; R601-E692 IonicContact NE-OE1 2.64Å; R601-E692 PolarHBondContact NE-OE1 3.35Å; R601-E692 VanDerWaalsContact NH1-CD 3.25Å; R601-E692 IonicContact NH1-OE1 2.84Å; R601-E692 IonicContact NH1-OE2 3.32Å; R601-E692 PolarHBondContact NH1-OE2 3.39Å; R601-E692 IonicContact NH2-OE1 2.96Å; R601-E692 PolarHBondContact NH2-OE1 3.18Å; R601-E692 IonicContact NH2-OE2 3.5Å; R601-E692 PolarHBondContact NH2-OE2 3.08Å; V607-E692 HydrophobicContact CG1-CG 3.4Å; V607-E692 VanDerWaalsContact CG1-CG 3.43Å; V607-E692 WeakPolarHBondContact CG1-OE1 3.35Å; D608-E692 CarbonylContact O-C 3.57Å; D608-E692 WeakPolarHBondContact O-CA 3.38Å; R609-E692 HydrophobicContact CG-CB 4.43Å; R609-E692 HydrophobicContact CG-CG 4.29Å; R609-E692 IonicContact CZ-OE2 3.25Å; R609-E692 IonicContact NE-OE2 3.72Å; R609-E692 PolarHBondContact NE-OE2 2.9Å; R609-E692 IonicContact NH2-OE2 2.7Å; R609-E692 PolarHBondContact NH2-OE2 3.24Å; R681-E692 HydrophobicContact CB-CB 4.31Å; R681-E692 PolarHBondContact N-O 2.93Å; R681-E692 PolarHBondContact O-N 3.26Å; E692-N694 PolarHBondContact O-ND2 3.17Å |
| 693 | L | 84.8 | Confident | 76.3 | Confident | 3.33333 Ų | 3.33333 | 44.1 Ų | 44.1 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 110.8 | 178 | -58.5 | 177.6 | 0 | 0 | 0 | 109.1 | V607 D608 L610 I680 V691 F695 | V607-L693 CarbonylContact C-O 3.48Å; V607-L693 WeakPolarHBondContact CA-O 3.29Å; D608-L693 HydrophobicContact CB-CB 4.33Å; D608-L693 PolarHBondContact N-O 3.43Å; D608-L693 PolarHBondContact O-N 3.06Å; L610-L693 HydrophobicContact CD1-CD1 3.93Å; I680-L693 HydrophobicContact CB-CD2 4.16Å; I680-L693 HydrophobicContact CD1-CD2 4.34Å; I680-L693 HydrophobicContact CG1-CD2 3.73Å; I680-L693 HydrophobicContact CG2-CD2 3.89Å; V691-L693 HydrophobicContact CG1-CD2 4.04Å; V691-L693 HydrophobicContact CG1-CG 4.45Å; L693-F695 HydrophobicContact CB-CD2 4.37Å; L693-F695 HydrophobicContact CB-CE2 3.63Å; L693-F695 HydrophobicContact CB-CZ 3.89Å; L693-F695 HydrophobicContact CD1-CE2 4.36Å; L693-F695 HydrophobicContact CD1-CZ 4.03Å |
| 694 | N | 83.6 | Confident | 75.4 | Confident | 0.333333 Ų | 0.333333 | 44 Ų | 44 | 0% | 0.002 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 100 | -179.1 | -51.5 | -98.1 | 0 | 0 | 0 | 108.9 | R601 F605 H606 V607 C678 I679 E692 | R601-N694 WeakPolarHBondContact CD-OD1 3.49Å; F605-N694 HydrophobicContact CB-CB 3.8Å; F605-N694 HydrophobicContact CD2-CB 4.04Å; F605-N694 HydrophobicContact CG-CB 3.9Å; H606-N694 CarbonylContact O-C 3.57Å; H606-N694 WeakPolarHBondContact O-CA 3.14Å; V607-N694 WeakPolarHBondContact CG2-OD1 3.45Å; C678-N694 CarbonylContact C-O 3.41Å; C678-N694 WeakPolarHBondContact CA-O 3.38Å; I679-N694 HydrophobicContact CB-CB 4.16Å; I679-N694 PolarHBondContact N-O 3.23Å; I679-N694 PolarHBondContact O-N 3.14Å; I679-N694 PolarHBondContact O-ND2 3.27Å; E692-N694 PolarHBondContact O-ND2 3.17Å |
| 695 | F | 79.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 135.7 | -179.4 | -58.3 | -86.7 | 0 | 0 | 0 | 111.7 | F605 H606 D608 C678 L693 F699 R704 L707 | F605-F695 WeakPolarHBondContact CA-O 3.23Å; F605-F695 WeakPolarHBondContact CB-O 3.37Å; F605-F695 WeakPolarHBondContact CD1-O 3.36Å; H606-F695 HydrophobicContact CB-CB 4.25Å; H606-F695 PolarHBondContact N-O 2.83Å; H606-F695 VanDerWaalsContact N-O 3.07Å; H606-F695 WeakPolarHBondContact O-CD2 3.3Å; H606-F695 PolarHBondContact O-N 3.17Å; D608-F695 HydrophobicContact CB-CE2 4Å; D608-F695 VanDerWaalsContact OD2-CE2 3.23Å; D608-F695 WeakPolarHBondContact OD2-CE2 3.25Å; C678-F695 HydrophobicContact CB-CD1 3.93Å; C678-F695 HydrophobicContact CB-CE1 4.18Å; L693-F695 HydrophobicContact CB-CD2 4.37Å; L693-F695 HydrophobicContact CB-CE2 3.63Å; L693-F695 HydrophobicContact CB-CZ 3.89Å; L693-F695 HydrophobicContact CD1-CE2 4.36Å; L693-F695 HydrophobicContact CD1-CZ 4.03Å; F695-F699 HydrophobicContact CB-CB 4.26Å; F695-F699 HydrophobicContact CB-CD2 4.04Å; F695-F699 HydrophobicContact CB-CG 4.33Å; F695-F699 HydrophobicContact CD1-CB 4.41Å; F695-F699 HydrophobicContact CD1-CD1 4.22Å; F695-F699 AromaticContact CD1-CD2 3.95Å; F695-F699 HydrophobicContact CD1-CD2 4Å; F695-F699 HydrophobicContact CD1-CE1 4.49Å; F695-F699 HydrophobicContact CD1-CE2 4.3Å; F695-F699 AromaticContact CD1-CG 3.93Å; F695-F699 HydrophobicContact CD1-CG 3.95Å; F695-R704 HydrophobicContact CB-CG 4.4Å; F695-R704 HydrophobicContact CD1-CG 3.89Å; F695-R704 HydrophobicContact CD2-CG 3.92Å; F695-R704 HydrophobicContact CE1-CB 4.45Å; F695-R704 HydrophobicContact CE1-CG 4.05Å; F695-R704 HydrophobicContact CE2-CB 4.28Å; F695-R704 HydrophobicContact CE2-CG 4.09Å; F695-R704 HydrophobicContact CG-CG 3.81Å; F695-R704 HydrophobicContact CZ-CB 4.22Å; F695-R704 HydrophobicContact CZ-CG 4.14Å; F695-L707 HydrophobicContact CE1-CB 4.02Å; F695-L707 HydrophobicContact CE1-CD1 3.91Å; F695-L707 HydrophobicContact CZ-CB 4.21Å |
| 696 | S | 77.3 | Confident | 73.8 | Confident | 9.66667 Ų | 9.66667 | 52.1 Ų | 52.1 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | trans | -62.4 | 153.7 | 165.5 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | F677 S698 F699 | F677-S696 PolarHBondContact N-OG 3.05Å; F677-S696 VanDerWaalsContact N-OG 3.17Å; F677-S696 WeakPolarHBondContact O-CB 3.38Å; F677-S696 PolarHBondContact O-N 2.95Å; F677-S696 VanDerWaalsContact O-N 3.07Å; F677-S696 PolarHBondContact O-OG 2.9Å; S696-S698 PolarHBondContact O-N 2.95Å; S696-S698 PolarHBondContact OG-OG 3.44Å; S696-S698 VanDerWaalsContact OG-OG 3.07Å; S696-F699 PolarHBondContact O-N 3.3Å; S696-F699 VanDerWaalsContact O-N 3.16Å | ||
| 697 | S | 67.1 | Low | 73.2 | Confident | 111 Ų | 111 | 50.2 Ų | 50.2 | 78% | 0.776 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -12.4 | -177.7 | 55.5 | 0 | 0 | 0 | 0 | 115.1 | F699 | S697-F699 VanDerWaalsContact C-N 3.34Å; S697-F699 PolarHBondContact O-N 2.93Å |
| 698 | S | 67.6 | Low | 72.4 | Confident | 54.6667 Ų | 54.6667 | 50.9 Ų | 50.9 | 38% | 0.382 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5.4 | 177.2 | 7.4 | 0 | 0 | 0 | 0 | 115.3 | N675 A676 S696 | N675-S698 PolarHBondContact O-OG 2.99Å; N675-S698 VanDerWaalsContact O-OG 3.08Å; A676-S698 WeakPolarHBondContact CB-OG 3.34Å; S696-S698 PolarHBondContact O-N 2.95Å; S696-S698 PolarHBondContact OG-OG 3.44Å; S696-S698 VanDerWaalsContact OG-OG 3.07Å |
| 699 | F | 67.4 | Low | 71.4 | Confident | 13.3333 Ų | 13.3333 | 56.2 Ų | 56.2 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | trans | -87.9 | 128.3 | 178.7 | -83.8 | -86 | 0 | 0 | 0 | 113.5 | R667 A676 F677 F695 S696 S697 E703 R704 L707 | R667-F699 HydrophobicContact CB-CE1 4.42Å; R667-F699 HydrophobicContact CB-CZ 4.11Å; R667-F699 HydrophobicContact CG-CE1 4.39Å; R667-F699 HydrophobicContact CG-CZ 4.5Å; A676-F699 HydrophobicContact CB-CD2 3.88Å; A676-F699 HydrophobicContact CB-CE2 3.51Å; A676-F699 VanDerWaalsContact CB-CE2 3.49Å; A676-F699 HydrophobicContact CB-CZ 3.96Å; F677-F699 VanDerWaalsContact O-CE2 3.32Å; F677-F699 WeakPolarHBondContact O-CE2 3.35Å; F695-F699 HydrophobicContact CB-CB 4.26Å; F695-F699 HydrophobicContact CB-CD2 4.04Å; F695-F699 HydrophobicContact CB-CG 4.33Å; F695-F699 HydrophobicContact CD1-CB 4.41Å; F695-F699 HydrophobicContact CD1-CD1 4.22Å; F695-F699 AromaticContact CD1-CD2 3.95Å; F695-F699 HydrophobicContact CD1-CD2 4Å; F695-F699 HydrophobicContact CD1-CE1 4.49Å; F695-F699 HydrophobicContact CD1-CE2 4.3Å; F695-F699 AromaticContact CD1-CG 3.93Å; F695-F699 HydrophobicContact CD1-CG 3.95Å; S696-F699 PolarHBondContact O-N 3.3Å; S696-F699 VanDerWaalsContact O-N 3.16Å; S697-F699 VanDerWaalsContact C-N 3.34Å; S697-F699 PolarHBondContact O-N 2.93Å; F699-E703 HydrophobicContact CD1-CB 4.13Å; F699-R704 HydrophobicContact CB-CG 3.89Å; F699-R704 PolarHBondContact O-NE 3.11Å; F699-R704 VanDerWaalsContact O-NE 3.13Å; F699-R704 PolarHBondContact O-NH2 3.13Å; F699-R704 VanDerWaalsContact O-NH2 3.16Å; F699-L707 HydrophobicContact CD1-CD1 4.22Å; F699-L707 HydrophobicContact CE1-CD1 3.61Å; F699-L707 HydrophobicContact CZ-CD1 4.33Å | ||
| 700 | H | 65.7 | Low | 70.3 | Confident | 135.667 Ų | 135.667 | 57 Ų | 57 | 63% | 0.628 | 29% | 0.289 | S | S | * | . | trans | -74.6 | 155.2 | 171.1 | -72.5 | -78 | 0 | 0 | 0 | 112 | L702 E703 R704 | H700-L702 VanDerWaalsContact C-N 3.34Å; H700-L702 PolarHBondContact O-N 3.25Å; H700-E703 HydrophobicContact CB-CG 4.35Å; H700-E703 IonicContact CD2-OE2 3.56Å; H700-E703 PolarHBondContact N-OE2 3.3Å; H700-E703 PolarHBondContact O-N 3.12Å; H700-E703 VanDerWaalsContact O-N 3.16Å; H700-R704 WeakPolarHBondContact O-CG 3.38Å; H700-R704 PolarHBondContact O-N 3.27Å | ||
| 701 | E | 64.3 | Low | 68.9 | Low | 119.333 Ų | 119.333 | 60.7 Ų | 60.7 | 56% | 0.558 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.9 | -38.9 | -175.8 | -168.7 | -179 | 157.4 | 0 | 0 | 113.5 | S20 E703 R704 R705 | S20-E701 VanDerWaalsContact CB-OE2 3.3Å; S20-E701 WeakPolarHBondContact CB-OE2 3.44Å; E701-E703 PolarHBondContact O-N 2.83Å; E701-R704 WeakPolarHBondContact O-CB 3.3Å; E701-R704 PolarHBondContact O-N 3.19Å; E701-R705 PolarHBondContact O-N 2.92Å |
| 702 | L | 60.1 | Low | 67.4 | Low | 140.667 Ų | 140.667 | 61.6 Ų | 61.6 | 74% | 0.736 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 175.7 | -74.8 | 161.7 | 0 | 0 | 0 | 112.1 | H700 R704 R705 E706 | H700-L702 VanDerWaalsContact C-N 3.34Å; H700-L702 PolarHBondContact O-N 3.25Å; L702-R704 VanDerWaalsContact C-N 3.29Å; L702-R704 PolarHBondContact O-N 2.96Å; L702-R705 PolarHBondContact O-N 3.26Å; L702-R705 VanDerWaalsContact O-N 3.16Å; L702-E706 PolarHBondContact O-N 3.15Å |
| 703 | E | 62.3 | Low | 65.3 | Low | 57.6667 Ų | 57.6667 | 65.8 Ų | 65.8 | 27% | 0.269 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -36 | 176.7 | -64.6 | 179.4 | 156.6 | 0 | 0 | 111.4 | R667 F699 H700 E701 L707 | R667-E703 WeakPolarHBondContact CD-OE1 3.38Å; R667-E703 IonicContact CZ-OE1 3.78Å; R667-E703 IonicContact NH1-OE1 3.71Å; R667-E703 PolarHBondContact NH1-OE1 3.35Å; R667-E703 IonicContact NH1-OE2 2.73Å; F699-E703 HydrophobicContact CD1-CB 4.13Å; H700-E703 HydrophobicContact CB-CG 4.35Å; H700-E703 IonicContact CD2-OE2 3.56Å; H700-E703 PolarHBondContact N-OE2 3.3Å; H700-E703 PolarHBondContact O-N 3.12Å; H700-E703 VanDerWaalsContact O-N 3.16Å; E701-E703 PolarHBondContact O-N 2.83Å; E703-L707 WeakPolarHBondContact O-CB 3.36Å; E703-L707 WeakPolarHBondContact O-CG 3.21Å; E703-L707 PolarHBondContact O-N 3.09Å; E703-L707 VanDerWaalsContact O-N 3.09Å |
| 704 | R | 66.2 | Low | 63.2 | Low | 42.3333 Ų | 42.3333 | 72.7 Ų | 72.7 | 16% | 0.16 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 173 | -70.8 | -175.1 | -89.2 | 132.1 | -3.4 | 111 | H606 F695 F699 H700 E701 L702 E706 L707 S708 | H606-R704 PolarHBondContact CD2-NH1 2.78Å; H606-R704 PolarHBondContact CE1-NH1 3.13Å; H606-R704 VanDerWaalsContact CE1-NH1 3.27Å; H606-R704 VanDerWaalsContact CG-NH1 3.28Å; H606-R704 PolarHBondContact ND1-NH1 3.36Å; H606-R704 VanDerWaalsContact ND1-NH1 3.12Å; H606-R704 PolarHBondContact NE2-NH1 3.1Å; F695-R704 HydrophobicContact CB-CG 4.4Å; F695-R704 HydrophobicContact CD1-CG 3.89Å; F695-R704 HydrophobicContact CD2-CG 3.92Å; F695-R704 HydrophobicContact CE1-CB 4.45Å; F695-R704 HydrophobicContact CE1-CG 4.05Å; F695-R704 HydrophobicContact CE2-CB 4.28Å; F695-R704 HydrophobicContact CE2-CG 4.09Å; F695-R704 HydrophobicContact CG-CG 3.81Å; F695-R704 HydrophobicContact CZ-CB 4.22Å; F695-R704 HydrophobicContact CZ-CG 4.14Å; F699-R704 HydrophobicContact CB-CG 3.89Å; F699-R704 PolarHBondContact O-NE 3.11Å; F699-R704 VanDerWaalsContact O-NE 3.13Å; F699-R704 PolarHBondContact O-NH2 3.13Å; F699-R704 VanDerWaalsContact O-NH2 3.16Å; H700-R704 WeakPolarHBondContact O-CG 3.38Å; H700-R704 PolarHBondContact O-N 3.27Å; E701-R704 WeakPolarHBondContact O-CB 3.3Å; E701-R704 PolarHBondContact O-N 3.19Å; L702-R704 VanDerWaalsContact C-N 3.29Å; L702-R704 PolarHBondContact O-N 2.96Å; R704-E706 VanDerWaalsContact C-N 3.33Å; R704-E706 PolarHBondContact O-N 3.17Å; R704-L707 CarbonylContact O-C 3.57Å; R704-L707 PolarHBondContact O-N 3.04Å; R704-L707 VanDerWaalsContact O-N 3.13Å; R704-S708 VanDerWaalsContact O-CB 3.3Å; R704-S708 WeakPolarHBondContact O-CB 3.43Å; R704-S708 PolarHBondContact O-N 2.98Å; R704-S708 PolarHBondContact O-OG 3.01Å |
| 705 | R | 65 | Low | 60.9 | Low | 157.667 Ų | 157.667 | 82.9 Ų | 82.9 | 60% | 0.595 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.8 | -40 | 178.6 | -129 | 176.9 | -177.8 | 169.2 | 1.9 | 112.7 | E701 L702 L707 S708 N709 | E701-R705 PolarHBondContact O-N 2.92Å; L702-R705 PolarHBondContact O-N 3.26Å; L702-R705 VanDerWaalsContact O-N 3.16Å; R705-L707 PolarHBondContact O-N 3.49Å; R705-S708 VanDerWaalsContact CA-OG 3.29Å; R705-S708 WeakPolarHBondContact CA-OG 3.39Å; R705-S708 PolarHBondContact O-N 3.3Å; R705-S708 PolarHBondContact O-OG 2.95Å; R705-N709 VanDerWaalsContact O-CB 3.26Å; R705-N709 WeakPolarHBondContact O-CB 3.39Å; R705-N709 PolarHBondContact O-N 2.79Å; R705-N709 PolarHBondContact O-ND2 2.83Å |
| 706 | E | 63.8 | Low | 58.7 | Low | 148.667 Ų | 148.667 | 84.9 Ų | 84.9 | 70% | 0.695 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.6 | -39.9 | 174.4 | -72.8 | -172.3 | 165 | 0 | 0 | 112.7 | L702 R704 S708 N709 | L702-E706 PolarHBondContact O-N 3.15Å; R704-E706 VanDerWaalsContact C-N 3.33Å; R704-E706 PolarHBondContact O-N 3.17Å; E706-S708 VanDerWaalsContact C-N 3.32Å; E706-N709 PolarHBondContact O-N 3.26Å |
| 707 | L | 63.7 | Low | 56.7 | Low | 36.3333 Ų | 36.3333 | 90 Ų | 90 | 19% | 0.19 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -74.3 | -27.2 | 177.1 | -75.5 | 166.4 | 0 | 0 | 0 | 113.3 | F652 K665 F695 F699 E703 R704 R705 V710 | F652-L707 HydrophobicContact CZ-CD2 3.97Å; K665-L707 HydrophobicContact CD-CD2 4.06Å; K665-L707 VanDerWaalsContact NZ-CD2 3.26Å; F695-L707 HydrophobicContact CE1-CB 4.02Å; F695-L707 HydrophobicContact CE1-CD1 3.91Å; F695-L707 HydrophobicContact CZ-CB 4.21Å; F699-L707 HydrophobicContact CD1-CD1 4.22Å; F699-L707 HydrophobicContact CE1-CD1 3.61Å; F699-L707 HydrophobicContact CZ-CD1 4.33Å; E703-L707 WeakPolarHBondContact O-CB 3.36Å; E703-L707 WeakPolarHBondContact O-CG 3.21Å; E703-L707 PolarHBondContact O-N 3.09Å; E703-L707 VanDerWaalsContact O-N 3.09Å; R704-L707 CarbonylContact O-C 3.57Å; R704-L707 PolarHBondContact O-N 3.04Å; R704-L707 VanDerWaalsContact O-N 3.13Å; R705-L707 PolarHBondContact O-N 3.49Å; L707-V710 WeakPolarHBondContact O-CG2 3.35Å |
| 708 | S | 61.4 | Low | 55 | Low | 17 Ų | 17 | 89 Ų | 89 | 12% | 0.119 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -80.2 | -25.1 | 174.6 | 41.1 | 0 | 0 | 0 | 0 | 112.5 | D608 L610 R704 R705 E706 V710 | D608-S708 PolarHBondContact OD2-OG 2.82Å; D608-S708 VanDerWaalsContact OD2-OG 3.1Å; L610-S708 WeakPolarHBondContact CD1-O 3.39Å; R704-S708 VanDerWaalsContact O-CB 3.3Å; R704-S708 WeakPolarHBondContact O-CB 3.43Å; R704-S708 PolarHBondContact O-N 2.98Å; R704-S708 PolarHBondContact O-OG 3.01Å; R705-S708 VanDerWaalsContact CA-OG 3.29Å; R705-S708 WeakPolarHBondContact CA-OG 3.39Å; R705-S708 PolarHBondContact O-N 3.3Å; R705-S708 PolarHBondContact O-OG 2.95Å; E706-S708 VanDerWaalsContact C-N 3.32Å; S708-V710 VanDerWaalsContact C-N 3.3Å; S708-V710 PolarHBondContact O-N 3.02Å; S708-V710 VanDerWaalsContact O-N 3.09Å |
| 709 | N | 62.3 | Low | 53.2 | Low | 117.667 Ų | 117.667 | 91.9 Ų | 91.9 | 63% | 0.629 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -78.5 | 58.4 | 169.4 | -76.1 | -17.2 | 0 | 0 | 0 | 111.3 | R705 E706 P711 | R705-N709 VanDerWaalsContact O-CB 3.26Å; R705-N709 WeakPolarHBondContact O-CB 3.39Å; R705-N709 PolarHBondContact O-N 2.79Å; R705-N709 PolarHBondContact O-ND2 2.83Å; E706-N709 PolarHBondContact O-N 3.26Å; N709-P711 VanDerWaalsContact O-CD 3.26Å; N709-P711 WeakPolarHBondContact O-CD 3.44Å |
| 710 | V | 60.9 | Low | 51.4 | Low | 17.6667 Ų | 17.6667 | 95.5 Ų | 95.5 | 11% | 0.107 | 49% | 0.488 | C | S | . | . | trans | -67.5 | 120 | -179.4 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | L610 F648 F652 L707 S708 L712 | L610-V710 HydrophobicContact CD1-CG2 3.9Å; F648-V710 HydrophobicContact CD1-CG1 4.3Å; F648-V710 HydrophobicContact CE1-CG1 3.3Å; F648-V710 HydrophobicContact CE2-CG1 4.33Å; F648-V710 HydrophobicContact CZ-CG1 3.26Å; F652-V710 HydrophobicContact CZ-CG2 4.32Å; L707-V710 WeakPolarHBondContact O-CG2 3.35Å; S708-V710 VanDerWaalsContact C-N 3.3Å; S708-V710 PolarHBondContact O-N 3.02Å; S708-V710 VanDerWaalsContact O-N 3.09Å; V710-L712 HydrophobicContact CB-CD1 4.38Å; V710-L712 HydrophobicContact CG1-CB 4.1Å; V710-L712 HydrophobicContact CG1-CD1 3.9Å; V710-L712 PolarHBondContact O-N 3.08Å | ||
| 711 | P | 53.5 | Low | 49.7 | Very low | 88 Ų | 88 | 94.1 Ų | 94.1 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | trans | -75.8 | 58.5 | 178.5 | 31.3 | -34 | 0 | 0 | 0 | 111 | N709 V713 R714 | N709-P711 VanDerWaalsContact O-CD 3.26Å; N709-P711 WeakPolarHBondContact O-CD 3.44Å; P711-V713 PolarHBondContact O-N 3.1Å; P711-V713 VanDerWaalsContact O-N 3.15Å; P711-R714 PolarHBondContact O-N 2.82Å | ||
| 712 | L | 52.6 | Low | 47.9 | Very low | 20.3333 Ų | 20.3333 | 92.9 Ų | 92.9 | 11% | 0.106 | 50% | 0.498 | C | S | . | . | trans | -71 | 39.4 | 175.4 | -130.6 | 104.9 | 0 | 0 | 0 | 110.6 | F612 V645 F648 F649 V710 C746 | F612-L712 HydrophobicContact CD1-CD2 3.93Å; F612-L712 HydrophobicContact CE1-CB 4.34Å; F612-L712 HydrophobicContact CE1-CD1 4.09Å; F612-L712 HydrophobicContact CE1-CD2 3.68Å; F612-L712 HydrophobicContact CE2-CD2 4.47Å; F612-L712 HydrophobicContact CG-CD2 4.43Å; F612-L712 HydrophobicContact CZ-CD1 4.01Å; F612-L712 HydrophobicContact CZ-CD2 3.97Å; V645-L712 HydrophobicContact CB-CD2 4.22Å; V645-L712 HydrophobicContact CG1-CD2 4.2Å; V645-L712 HydrophobicContact CG2-CD2 3.99Å; F648-L712 HydrophobicContact CB-CD1 3.78Å; F648-L712 HydrophobicContact CB-CD2 4.07Å; F648-L712 HydrophobicContact CB-CG 4.44Å; F648-L712 HydrophobicContact CD1-CD1 3.54Å; F648-L712 VanDerWaalsContact CD1-CD1 3.44Å; F648-L712 HydrophobicContact CD1-CD2 4.14Å; F648-L712 HydrophobicContact CD1-CG 3.91Å; F648-L712 HydrophobicContact CD2-CD1 3.98Å; F648-L712 HydrophobicContact CD2-CG 4.21Å; F648-L712 HydrophobicContact CE1-CD1 3.8Å; F648-L712 VanDerWaalsContact CE1-CD1 3.49Å; F648-L712 HydrophobicContact CE1-CG 4.2Å; F648-L712 HydrophobicContact CE2-CD1 3.97Å; F648-L712 HydrophobicContact CE2-CG 4.38Å; F648-L712 HydrophobicContact CG-CD1 3.84Å; F648-L712 HydrophobicContact CG-CD2 4.02Å; F648-L712 HydrophobicContact CG-CG 3.94Å; F648-L712 HydrophobicContact CZ-CD1 4.13Å; F648-L712 HydrophobicContact CZ-CG 4.36Å; F649-L712 HydrophobicContact CE2-CD1 4.28Å; F649-L712 HydrophobicContact CZ-CD1 4.03Å; V710-L712 HydrophobicContact CB-CD1 4.38Å; V710-L712 HydrophobicContact CG1-CB 4.1Å; V710-L712 HydrophobicContact CG1-CD1 3.9Å; V710-L712 PolarHBondContact O-N 3.08Å; L712-C746 WeakPolarHBondContact CB-SG 3.29Å; L712-C746 VanDerWaalsContact CD2-SG 3.58Å; L712-C746 WeakPolarHBondContact CD2-SG 3.41Å | ||
| 713 | V | 43 | Very low | 46.5 | Very low | 91.3333 Ų | 91.3333 | 92.5 Ų | 92.5 | 55% | 0.554 | 50% | 0.501 | S | S | * | . | trans | -109.6 | 90.4 | -178.8 | -177 | 0 | 0 | 0 | 0 | 109.7 | P711 F742 L748 | P711-V713 PolarHBondContact O-N 3.1Å; P711-V713 VanDerWaalsContact O-N 3.15Å; V713-F742 HydrophobicContact CG1-CD1 4.29Å; V713-L748 HydrophobicContact CG2-CB 4.27Å | ||
| 714 | R | 40.4 | Very low | 45.1 | Very low | 146.333 Ų | 146.333 | 97.6 Ų | 97.6 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | trans | -116 | 55.4 | 174.2 | -91.6 | 177 | 179.1 | 147.1 | 29.4 | 116.2 | E640 S641 A644 P711 F742 V743 A745 | E640-R714 PolarHBondContact O-NH2 2.74Å; E640-R714 IonicContact OE1-NE 3.93Å; E640-R714 IonicContact OE2-CZ 2.73Å; E640-R714 VanDerWaalsContact OE2-CZ 3.23Å; E640-R714 IonicContact OE2-NE 3.76Å; E640-R714 PolarHBondContact OE2-NE 2.84Å; E640-R714 VanDerWaalsContact OE2-NE 3.08Å; E640-R714 IonicContact OE2-NH1 3.58Å; E640-R714 PolarHBondContact OE2-NH1 3.5Å; S641-R714 VanDerWaalsContact CA-NH1 3.28Å; S641-R714 VanDerWaalsContact N-CZ 3.34Å; S641-R714 PolarHBondContact OG-NH1 3.41Å; A644-R714 HydrophobicContact CB-CG 3.97Å; P711-R714 PolarHBondContact O-N 2.82Å; R714-F742 WeakPolarHBondContact O-CD1 3.5Å; R714-V743 VanDerWaalsContact CB-O 3.26Å; R714-V743 WeakPolarHBondContact CB-O 3.38Å; R714-A745 HydrophobicContact CB-CB 3.77Å; R714-A745 HydrophobicContact CG-CB 3.73Å | ||
| 715 | R | 33.9 | Very low | 43.2 | Very low | 215 Ų | 215 | 100.4 Ų | 100.4 | 81% | 0.811 | 55% | 0.551 | S | S | * | * | trans | -126.5 | 99.5 | 161.8 | -81 | -173.8 | 177.2 | 135.5 | 0.2 | 110.8 | I717 F742 | R715-I717 PolarHBondContact O-N 2.78Å; R715-F742 HydrophobicContact CG-CE1 3.68Å; R715-F742 HydrophobicContact CG-CZ 4.39Å | ||
| 716 | S | 34.7 | Very low | 41.6 | Very low | 42 Ų | 42 | 100 Ų | 100 | 29% | 0.294 | 56% | 0.561 | S | S | . | * | trans | -82.7 | 120.2 | 159.8 | -82.9 | 0 | 0 | 0 | 0 | 108.9 | S718 F742 | S716-S718 PolarHBondContact O-N 3Å; S716-F742 WeakPolarHBondContact OG-CD1 3.49Å; S716-F742 WeakPolarHBondContact OG-CE1 3.45Å; S716-F742 WeakPolarHBondContact OG-CG 3.4Å | ||
| 717 | I | 34.4 | Very low | 39.9 | Very low | 117.333 Ų | 117.333 | 101.1 Ų | 101.1 | 60% | 0.602 | 57% | 0.566 | S | S | * | * | trans | -88.9 | 103.8 | 164 | -64.1 | 169.4 | 0 | 0 | 0 | 104.3 | A644 F648 R715 T719 | A644-I717 HydrophobicContact CB-CB 4.36Å; A644-I717 HydrophobicContact CB-CD1 3.76Å; A644-I717 HydrophobicContact CB-CG2 4.12Å; A644-I717 VanDerWaalsContact O-CD1 3.32Å; A644-I717 WeakPolarHBondContact O-CD1 3.44Å; F648-I717 HydrophobicContact CB-CD1 4.39Å; R715-I717 PolarHBondContact O-N 2.78Å; I717-T719 VanDerWaalsContact C-N 3.28Å; I717-T719 HydrophobicContact CG2-CG2 3.98Å; I717-T719 PolarHBondContact O-N 2.89Å | ||
| 718 | S | 32.5 | Very low | 38.4 | Very low | 90.6667 Ų | 90.6667 | 106.3 Ų | 106.3 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | trans | -67.5 | 99.6 | 170.6 | -45.7 | 0 | 0 | 0 | 0 | 108.1 | S716 A720 | S716-S718 PolarHBondContact O-N 3Å; S718-A720 PolarHBondContact O-N 3.18Å; S718-A720 VanDerWaalsContact O-N 3.1Å | ||
| 719 | T | 29.1 | Very low | 37 | Very low | 114.667 Ų | 114.667 | 113.3 Ų | 113.3 | 70% | 0.703 | 63% | 0.628 | S | S | * | * | trans | -70.6 | 87.2 | 159 | 39.8 | 0 | 0 | 0 | 0 | 107.2 | E640 I717 S721 | E640-T719 WeakPolarHBondContact OE1-CG2 3.43Å; E640-T719 PolarHBondContact OE1-OG1 2.96Å; I717-T719 VanDerWaalsContact C-N 3.28Å; I717-T719 HydrophobicContact CG2-CG2 3.98Å; I717-T719 PolarHBondContact O-N 2.89Å; T719-S721 VanDerWaalsContact C-N 3.31Å; T719-S721 PolarHBondContact O-N 3.17Å | ||
| 720 | A | 28.9 | Very low | 35.3 | Very low | 88.6667 Ų | 88.6667 | 114.8 Ų | 114.8 | 73% | 0.733 | 64% | 0.636 | S | S | * | * | trans | -64.6 | 96.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | S718 S722 | S718-A720 PolarHBondContact O-N 3.18Å; S718-A720 VanDerWaalsContact O-N 3.1Å; A720-S722 PolarHBondContact O-N 3.37Å | ||
| 721 | S | 29.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | trans | -65.6 | 85.8 | 165.3 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | T719 V723 | T719-S721 VanDerWaalsContact C-N 3.31Å; T719-S721 PolarHBondContact O-N 3.17Å; S721-V723 VanDerWaalsContact C-N 3.28Å; S721-V723 PolarHBondContact O-N 3.28Å; S721-V723 VanDerWaalsContact O-N 3.1Å | ||
| 722 | S | 27.9 | Very low | 32.7 | Very low | 94.3333 Ų | 94.3333 | 123.4 Ų | 123.4 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | trans | -68.5 | 97 | 164.3 | 63 | 0 | 0 | 0 | 0 | 107.9 | A720 H724 | A720-S722 PolarHBondContact O-N 3.37Å; S722-H724 PolarHBondContact O-N 2.93Å | ||
| 723 | V | 31.2 | Very low | 31.4 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 80% | 0.8 | 72% | 0.716 | S | S | * | * | trans | -74.7 | 119.7 | 159.4 | 176.3 | 0 | 0 | 0 | 0 | 106.5 | S721 S725 | S721-V723 VanDerWaalsContact C-N 3.28Å; S721-V723 PolarHBondContact O-N 3.28Å; S721-V723 VanDerWaalsContact O-N 3.1Å; V723-S725 PolarHBondContact O-N 3.32Å | ||
| 724 | H | 31.6 | Very low | 30.6 | Very low | 166.333 Ų | 166.333 | 134.4 Ų | 134.4 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -60.8 | 124.3 | 176.7 | -77.3 | -73.1 | 0 | 0 | 0 | 111.2 | S722 | S722-H724 PolarHBondContact O-N 2.93Š| ||
| 725 | S | 27.5 | Very low | 30.1 | Very low | 99.6667 Ų | 99.6667 | 136.1 Ų | 136.1 | 70% | 0.697 | 74% | 0.741 | S | S | * | * | trans | 32.5 | 113.6 | 144.5 | 58.3 | 0 | 0 | 0 | 0 | 115.1 | V723 | V723-S725 PolarHBondContact O-N 3.32Š| ||
| 726 | N | 30.6 | Very low | 29.8 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | -133.7 | 136.8 | 123.8 | -86.3 | -14.7 | 0 | 0 | 0 | 111.7 | |||||
| 727 | E | 28.7 | Very low | 29.4 | Very low | 171.667 Ų | 171.667 | 139.6 Ų | 139.6 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -124.2 | 143.6 | 149 | -71.1 | 178.4 | 171.9 | 0 | 0 | 115.3 | ||||
| 728 | N | 30.6 | Very low | 29.1 | Very low | 145.667 Ų | 145.667 | 141.1 Ų | 141.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 45 | 117.9 | 165.7 | -56.4 | -36.4 | 0 | 0 | 0 | 116.9 | ||||
| 729 | I | 33.6 | Very low | 29.1 | Very low | 164 Ų | 164 | 141 Ų | 141 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | -165.5 | 116.6 | 119 | -88.6 | 145.7 | 0 | 0 | 0 | 108.4 | T731 | I729-T731 PolarHBondContact O-N 3.16Š| |||
| 730 | D | 26.6 | Very low | 29.5 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -46.6 | 131.8 | 159.9 | -77.4 | -43 | 0 | 0 | 0 | 114.3 | ||||
| 731 | T | 30.3 | Very low | 30.2 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | 87.3 | 106.7 | 149.1 | 43.2 | 0 | 0 | 0 | 0 | 116.9 | I729 | I729-T731 PolarHBondContact O-N 3.16Š| ||
| 732 | L | 28.1 | Very low | 31.2 | Very low | 164.667 Ų | 164.667 | 142.8 Ų | 142.8 | 86% | 0.862 | 76% | 0.757 | S | S | * | * | 143.9 | 121.2 | 119.9 | -80 | 165.7 | 0 | 0 | 0 | 114.4 | |||||
| 733 | M | 26.3 | Very low | 32.8 | Very low | 173.333 Ų | 173.333 | 141.6 Ų | 141.6 | 85% | 0.854 | 75% | 0.745 | S | S | * | * | trans | 88.9 | 125.9 | 157.8 | -64.5 | -161.5 | 81.6 | 0 | 0 | 117 | Q735 | M733-Q735 VanDerWaalsContact C-N 3.26Å; M733-Q735 PolarHBondContact O-N 3.22Å | ||
| 734 | E | 26.8 | Very low | 34.5 | Very low | 170.333 Ų | 170.333 | 137.4 Ų | 137.4 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | trans | -63.3 | 96 | 174.1 | -68.6 | 175.7 | 152 | 0 | 0 | 111.8 | R736 H966 | E734-R736 VanDerWaalsContact C-N 3.31Å; E734-R736 PolarHBondContact O-N 3.25Å; E734-R736 VanDerWaalsContact O-N 3.12Å; E734-H966 VanDerWaalsContact OE2-CB 3.28Å; E734-H966 WeakPolarHBondContact OE2-CB 3.29Å; E734-H966 IonicContact OE2-CE1 3.63Å; E734-H966 IonicContact OE2-CG 3.6Å; E734-H966 IonicContact OE2-ND1 3.49Å; E734-H966 PolarHBondContact OE2-ND1 3.34Å | ||
| 735 | Q | 28.9 | Very low | 36.3 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 85% | 0.846 | 69% | 0.691 | S | S | * | * | trans | -68.4 | 108.7 | 161.1 | -76.5 | -172 | -22.5 | 0 | 0 | 109.4 | M733 T737 | M733-Q735 VanDerWaalsContact C-N 3.26Å; M733-Q735 PolarHBondContact O-N 3.22Å; Q735-T737 PolarHBondContact O-N 2.96Å | ||
| 736 | R | 28.2 | Very low | 38.6 | Very low | 192.667 Ų | 192.667 | 125.8 Ų | 125.8 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | -56.9 | 105.1 | 167.4 | -75 | 178.9 | 178.6 | 161.2 | 2.6 | 108.8 | E734 M738 H966 M967 | E734-R736 VanDerWaalsContact C-N 3.31Å; E734-R736 PolarHBondContact O-N 3.25Å; E734-R736 VanDerWaalsContact O-N 3.12Å; R736-M738 VanDerWaalsContact C-N 3.3Å; R736-M738 HydrophobicContact CB-CE 3.99Å; R736-M738 PolarHBondContact O-N 3.21Å; R736-H966 PolarHBondContact NE-CE1 3.42Å; R736-H966 PolarHBondContact NH2-CD2 3.49Å; R736-H966 PolarHBondContact NH2-CE1 2.84Å; R736-H966 PolarHBondContact NH2-ND1 3.05Å; R736-H966 PolarHBondContact NH2-NE2 2.85Å; R736-M967 HydrophobicContact CG-CE 3.9Å; R736-M967 HydrophobicContact CG-CG 4.18Å; R736-M967 HydrophobicContact CG-SD 4Å; R736-M967 VanDerWaalsContact NE-CG 3.35Å; R736-M967 PolarHBondContact NE-SD 3.38Å | ||
| 737 | T | 26.5 | Very low | 40.8 | Very low | 138.667 Ų | 138.667 | 120.6 Ų | 120.6 | 85% | 0.851 | 63% | 0.629 | S | S | * | * | trans | -65 | 88.4 | 168.5 | 34 | 0 | 0 | 0 | 0 | 108.9 | Q735 S739 | Q735-T737 PolarHBondContact O-N 2.96Å; T737-S739 PolarHBondContact O-N 3.18Å; T737-S739 VanDerWaalsContact O-N 3.08Å | ||
| 738 | M | 27.9 | Very low | 43.1 | Very low | 148.667 Ų | 148.667 | 115.9 Ų | 115.9 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | trans | -60.3 | 117.7 | 167.1 | -73.9 | -75.4 | 96.7 | 0 | 0 | 108.3 | R736 | R736-M738 VanDerWaalsContact C-N 3.3Å; R736-M738 HydrophobicContact CB-CE 3.99Å; R736-M738 PolarHBondContact O-N 3.21Å | ||
| 739 | S | 32 | Very low | 45.2 | Very low | 88.6667 Ų | 88.6667 | 109.3 Ų | 109.3 | 62% | 0.62 | 58% | 0.575 | S | S | * | * | trans | -49.8 | 139.9 | 168.4 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | T737 V741 | T737-S739 PolarHBondContact O-N 3.18Å; T737-S739 VanDerWaalsContact O-N 3.08Å; S739-V741 PolarHBondContact O-N 3.35Å; S739-V741 VanDerWaalsContact O-N 3.09Å | ||
| 740 | P | 36.9 | Very low | 47 | Very low | 97 Ų | 97 | 105.1 Ų | 105.1 | 63% | 0.63 | 55% | 0.554 | S | S | * | * | trans | -58.6 | 112.4 | -179.7 | 24.7 | -32.8 | 0 | 0 | 0 | 109.1 | F742 | P740-F742 WeakPolarHBondContact O-CD2 3.26Å; P740-F742 PolarHBondContact O-N 3.08Å; P740-F742 VanDerWaalsContact O-N 3.11Å | ||
| 741 | V | 43.7 | Very low | 49.3 | Very low | 112.333 Ų | 112.333 | 98.4 Ų | 98.4 | 68% | 0.681 | 52% | 0.519 | S | S | * | . | trans | -66.4 | 112.6 | 178.5 | 177 | 0 | 0 | 0 | 0 | 106.9 | S739 V743 | S739-V741 PolarHBondContact O-N 3.35Å; S739-V741 VanDerWaalsContact O-N 3.09Å; V741-V743 HydrophobicContact CG1-CG2 4.4Å; V741-V743 PolarHBondContact O-N 3.09Å | ||
| 742 | F | 52.1 | Low | 51.3 | Low | 137.667 Ų | 137.667 | 94.1 Ų | 94.1 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | trans | -70.1 | 96 | -179.4 | -79.3 | -82.8 | 0 | 0 | 0 | 110.1 | V713 R714 R715 S716 P740 P744 | V713-F742 HydrophobicContact CG1-CD1 4.29Å; R714-F742 WeakPolarHBondContact O-CD1 3.5Å; R715-F742 HydrophobicContact CG-CE1 3.68Å; R715-F742 HydrophobicContact CG-CZ 4.39Å; S716-F742 WeakPolarHBondContact OG-CD1 3.49Å; S716-F742 WeakPolarHBondContact OG-CE1 3.45Å; S716-F742 WeakPolarHBondContact OG-CG 3.4Å; P740-F742 WeakPolarHBondContact O-CD2 3.26Å; P740-F742 PolarHBondContact O-N 3.08Å; P740-F742 VanDerWaalsContact O-N 3.11Å; F742-P744 WeakPolarHBondContact O-CD 3.3Å | ||
| 743 | V | 61.2 | Low | 53.5 | Low | 69.3333 Ų | 69.3333 | 86.3 Ų | 86.3 | 42% | 0.42 | 45% | 0.452 | S | S | . | . | trans | -81.4 | 119.4 | 172.2 | -177.8 | 0 | 0 | 0 | 0 | 109 | N615 R714 V741 | N615-V743 VanDerWaalsContact ND2-CG1 3.26Å; N615-V743 WeakPolarHBondContact ND2-CG1 3.35Å; R714-V743 VanDerWaalsContact CB-O 3.26Å; R714-V743 WeakPolarHBondContact CB-O 3.38Å; V741-V743 HydrophobicContact CG1-CG2 4.4Å; V741-V743 PolarHBondContact O-N 3.09Å | ||
| 744 | P | 65.9 | Low | 55.6 | Low | 44.6667 Ų | 44.6667 | 79.9 Ų | 79.9 | 29% | 0.29 | 42% | 0.421 | S | S | . | . | trans | -68.1 | 138.5 | 175.8 | 26.8 | -33.6 | 0 | 0 | 0 | 111.2 | N615 F742 C746 F747 | N615-P744 VanDerWaalsContact CB-O 3.31Å; N615-P744 WeakPolarHBondContact CB-O 3.47Å; N615-P744 PolarHBondContact ND2-O 3.25Å; N615-P744 VanDerWaalsContact ND2-O 3.16Å; F742-P744 WeakPolarHBondContact O-CD 3.3Å; P744-C746 VanDerWaalsContact C-N 3.33Å; P744-C746 PolarHBondContact O-N 3.4Å; P744-F747 HydrophobicContact CB-CE1 4.24Å; P744-F747 HydrophobicContact CB-CZ 4.24Å; P744-F747 HydrophobicContact CG-CD1 4.35Å; P744-F747 HydrophobicContact CG-CE1 3.4Å; P744-F747 VanDerWaalsContact CG-CE1 3.43Å; P744-F747 HydrophobicContact CG-CE2 4.34Å; P744-F747 HydrophobicContact CG-CZ 3.41Å; P744-F747 VanDerWaalsContact CG-CZ 3.46Å | ||
| 745 | A | 69.3 | Low | 57.7 | Low | 16.3333 Ų | 16.3333 | 74.9 Ų | 74.9 | 14% | 0.135 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -72.1 | -28.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N615 S641 A644 R714 | N615-A745 PolarHBondContact N-O 2.79Å; S641-A745 VanDerWaalsContact CB-O 3.25Å; S641-A745 WeakPolarHBondContact CB-O 3.4Å; S641-A745 PolarHBondContact OG-O 3.38Å; S641-A745 VanDerWaalsContact OG-O 3.13Å; A644-A745 HydrophobicContact CB-CB 4Å; R714-A745 HydrophobicContact CB-CB 3.77Å; R714-A745 HydrophobicContact CG-CB 3.73Å |
| 746 | C | 76.5 | Confident | 60 | Low | 6 Ų | 6 | 66.7 Ų | 66.7 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 164.1 | 177.6 | 68.3 | 0 | 0 | 0 | 0 | 110.9 | F612 V613 L614 V645 L712 P744 | F612-C746 HydrophobicContact CB-CB 4.29Å; V613-C746 CarbonylContact O-C 3.56Å; V613-C746 WeakPolarHBondContact O-CA 3.31Å; V613-C746 WeakPolarHBondContact O-CB 3.39Å; L614-C746 HydrophobicContact CD2-CB 4.13Å; V645-C746 HydrophobicContact CG2-CB 4.34Å; L712-C746 WeakPolarHBondContact CB-SG 3.29Å; L712-C746 VanDerWaalsContact CD2-SG 3.58Å; L712-C746 WeakPolarHBondContact CD2-SG 3.41Å; P744-C746 VanDerWaalsContact C-N 3.33Å; P744-C746 PolarHBondContact O-N 3.4Å |
| 747 | F | 76.2 | Confident | 62.4 | Low | 40 Ų | 40 | 57.9 Ų | 57.9 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.5 | -178 | -57.9 | -90.5 | 0 | 0 | 0 | 110 | F612 V613 N615 P744 R829 | F612-F747 CarbonylContact C-O 3.57Å; F612-F747 VanDerWaalsContact CA-O 3.25Å; F612-F747 WeakPolarHBondContact CA-O 3.45Å; V613-F747 PolarHBondContact N-O 3.22Å; V613-F747 PolarHBondContact O-N 2.99Å; N615-F747 HydrophobicContact CB-CE2 3.87Å; P744-F747 HydrophobicContact CB-CE1 4.24Å; P744-F747 HydrophobicContact CB-CZ 4.24Å; P744-F747 HydrophobicContact CG-CD1 4.35Å; P744-F747 HydrophobicContact CG-CE1 3.4Å; P744-F747 VanDerWaalsContact CG-CE1 3.43Å; P744-F747 HydrophobicContact CG-CE2 4.34Å; P744-F747 HydrophobicContact CG-CZ 3.41Å; P744-F747 VanDerWaalsContact CG-CZ 3.46Å; F747-R829 VanDerWaalsContact CD1-CZ 3.4Å; F747-R829 VanDerWaalsContact CD1-NH1 3.29Å; F747-R829 VanDerWaalsContact CD2-NH1 3.29Å; F747-R829 VanDerWaalsContact CE1-CZ 3.45Å; F747-R829 VanDerWaalsContact CE1-NH1 3.35Å; F747-R829 VanDerWaalsContact CE2-NE 3.29Å |
| 748 | L | 77 | Confident | 65 | Low | 74 Ų | 74 | 51.6 Ų | 51.6 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 134.3 | 172.5 | -177.7 | 70.3 | 0 | 0 | 0 | 109.3 | L610 F612 V713 | L610-L748 HydrophobicContact CB-CD1 4.13Å; L610-L748 HydrophobicContact CD2-CD1 4.24Å; F612-L748 HydrophobicContact CD1-CB 4.16Å; F612-L748 HydrophobicContact CD1-CD1 4.09Å; F612-L748 HydrophobicContact CE1-CB 4.02Å; F612-L748 HydrophobicContact CE1-CD1 3.61Å; F612-L748 HydrophobicContact CE1-CG 4.41Å; F612-L748 HydrophobicContact CZ-CD1 3.9Å; V713-L748 HydrophobicContact CG2-CB 4.27Å |
| 749 | I | 76 | Confident | 67.4 | Low | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.9 | 173.9 | -60 | -167.8 | 0 | 0 | 0 | 107.7 | N611 V613 A751 L753 L841 L854 | N611-I749 PolarHBondContact O-N 3.21Å; V613-I749 HydrophobicContact CB-CD1 4.15Å; V613-I749 HydrophobicContact CG2-CD1 3.38Å; V613-I749 VanDerWaalsContact CG2-CD1 3.45Å; V613-I749 HydrophobicContact CG2-CG1 4.23Å; I749-A751 VanDerWaalsContact C-N 3.32Å; I749-A751 HydrophobicContact CG2-CB 4.19Å; I749-L753 HydrophobicContact CB-CD1 4.19Å; I749-L753 HydrophobicContact CD1-CD1 3.88Å; I749-L753 HydrophobicContact CG1-CD1 4.45Å; I749-L753 HydrophobicContact CG2-CD1 3.95Å; I749-L753 HydrophobicContact CG2-CD2 4.48Å; I749-L753 HydrophobicContact CG2-CG 4.22Å; I749-L841 HydrophobicContact CD1-CD2 3.46Å; I749-L841 VanDerWaalsContact CD1-CD2 3.42Å; I749-L841 HydrophobicContact CG2-CD2 4.43Å; I749-L854 HydrophobicContact CG2-CD2 4.44Å |
| 750 | D | 71.3 | Confident | 69.5 | Low | 75.3333 Ų | 75.3333 | 42.7 Ų | 42.7 | 40% | 0.403 | 23% | 0.231 | S | C | . | . | trans | -79.6 | -24.4 | -172 | -68 | -43.7 | 0 | 0 | 0 | 111.3 | E843 K845 Y852 | D750-E843 PolarHBondContact N-OE1 3.24Å; D750-K845 IonicContact OD2-NZ 3.78Å; D750-K845 PolarHBondContact OD2-NZ 3.21Å; D750-Y852 HydrophobicContact CB-CD1 4.32Å; D750-Y852 HydrophobicContact CB-CD2 3.88Å; D750-Y852 HydrophobicContact CB-CE1 4.13Å; D750-Y852 HydrophobicContact CB-CE2 3.77Å; D750-Y852 VanDerWaalsContact CB-CE2 3.45Å; D750-Y852 HydrophobicContact CB-CG 4.24Å; D750-Y852 WeakPolarHBondContact OD2-CE1 3.43Å; D750-Y852 WeakPolarHBondContact OD2-CE2 3.27Å; D750-Y852 VanDerWaalsContact OD2-CZ 3.26Å; D750-Y852 PolarHBondContact OD2-OH 3.17Å | ||
| 751 | A | 73.8 | Confident | 71.1 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -73 | 146.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N611 I749 L753 L756 L854 | N611-A751 PolarHBondContact ND2-O 3.04Å; I749-A751 VanDerWaalsContact C-N 3.32Å; I749-A751 HydrophobicContact CG2-CB 4.19Å; A751-L753 VanDerWaalsContact C-N 3.32Å; A751-L753 HydrophobicContact CB-CD2 4.35Å; A751-L753 PolarHBondContact O-N 2.9Å; A751-L756 HydrophobicContact CB-CD1 4.43Å; A751-L854 HydrophobicContact CB-CD1 3.32Å; A751-L854 HydrophobicContact CB-CD2 3.54Å; A751-L854 HydrophobicContact CB-CG 3.86Å |
| 752 | P | 73.1 | Confident | 72.5 | Confident | 30.6667 Ų | 30.6667 | 38.6 Ų | 38.6 | 20% | 0.199 | 21% | 0.207 | C | C | . | . | trans | -75.8 | 75.7 | 177.8 | 34.1 | -38.6 | 0 | 0 | 0 | 112.5 | S278 N611 D754 R755 L756 | S278-P752 WeakPolarHBondContact O-CD 3.36Å; S278-P752 VanDerWaalsContact O-CG 3.26Å; S278-P752 WeakPolarHBondContact O-CG 3.18Å; N611-P752 WeakPolarHBondContact ND2-CA 3.32Å; P752-D754 PolarHBondContact O-N 3.42Å; P752-D754 VanDerWaalsContact O-N 3.16Å; P752-R755 PolarHBondContact O-N 3.2Å; P752-L756 HydrophobicContact CG-CD1 3.77Å; P752-L756 HydrophobicContact CG-CG 4.15Å; P752-L756 WeakPolarHBondContact O-CG 3.27Å; P752-L756 PolarHBondContact O-N 3.06Å; P752-L756 VanDerWaalsContact O-N 3.08Å | ||
| 753 | L | 73.9 | Confident | 73.4 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -20.8 | -178.6 | -64.1 | -179.6 | 0 | 0 | 0 | 114 | V613 L688 I749 A751 R755 L756 A757 I831 L841 L854 | V613-L753 HydrophobicContact CG2-CD1 3.89Å; L688-L753 HydrophobicContact CD1-CB 3.98Å; L688-L753 HydrophobicContact CD1-CD1 3.53Å; L688-L753 HydrophobicContact CD1-CG 4.21Å; L688-L753 HydrophobicContact CD2-CB 3.86Å; L688-L753 HydrophobicContact CD2-CD1 3.54Å; L688-L753 HydrophobicContact CD2-CG 4.37Å; L688-L753 HydrophobicContact CG-CB 4.37Å; I749-L753 HydrophobicContact CB-CD1 4.19Å; I749-L753 HydrophobicContact CD1-CD1 3.88Å; I749-L753 HydrophobicContact CG1-CD1 4.45Å; I749-L753 HydrophobicContact CG2-CD1 3.95Å; I749-L753 HydrophobicContact CG2-CD2 4.48Å; I749-L753 HydrophobicContact CG2-CG 4.22Å; A751-L753 VanDerWaalsContact C-N 3.32Å; A751-L753 HydrophobicContact CB-CD2 4.35Å; A751-L753 PolarHBondContact O-N 2.9Å; L753-R755 PolarHBondContact O-N 3Å; L753-R755 VanDerWaalsContact O-N 3.13Å; L753-L756 PolarHBondContact O-N 3.42Å; L753-A757 HydrophobicContact CB-CB 4.44Å; L753-A757 WeakPolarHBondContact O-CB 3.46Å; L753-A757 PolarHBondContact O-N 3.05Å; L753-A757 VanDerWaalsContact O-N 3.17Å; L753-I831 HydrophobicContact CD1-CG2 4.38Å; L753-L841 HydrophobicContact CD1-CD2 3.52Å; L753-L841 VanDerWaalsContact CD1-CD2 3.49Å; L753-L841 HydrophobicContact CD2-CD1 4.26Å; L753-L841 HydrophobicContact CD2-CD2 3.68Å; L753-L841 HydrophobicContact CG-CD2 4.24Å; L753-L854 HydrophobicContact CD2-CD1 4.21Å; L753-L854 HydrophobicContact CD2-CD2 3.95Å |
| 754 | D | 69.7 | Low | 73.6 | Confident | 39 Ų | 39 | 30.1 Ų | 30.1 | 21% | 0.209 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.2 | -19 | 172 | 73 | -43.6 | 0 | 0 | 0 | 113.1 | R609 L688 P752 Q779 | R609-D754 IonicContact CZ-OD2 2.88Å; R609-D754 VanDerWaalsContact CZ-OD2 3.32Å; R609-D754 IonicContact NH1-OD1 2.92Å; R609-D754 IonicContact NH1-OD2 3.23Å; R609-D754 PolarHBondContact NH1-OD2 3.02Å; R609-D754 IonicContact NH2-OD2 3.35Å; R609-D754 PolarHBondContact NH2-OD2 3.14Å; L688-D754 HydrophobicContact CD2-CB 4.5Å; P752-D754 PolarHBondContact O-N 3.42Å; P752-D754 VanDerWaalsContact O-N 3.16Å; D754-Q779 PolarHBondContact O-NE2 3.16Å; D754-Q779 VanDerWaalsContact O-NE2 3.1Å; D754-Q779 PolarHBondContact O-OE1 3.4Å |
| 755 | R | 71.1 | Confident | 73.5 | Confident | 65 Ų | 65 | 31.7 Ų | 31.7 | 25% | 0.245 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -116.1 | -29.1 | 177.9 | -61.4 | 179.6 | -172.4 | -174.5 | 2.4 | 113.9 | L275 S278 P752 L753 L781 L785 | L275-R755 HydrophobicContact CD2-CB 4.49Å; S278-R755 VanDerWaalsContact CB-NH1 3.26Å; S278-R755 PolarHBondContact OG-NH1 3.43Å; P752-R755 PolarHBondContact O-N 3.2Å; L753-R755 PolarHBondContact O-N 3Å; L753-R755 VanDerWaalsContact O-N 3.13Å; R755-L781 HydrophobicContact CB-CD1 4.03Å; R755-L781 HydrophobicContact CG-CD1 3.91Å; R755-L781 HydrophobicContact CG-CD2 4.47Å; R755-L785 VanDerWaalsContact O-CD1 3.31Å; R755-L785 WeakPolarHBondContact O-CD1 3.35Å; R755-L785 VanDerWaalsContact O-CD2 3.28Å; R755-L785 WeakPolarHBondContact O-CD2 3.34Å |
| 756 | L | 76.7 | Confident | 73.3 | Confident | 8.33333 Ų | 8.33333 | 32.4 Ų | 32.4 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -98.6 | -17.3 | -172.5 | -64.5 | 178.5 | 0 | 0 | 0 | 113.4 | L275 D279 A751 P752 L753 I758 L785 F788 M789 L854 Q856 | L275-L756 HydrophobicContact CD2-CD2 4.43Å; D279-L756 HydrophobicContact CB-CD1 4.23Å; D279-L756 WeakPolarHBondContact OD1-CD1 3.42Å; A751-L756 HydrophobicContact CB-CD1 4.43Å; P752-L756 HydrophobicContact CG-CD1 3.77Å; P752-L756 HydrophobicContact CG-CG 4.15Å; P752-L756 WeakPolarHBondContact O-CG 3.27Å; P752-L756 PolarHBondContact O-N 3.06Å; P752-L756 VanDerWaalsContact O-N 3.08Å; L753-L756 PolarHBondContact O-N 3.42Å; L756-I758 PolarHBondContact O-N 3.07Å; L756-L785 HydrophobicContact CD2-CD2 3.74Å; L756-F788 HydrophobicContact CD2-CD1 4.11Å; L756-F788 HydrophobicContact CD2-CE1 3.98Å; L756-M789 HydrophobicContact CB-CE 3.71Å; L756-M789 HydrophobicContact CD1-CE 4.45Å; L756-M789 HydrophobicContact CD2-CE 3.83Å; L756-M789 HydrophobicContact CG-CE 4.22Å; L756-M789 VanDerWaalsContact O-CE 3.3Å; L756-M789 WeakPolarHBondContact O-CE 3.31Å; L756-L854 HydrophobicContact CB-CD1 4.37Å; L756-L854 HydrophobicContact CD1-CD1 3.79Å; L756-Q856 PolarHBondContact O-NE2 3.11Å |
| 757 | A | 79.7 | Confident | 72.8 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | trans | -69.4 | 129.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L688 L753 I831 | L688-A757 HydrophobicContact CD1-CB 3.9Å; L753-A757 HydrophobicContact CB-CB 4.44Å; L753-A757 WeakPolarHBondContact O-CB 3.46Å; L753-A757 PolarHBondContact O-N 3.05Å; L753-A757 VanDerWaalsContact O-N 3.17Å; A757-I831 HydrophobicContact CB-CD1 4.07Å | ||
| 758 | I | 80.4 | Confident | 72.2 | Confident | 4.66667 Ų | 4.66667 | 30.9 Ų | 30.9 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | trans | -90 | 131.5 | 179.4 | -58.8 | 177.6 | 0 | 0 | 0 | 108.6 | L756 H760 F771 L776 M789 T839 I858 W906 | L756-I758 PolarHBondContact O-N 3.07Å; I758-H760 VanDerWaalsContact CG2-NE2 3.32Å; I758-H760 WeakPolarHBondContact CG2-NE2 3.03Å; I758-F771 HydrophobicContact CG2-CZ 4.21Å; I758-L776 HydrophobicContact CG2-CD1 4.33Å; I758-L776 HydrophobicContact CG2-CD2 3.86Å; I758-L776 VanDerWaalsContact CG2-CD2 3.47Å; I758-M789 HydrophobicContact CD1-CE 3.77Å; I758-M789 HydrophobicContact CD1-SD 4.07Å; I758-M789 HydrophobicContact CG1-CE 3.93Å; I758-T839 PolarHBondContact O-OG1 3.08Å; I758-I858 HydrophobicContact CB-CD1 4.08Å; I758-I858 HydrophobicContact CD1-CD1 4.46Å; I758-I858 HydrophobicContact CG2-CD1 3.61Å; I758-W906 HydrophobicContact CD1-CB 3.62Å; I758-W906 VanDerWaalsContact CD1-CD1 3.44Å; I758-W906 HydrophobicContact CD1-CD2 3.04Å; I758-W906 HydrophobicContact CD1-CE3 3.35Å; I758-W906 VanDerWaalsContact CD1-CE3 3.44Å; I758-W906 HydrophobicContact CD1-CG 3.18Å; I758-W906 HydrophobicContact CD1-CH2 4.36Å; I758-W906 HydrophobicContact CD1-CZ2 4.18Å; I758-W906 HydrophobicContact CD1-CZ3 4.04Å; I758-W906 HydrophobicContact CG1-CD2 4.45Å | ||
| 759 | R | 79.4 | Confident | 71.5 | Confident | 48.6667 Ų | 48.6667 | 28.5 Ų | 28.5 | 18% | 0.184 | 16% | 0.159 | C | C | . | . | trans | -132.4 | 95.5 | -172.4 | -61 | -179.4 | -176.4 | 177.2 | -1.1 | 109.6 | E685 L776 D777 Q779 Y832 | E685-R759 IonicContact OE2-CZ 3.88Å; E685-R759 VanDerWaalsContact OE2-CZ 3.25Å; E685-R759 IonicContact OE2-NH1 3.67Å; E685-R759 PolarHBondContact OE2-NH1 3.09Å; E685-R759 IonicContact OE2-NH2 3.52Å; E685-R759 PolarHBondContact OE2-NH2 3.11Å; R759-L776 VanDerWaalsContact O-CA 3.3Å; R759-L776 WeakPolarHBondContact O-CA 3.27Å; R759-L776 WeakPolarHBondContact O-CD2 3.31Å; R759-D777 HydrophobicContact CB-CB 4.1Å; R759-D777 PolarHBondContact O-N 2.94Å; R759-Q779 VanDerWaalsContact CZ-NE2 3.34Å; R759-Y832 HydrophobicContact CB-CD1 4.45Å; R759-Y832 HydrophobicContact CB-CD2 4.08Å; R759-Y832 HydrophobicContact CB-CE1 4.39Å; R759-Y832 HydrophobicContact CB-CE2 3.87Å; R759-Y832 HydrophobicContact CB-CG 4.33Å; R759-Y832 HydrophobicContact CG-CD2 3.72Å; R759-Y832 HydrophobicContact CG-CE2 3.96Å; R759-Y832 HydrophobicContact CG-CG 4.12Å | ||
| 760 | H | 76.3 | Confident | 70.7 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -79.4 | 128.6 | 173.9 | -76.4 | -74.4 | 0 | 0 | 0 | 111 | I758 F771 E775 Y832 F837 I858 Y860 E904 | I758-H760 VanDerWaalsContact CG2-NE2 3.32Å; I758-H760 WeakPolarHBondContact CG2-NE2 3.03Å; H760-F771 AromaticContact CE1-CD2 3.47Å; H760-F771 VanDerWaalsContact CE1-CD2 3.47Å; H760-F771 WeakPolarHBondContact CE1-CD2 3.14Å; H760-F771 AromaticContact CE1-CE1 3.6Å; H760-F771 AromaticContact CE1-CE2 3.43Å; H760-F771 WeakPolarHBondContact CE1-CE2 2.88Å; H760-F771 AromaticContact CE1-CG 3.99Å; H760-F771 AromaticContact CE1-CZ 3.45Å; H760-F771 WeakPolarHBondContact CE1-CZ 3.49Å; H760-F771 AromaticContact ND1-CE1 3.41Å; H760-F771 WeakPolarHBondContact ND1-CE1 3.41Å; H760-F771 AromaticContact ND1-CE2 3.66Å; H760-F771 AromaticContact ND1-CZ 3.22Å; H760-F771 WeakPolarHBondContact ND1-CZ 3.46Å; H760-F771 AromaticContact NE2-CE2 3.7Å; H760-F771 AromaticContact NE2-CZ 3.92Å; H760-E775 WeakPolarHBondContact CA-O 3.39Å; H760-E775 IonicContact CE1-OE2 3.03Å; H760-E775 PolarHBondContact ND1-O 3.22Å; H760-Y832 VanDerWaalsContact O-CE1 3.27Å; H760-Y832 WeakPolarHBondContact O-CE1 3.41Å; H760-Y832 PolarHBondContact O-OH 3.28Å; H760-F837 HydrophobicContact CB-CB 4.21Å; H760-F837 HydrophobicContact CB-CD1 3.67Å; H760-F837 HydrophobicContact CB-CD2 4.39Å; H760-F837 HydrophobicContact CB-CE1 4.1Å; H760-F837 HydrophobicContact CB-CG 3.97Å; H760-I858 VanDerWaalsContact NE2-CD1 3.34Å; H760-I858 WeakPolarHBondContact NE2-CD1 3.33Å; H760-Y860 PolarHBondContact CE1-OH 2.74Å; H760-Y860 PolarHBondContact ND1-OH 3.5Å; H760-E904 IonicContact NE2-OE2 3.67Å |
| 761 | T | 70.4 | Confident | 70.2 | Confident | 72.6667 Ų | 72.6667 | 26.9 Ų | 26.9 | 45% | 0.446 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -111 | -16.8 | 174.9 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | E775 D777 Y832 | T761-E775 PolarHBondContact N-O 3.23Å; T761-E775 PolarHBondContact OG1-O 3.16Å; T761-D777 HydrophobicContact CG2-CB 4.06Å; T761-Y832 WeakPolarHBondContact CG2-OH 3.4Å |
| 762 | S | 72.4 | Confident | 69.5 | Low | 50.6667 Ų | 50.6667 | 29.3 Ų | 29.3 | 35% | 0.354 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -151.6 | 162.2 | -179.8 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | K774 | S762-K774 PolarHBondContact OG-O 2.86Š|
| 763 | F | 71.3 | Confident | 68.7 | Low | 25.6667 Ų | 25.6667 | 30.6 Ų | 30.6 | 11% | 0.113 | 17% | 0.17 | C | C | . | . | trans | -66.8 | 145.2 | 172.2 | -102 | -87.4 | 0 | 0 | 0 | 111 | V765 W795 F837 Y860 P861 V863 C886 L888 | F763-V765 PolarHBondContact O-N 3.13Å; F763-W795 HydrophobicContact CE1-CH2 4.31Å; F763-W795 AromaticContact CE2-CH2 3.7Å; F763-W795 HydrophobicContact CE2-CH2 3.7Å; F763-W795 HydrophobicContact CE2-CZ2 4.13Å; F763-W795 AromaticContact CZ-CH2 3.27Å; F763-W795 HydrophobicContact CZ-CH2 3.27Å; F763-W795 AromaticContact CZ-CZ2 3.5Å; F763-W795 HydrophobicContact CZ-CZ2 3.5Å; F763-W795 VanDerWaalsContact CZ-CZ2 3.5Å; F763-W795 HydrophobicContact CZ-CZ3 4.5Å; F763-F837 HydrophobicContact CD1-CE1 4.48Å; F763-F837 HydrophobicContact CD1-CZ 4.36Å; F763-F837 AromaticContact CD2-CZ 3.9Å; F763-F837 HydrophobicContact CD2-CZ 3.9Å; F763-F837 HydrophobicContact CE1-CE1 4.4Å; F763-F837 HydrophobicContact CE1-CZ 4.29Å; F763-F837 HydrophobicContact CE2-CE1 4.45Å; F763-F837 HydrophobicContact CE2-CE2 4.42Å; F763-F837 AromaticContact CE2-CZ 3.8Å; F763-F837 HydrophobicContact CE2-CZ 3.8Å; F763-F837 HydrophobicContact CG-CZ 4.26Å; F763-F837 HydrophobicContact CZ-CE1 4.47Å; F763-F837 HydrophobicContact CZ-CZ 4.14Å; F763-Y860 AromaticContact CD1-CD1 3.74Å; F763-Y860 HydrophobicContact CD1-CD1 3.9Å; F763-Y860 HydrophobicContact CD1-CE1 4.35Å; F763-Y860 AromaticContact CD2-CD1 3.91Å; F763-Y860 HydrophobicContact CD2-CD1 3.91Å; F763-Y860 AromaticContact CD2-CE1 3.98Å; F763-Y860 HydrophobicContact CD2-CE1 3.98Å; F763-Y860 AromaticContact CE1-CD1 3.72Å; F763-Y860 HydrophobicContact CE1-CD1 3.72Å; F763-Y860 HydrophobicContact CE1-CE1 4.41Å; F763-Y860 AromaticContact CE2-CD1 3.83Å; F763-Y860 HydrophobicContact CE2-CD1 3.83Å; F763-Y860 AromaticContact CE2-CE1 3.87Å; F763-Y860 HydrophobicContact CE2-CE1 3.87Å; F763-Y860 HydrophobicContact CZ-CD1 4.28Å; F763-P861 HydrophobicContact CE1-CG 4.33Å; F763-P861 HydrophobicContact CE2-CG 4.12Å; F763-P861 HydrophobicContact CZ-CB 3.91Å; F763-P861 HydrophobicContact CZ-CG 3.75Å; F763-V863 HydrophobicContact CD1-CG1 4.45Å; F763-V863 HydrophobicContact CD1-CG2 4.27Å; F763-V863 HydrophobicContact CD2-CG2 4.47Å; F763-V863 HydrophobicContact CE1-CB 4.22Å; F763-V863 HydrophobicContact CE1-CG1 4.12Å; F763-V863 HydrophobicContact CE1-CG2 3.63Å; F763-V863 VanDerWaalsContact CE1-CG2 3.47Å; F763-V863 HydrophobicContact CE2-CG1 4.33Å; F763-V863 HydrophobicContact CE2-CG2 4.16Å; F763-V863 HydrophobicContact CZ-CB 4.37Å; F763-V863 HydrophobicContact CZ-CG1 4.17Å; F763-V863 HydrophobicContact CZ-CG2 3.71Å; F763-C886 HydrophobicContact CD1-CB 4.02Å; F763-C886 HydrophobicContact CE1-CB 3.76Å; F763-C886 VanDerWaalsContact CE1-SG 3.59Å; F763-C886 HydrophobicContact CG-CB 4.33Å; F763-C886 HydrophobicContact CZ-CB 4.29Å; F763-L888 HydrophobicContact CD2-CD1 4.13Å; F763-L888 HydrophobicContact CD2-CG 4.22Å; F763-L888 HydrophobicContact CE2-CD1 4.13Å; F763-L888 HydrophobicContact CE2-CD2 3.59Å; F763-L888 VanDerWaalsContact CE2-CD2 3.5Å; F763-L888 HydrophobicContact CE2-CG 3.59Å; F763-L888 VanDerWaalsContact CE2-CG 3.47Å; F763-L888 HydrophobicContact CZ-CD2 4.21Å; F763-L888 HydrophobicContact CZ-CG 4.49Å | ||
| 764 | P | 65.9 | Low | 67.8 | Low | 4.33333 Ų | 4.33333 | 38.2 Ų | 38.2 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | trans | -64.7 | 135.1 | 176.4 | 24.5 | -31 | 0 | 0 | 0 | 111.2 | N766 F771 W795 | P764-N766 PolarHBondContact O-N 3.03Å; P764-N766 VanDerWaalsContact O-N 3.1Å; P764-F771 HydrophobicContact CB-CD1 3.65Å; P764-F771 HydrophobicContact CB-CE1 3.37Å; P764-F771 HydrophobicContact CB-CG 4.45Å; P764-F771 HydrophobicContact CB-CZ 3.95Å; P764-F771 VanDerWaalsContact CD-CE1 3.45Å; P764-F771 HydrophobicContact CG-CD1 4.36Å; P764-F771 HydrophobicContact CG-CE1 3.6Å; P764-F771 HydrophobicContact CG-CZ 3.76Å; P764-W795 HydrophobicContact CG-CH2 4.42Å; P764-W795 HydrophobicContact CG-CZ2 3.97Å | ||
| 765 | V | 62.3 | Low | 67.4 | Low | 76.6667 Ų | 76.6667 | 37.6 Ų | 37.6 | 47% | 0.465 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -61.6 | -28.5 | 178.5 | 179.1 | 0 | 0 | 0 | 0 | 112 | L257 F763 H772 E775 E883 | L257-V765 HydrophobicContact CD2-CG1 4.05Å; F763-V765 PolarHBondContact O-N 3.13Å; V765-H772 HydrophobicContact CB-CB 4.21Å; V765-H772 HydrophobicContact CG2-CB 4.22Å; V765-E775 WeakPolarHBondContact CB-OE1 2.88Å; V765-E775 WeakPolarHBondContact CG2-OE1 3.19Å; V765-E775 PolarHBondContact N-OE1 2.94Å; V765-E883 HydrophobicContact CG1-CG 4.12Å |
| 766 | N | 65 | Low | 66.8 | Low | 31 Ų | 31 | 35.5 Ų | 35.5 | 17% | 0.166 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -126.9 | 115.6 | 170.7 | -177.1 | -17.3 | 0 | 0 | 0 | 109.7 | P764 L768 A769 | P764-N766 PolarHBondContact O-N 3.03Å; P764-N766 VanDerWaalsContact O-N 3.1Å; N766-L768 VanDerWaalsContact C-N 3.26Å; N766-L768 PolarHBondContact O-N 3.01Å; N766-L768 VanDerWaalsContact O-N 3.13Å; N766-L768 WeakPolarHBondContact OD1-CB 3.24Å; N766-L768 PolarHBondContact OD1-N 3.18Å; N766-A769 HydrophobicContact CB-CB 4.03Å; N766-A769 PolarHBondContact O-N 3.16Å; N766-A769 VanDerWaalsContact O-N 3.07Å; N766-A769 PolarHBondContact OD1-N 2.95Å |
| 767 | P | 67.3 | Low | 65.8 | Low | 0.333333 Ų | 0.333333 | 39.3 Ų | 39.3 | 0% | 0.002 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.1 | -178.6 | 27.3 | -36.1 | 0 | 0 | 0 | 113.9 | R793 W795 F869 I873 I884 F1135 | P767-R793 PolarHBondContact O-NH1 3.4Å; P767-W795 HydrophobicContact CB-CH2 4.3Å; P767-W795 HydrophobicContact CB-CZ2 3.55Å; P767-W795 VanDerWaalsContact CB-CZ2 3.41Å; P767-W795 PolarHBondContact O-NE1 3.12Å; P767-F869 HydrophobicContact CB-CZ 4.19Å; P767-F869 HydrophobicContact CG-CE2 4.23Å; P767-F869 HydrophobicContact CG-CZ 3.97Å; P767-I873 HydrophobicContact CG-CG1 4.33Å; P767-I884 HydrophobicContact CG-CB 4.16Å; P767-I884 HydrophobicContact CG-CD1 3.74Å; P767-I884 HydrophobicContact CG-CG1 4.43Å; P767-I884 HydrophobicContact CG-CG2 3.96Å; P767-F1135 HydrophobicContact CB-CZ 4.34Å |
| 768 | L | 63.9 | Low | 64.4 | Low | 15.6667 Ų | 15.6667 | 47.9 Ų | 47.9 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -20.2 | 176.5 | -62.1 | 175.8 | 0 | 0 | 0 | 113.5 | E228 N766 I873 S876 R877 I884 V1129 V1133 F1135 | E228-L768 HydrophobicContact CG-CB 3.99Å; N766-L768 VanDerWaalsContact C-N 3.26Å; N766-L768 PolarHBondContact O-N 3.01Å; N766-L768 VanDerWaalsContact O-N 3.13Å; N766-L768 WeakPolarHBondContact OD1-CB 3.24Å; N766-L768 PolarHBondContact OD1-N 3.18Å; L768-I873 HydrophobicContact CD1-CG1 4.49Å; L768-I873 HydrophobicContact CD1-CG2 4.31Å; L768-I873 HydrophobicContact CD2-CG2 4.21Å; L768-S876 VanDerWaalsContact CD1-OG 3.23Å; L768-S876 WeakPolarHBondContact CD1-OG 3.06Å; L768-R877 HydrophobicContact CD1-CG 4.05Å; L768-I884 HydrophobicContact CD1-CD1 4.38Å; L768-V1129 WeakPolarHBondContact O-CG1 3.38Å; L768-V1133 HydrophobicContact CD2-CB 4.26Å; L768-V1133 HydrophobicContact CD2-CG1 4.41Å; L768-V1133 HydrophobicContact CD2-CG2 4.45Å; L768-F1135 HydrophobicContact CD2-CD2 4.47Å; L768-F1135 HydrophobicContact CD2-CE2 3.6Å; L768-F1135 VanDerWaalsContact CD2-CE2 3.4Å; L768-F1135 HydrophobicContact CD2-CZ 3.81Å; L768-F1135 HydrophobicContact CG-CZ 4.39Å |
| 769 | A | 61.3 | Low | 63.2 | Low | 22.6667 Ų | 22.6667 | 50.9 Ų | 50.9 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -95.4 | 146.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | N766 F771 R793 | N766-A769 HydrophobicContact CB-CB 4.03Å; N766-A769 PolarHBondContact O-N 3.16Å; N766-A769 VanDerWaalsContact O-N 3.07Å; N766-A769 PolarHBondContact OD1-N 2.95Å; A769-F771 PolarHBondContact O-N 3.26Å; A769-R793 PolarHBondContact O-NH1 3.25Å |
| 770 | P | 59 | Low | 61.7 | Low | 38.3333 Ų | 38.3333 | 53.5 Ų | 53.5 | 25% | 0.249 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -62.9 | 137.3 | 168.8 | 22.8 | -28.1 | 0 | 0 | 0 | 110.4 | C145 E228 C786 F791 W906 | C145-P770 HydrophobicContact CB-CB 3.45Å; C145-P770 VanDerWaalsContact CB-CB 3.45Å; C145-P770 HydrophobicContact CB-CG 4.24Å; E228-P770 WeakPolarHBondContact OE2-CD 3.5Å; P770-C786 HydrophobicContact CB-CB 3.96Å; P770-F791 HydrophobicContact CB-CD1 4.33Å; P770-F791 HydrophobicContact CB-CD2 4.31Å; P770-F791 HydrophobicContact CB-CE1 3.94Å; P770-F791 HydrophobicContact CB-CE2 4.21Å; P770-F791 HydrophobicContact CB-CG 4.39Å; P770-F791 HydrophobicContact CB-CZ 4.08Å; P770-F791 HydrophobicContact CG-CD1 4.14Å; P770-F791 HydrophobicContact CG-CE1 3.93Å; P770-F791 HydrophobicContact CG-CE2 4.47Å; P770-F791 HydrophobicContact CG-CZ 4.11Å; P770-W906 HydrophobicContact CB-CH2 3.64Å; P770-W906 HydrophobicContact CB-CZ2 3.57Å; P770-W906 HydrophobicContact CG-CH2 4.25Å |
| 771 | F | 62.1 | Low | 60.7 | Low | 11.6667 Ų | 11.6667 | 55.4 Ų | 55.4 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -62.5 | 140.2 | -178.7 | -96.8 | -85.3 | 0 | 0 | 0 | 113.9 | C145 I758 H760 P764 A769 P773 E775 L776 C782 C786 F791 Y860 W906 | C145-F771 PolarHBondContact SG-O 3.27Å; I758-F771 HydrophobicContact CG2-CZ 4.21Å; H760-F771 AromaticContact CE1-CD2 3.47Å; H760-F771 VanDerWaalsContact CE1-CD2 3.47Å; H760-F771 WeakPolarHBondContact CE1-CD2 3.14Å; H760-F771 AromaticContact CE1-CE1 3.6Å; H760-F771 AromaticContact CE1-CE2 3.43Å; H760-F771 WeakPolarHBondContact CE1-CE2 2.88Å; H760-F771 AromaticContact CE1-CG 3.99Å; H760-F771 AromaticContact CE1-CZ 3.45Å; H760-F771 WeakPolarHBondContact CE1-CZ 3.49Å; H760-F771 AromaticContact ND1-CE1 3.41Å; H760-F771 WeakPolarHBondContact ND1-CE1 3.41Å; H760-F771 AromaticContact ND1-CE2 3.66Å; H760-F771 AromaticContact ND1-CZ 3.22Å; H760-F771 WeakPolarHBondContact ND1-CZ 3.46Å; H760-F771 AromaticContact NE2-CE2 3.7Å; H760-F771 AromaticContact NE2-CZ 3.92Å; P764-F771 HydrophobicContact CB-CD1 3.65Å; P764-F771 HydrophobicContact CB-CE1 3.37Å; P764-F771 HydrophobicContact CB-CG 4.45Å; P764-F771 HydrophobicContact CB-CZ 3.95Å; P764-F771 VanDerWaalsContact CD-CE1 3.45Å; P764-F771 HydrophobicContact CG-CD1 4.36Å; P764-F771 HydrophobicContact CG-CE1 3.6Å; P764-F771 HydrophobicContact CG-CZ 3.76Å; A769-F771 PolarHBondContact O-N 3.26Å; F771-P773 HydrophobicContact CE1-CG 4.46Å; F771-E775 HydrophobicContact CD1-CB 4.22Å; F771-E775 WeakPolarHBondContact CD1-OE2 3.47Å; F771-E775 HydrophobicContact CD2-CB 4.41Å; F771-E775 HydrophobicContact CE2-CB 3.83Å; F771-E775 HydrophobicContact CZ-CB 4.44Å; F771-L776 HydrophobicContact CB-CD1 4.12Å; F771-L776 HydrophobicContact CB-CD2 4.35Å; F771-L776 HydrophobicContact CB-CG 4.13Å; F771-L776 HydrophobicContact CE1-CD1 4.43Å; F771-L776 HydrophobicContact CE2-CD1 3.82Å; F771-L776 HydrophobicContact CE2-CD2 4.14Å; F771-L776 HydrophobicContact CE2-CG 3.59Å; F771-L776 HydrophobicContact CZ-CB 4.45Å; F771-L776 HydrophobicContact CZ-CD1 3.46Å; F771-L776 VanDerWaalsContact CZ-CD1 3.46Å; F771-L776 HydrophobicContact CZ-CG 3.52Å; F771-C782 HydrophobicContact CD2-CB 4.38Å; F771-C782 HydrophobicContact CE2-CB 4.49Å; F771-C786 HydrophobicContact CD1-CB 3.53Å; F771-C786 WeakPolarHBondContact CD1-SG 3.47Å; F771-C786 HydrophobicContact CE1-CB 3.77Å; F771-C786 WeakPolarHBondContact CE1-SG 3.48Å; F771-C786 HydrophobicContact CG-CB 4.37Å; F771-C786 VanDerWaalsContact CZ-SG 3.55Å; F771-F791 HydrophobicContact CB-CE1 4.14Å; F771-F791 HydrophobicContact CB-CE2 4.39Å; F771-F791 HydrophobicContact CB-CZ 3.93Å; F771-Y860 WeakPolarHBondContact CE2-OH 3.37Å; F771-Y860 HydrophobicContact CZ-CE1 4.43Å; F771-Y860 WeakPolarHBondContact CZ-OH 3.2Å; F771-W906 HydrophobicContact CB-CH2 4.45Å; F771-W906 HydrophobicContact CD2-CH2 4.06Å; F771-W906 AromaticContact CD2-CZ2 3.99Å; F771-W906 HydrophobicContact CD2-CZ2 4.25Å; F771-W906 HydrophobicContact CE2-CH2 4.08Å; F771-W906 HydrophobicContact CE2-CZ2 4.2Å; F771-W906 HydrophobicContact CG-CH2 4.07Å; F771-W906 HydrophobicContact CG-CZ2 4.38Å |
| 772 | H | 58.4 | Low | 60 | Low | 57 Ų | 57 | 52.4 Ų | 52.4 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | trans | -83.6 | 139.4 | 172.5 | -168.5 | -85.2 | 0 | 0 | 0 | 110.6 | T259 V765 K774 E775 L776 | T259-H772 WeakPolarHBondContact CG2-NE2 3.39Å; V765-H772 HydrophobicContact CB-CB 4.21Å; V765-H772 HydrophobicContact CG2-CB 4.22Å; H772-K774 WeakPolarHBondContact ND1-CB 3.43Å; H772-K774 PolarHBondContact ND1-N 3.26Å; H772-K774 VanDerWaalsContact ND1-N 3.17Å; H772-K774 PolarHBondContact O-N 3.2Å; H772-K774 VanDerWaalsContact O-N 3.08Å; H772-E775 HydrophobicContact CB-CG 4.23Å; H772-E775 WeakPolarHBondContact CB-OE1 3.38Å; H772-E775 PolarHBondContact N-OE1 3.3Å; H772-E775 PolarHBondContact N-OE2 2.98Å; H772-E775 VanDerWaalsContact N-OE2 3.08Å; H772-E775 WeakPolarHBondContact O-CA 3.06Å; H772-E775 VanDerWaalsContact O-CB 3.31Å; H772-E775 WeakPolarHBondContact O-CB 3.38Å; H772-E775 WeakPolarHBondContact O-CG 3.39Å; H772-E775 PolarHBondContact O-N 3.01Å; H772-L776 PolarHBondContact O-N 3.42Å; H772-L776 VanDerWaalsContact O-N 3.15Å | ||
| 773 | P | 55.2 | Low | 59.4 | Low | 58.3333 Ų | 58.3333 | 51.6 Ų | 51.6 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -54 | -23.2 | -179.1 | -14.4 | 14.4 | 0 | 0 | 0 | 115.8 | Y144 F771 E775 L776 D777 C782 | Y144-P773 HydrophobicContact CE1-CG 4.04Å; Y144-P773 HydrophobicContact CE2-CG 4.42Å; F771-P773 HydrophobicContact CE1-CG 4.46Å; P773-E775 VanDerWaalsContact C-N 3.26Å; P773-E775 PolarHBondContact O-N 3.13Å; P773-L776 WeakPolarHBondContact O-CB 3.17Å; P773-L776 PolarHBondContact O-N 2.96Å; P773-D777 PolarHBondContact O-N 3.34Å; P773-C782 HydrophobicContact CB-CB 4.42Å |
| 774 | K | 57 | Low | 59.1 | Low | 160.667 Ų | 160.667 | 51.2 Ų | 51.2 | 70% | 0.699 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -77.7 | -17.3 | 175.8 | -63.2 | 179.7 | -177.1 | 177.2 | 0 | 113.8 | S762 H772 | S762-K774 PolarHBondContact OG-O 2.86Å; H772-K774 WeakPolarHBondContact ND1-CB 3.43Å; H772-K774 PolarHBondContact ND1-N 3.26Å; H772-K774 VanDerWaalsContact ND1-N 3.17Å; H772-K774 PolarHBondContact O-N 3.2Å; H772-K774 VanDerWaalsContact O-N 3.08Å |
| 775 | E | 60.4 | Low | 59.4 | Low | 25.6667 Ų | 25.6667 | 51.4 Ų | 51.4 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -81.1 | -19.4 | 177.5 | -64.5 | 170.5 | -176.1 | 0 | 0 | 112 | H760 T761 V765 F771 H772 P773 R793 | H760-E775 WeakPolarHBondContact CA-O 3.39Å; H760-E775 IonicContact CE1-OE2 3.03Å; H760-E775 PolarHBondContact ND1-O 3.22Å; T761-E775 PolarHBondContact N-O 3.23Å; T761-E775 PolarHBondContact OG1-O 3.16Å; V765-E775 WeakPolarHBondContact CB-OE1 2.88Å; V765-E775 WeakPolarHBondContact CG2-OE1 3.19Å; V765-E775 PolarHBondContact N-OE1 2.94Å; F771-E775 HydrophobicContact CD1-CB 4.22Å; F771-E775 WeakPolarHBondContact CD1-OE2 3.47Å; F771-E775 HydrophobicContact CD2-CB 4.41Å; F771-E775 HydrophobicContact CE2-CB 3.83Å; F771-E775 HydrophobicContact CZ-CB 4.44Å; H772-E775 HydrophobicContact CB-CG 4.23Å; H772-E775 WeakPolarHBondContact CB-OE1 3.38Å; H772-E775 PolarHBondContact N-OE1 3.3Å; H772-E775 PolarHBondContact N-OE2 2.98Å; H772-E775 VanDerWaalsContact N-OE2 3.08Å; H772-E775 WeakPolarHBondContact O-CA 3.06Å; H772-E775 VanDerWaalsContact O-CB 3.31Å; H772-E775 WeakPolarHBondContact O-CB 3.38Å; H772-E775 WeakPolarHBondContact O-CG 3.39Å; H772-E775 PolarHBondContact O-N 3.01Å; P773-E775 VanDerWaalsContact C-N 3.26Å; P773-E775 PolarHBondContact O-N 3.13Å; E775-R793 IonicContact OE2-CZ 3.39Å; E775-R793 IonicContact OE2-NH2 2.86Å; E775-R793 PolarHBondContact OE2-NH2 2.98Å |
| 776 | L | 59.4 | Low | 59.6 | Low | 21.3333 Ų | 21.3333 | 48.7 Ų | 48.7 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 146.2 | 176.1 | -67.4 | 164.5 | 0 | 0 | 0 | 110.7 | I758 R759 F771 H772 P773 Q779 C782 | I758-L776 HydrophobicContact CG2-CD1 4.33Å; I758-L776 HydrophobicContact CG2-CD2 3.86Å; I758-L776 VanDerWaalsContact CG2-CD2 3.47Å; R759-L776 VanDerWaalsContact O-CA 3.3Å; R759-L776 WeakPolarHBondContact O-CA 3.27Å; R759-L776 WeakPolarHBondContact O-CD2 3.31Å; F771-L776 HydrophobicContact CB-CD1 4.12Å; F771-L776 HydrophobicContact CB-CD2 4.35Å; F771-L776 HydrophobicContact CB-CG 4.13Å; F771-L776 HydrophobicContact CE1-CD1 4.43Å; F771-L776 HydrophobicContact CE2-CD1 3.82Å; F771-L776 HydrophobicContact CE2-CD2 4.14Å; F771-L776 HydrophobicContact CE2-CG 3.59Å; F771-L776 HydrophobicContact CZ-CB 4.45Å; F771-L776 HydrophobicContact CZ-CD1 3.46Å; F771-L776 VanDerWaalsContact CZ-CD1 3.46Å; F771-L776 HydrophobicContact CZ-CG 3.52Å; H772-L776 PolarHBondContact O-N 3.42Å; H772-L776 VanDerWaalsContact O-N 3.15Å; P773-L776 WeakPolarHBondContact O-CB 3.17Å; P773-L776 PolarHBondContact O-N 2.96Å; L776-Q779 CarbonylContact O-C 3.59Å; L776-Q779 VanDerWaalsContact O-C 3.31Å; L776-C782 HydrophobicContact CB-CB 4.12Å; L776-C782 VanDerWaalsContact CB-SG 3.52Å; L776-C782 HydrophobicContact CD1-CB 3.89Å; L776-C782 HydrophobicContact CD2-CB 3.67Å; L776-C782 HydrophobicContact CG-CB 4.48Å |
| 777 | D | 54.6 | Low | 59.8 | Low | 89.3333 Ų | 89.3333 | 52.6 Ų | 52.6 | 48% | 0.478 | 28% | 0.276 | S | S | . | . | trans | -56.3 | 143.9 | 174.8 | -114.3 | -12.5 | 0 | 0 | 0 | 111.8 | R759 T761 P773 Q779 C782 | R759-D777 HydrophobicContact CB-CB 4.1Å; R759-D777 PolarHBondContact O-N 2.94Å; T761-D777 HydrophobicContact CG2-CB 4.06Å; P773-D777 PolarHBondContact O-N 3.34Å; D777-Q779 PolarHBondContact O-N 3Å; D777-C782 PolarHBondContact O-SG 2.85Å | ||
| 778 | E | 51.2 | Low | 60.1 | Low | 188.667 Ų | 188.667 | 54.6 Ų | 54.6 | 88% | 0.882 | 28% | 0.284 | S | S | * | . | trans | -66 | 20 | -172.6 | -63 | -169.7 | 158.4 | 0 | 0 | 115.4 | ||||
| 779 | Q | 53.6 | Low | 60.7 | Low | 68.3333 Ų | 68.3333 | 54.1 Ų | 54.1 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | trans | -97.4 | 117.1 | 175.5 | -64.2 | -165.3 | -2.2 | 0 | 0 | 110.5 | D754 R759 L776 D777 L781 C782 | D754-Q779 PolarHBondContact O-NE2 3.16Å; D754-Q779 VanDerWaalsContact O-NE2 3.1Å; D754-Q779 PolarHBondContact O-OE1 3.4Å; R759-Q779 VanDerWaalsContact CZ-NE2 3.34Å; L776-Q779 CarbonylContact O-C 3.59Å; L776-Q779 VanDerWaalsContact O-C 3.31Å; D777-Q779 PolarHBondContact O-N 3Å; Q779-L781 PolarHBondContact O-N 3.26Å; Q779-C782 WeakPolarHBondContact O-CB 3.36Å; Q779-C782 PolarHBondContact O-N 2.94Å; Q779-C782 PolarHBondContact O-SG 2.8Å; Q779-C782 VanDerWaalsContact O-SG 3.4Å | ||
| 780 | P | 49.6 | Very low | 61.4 | Low | 102.667 Ų | 102.667 | 56.2 Ų | 56.2 | 67% | 0.667 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -0.7 | -178 | 25.5 | -34.7 | 0 | 0 | 0 | 114.2 | S783 | P780-S783 PolarHBondContact O-OG 3.48Š|
| 781 | L | 54.9 | Low | 62.5 | Low | 41.6667 Ų | 41.6667 | 55.2 Ų | 55.2 | 22% | 0.218 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -16.1 | -179.2 | -73.8 | 155.3 | 0 | 0 | 0 | 113.7 | Q271 L275 R755 Q779 S783 G784 L785 | Q271-L781 HydrophobicContact CB-CD2 4.49Å; L275-L781 HydrophobicContact CD2-CD1 4.15Å; L275-L781 HydrophobicContact CD2-CD2 4.17Å; L275-L781 HydrophobicContact CG-CD2 4.32Å; R755-L781 HydrophobicContact CB-CD1 4.03Å; R755-L781 HydrophobicContact CG-CD1 3.91Å; R755-L781 HydrophobicContact CG-CD2 4.47Å; Q779-L781 PolarHBondContact O-N 3.26Å; L781-S783 VanDerWaalsContact C-N 3.29Å; L781-S783 PolarHBondContact O-N 3.13Å; L781-G784 WeakPolarHBondContact O-CA 3.07Å; L781-G784 PolarHBondContact O-N 3.26Å; L781-G784 VanDerWaalsContact O-N 3.11Å; L781-L785 WeakPolarHBondContact O-CG 3.25Å; L781-L785 PolarHBondContact O-N 3.15Å |
| 782 | C | 56 | Low | 63.4 | Low | 10 Ų | 10 | 56.8 Ų | 56.8 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -36 | -175.1 | -68.1 | 0 | 0 | 0 | 0 | 113.1 | F771 P773 L776 D777 Q779 G784 L785 C786 | F771-C782 HydrophobicContact CD2-CB 4.38Å; F771-C782 HydrophobicContact CE2-CB 4.49Å; P773-C782 HydrophobicContact CB-CB 4.42Å; L776-C782 HydrophobicContact CB-CB 4.12Å; L776-C782 VanDerWaalsContact CB-SG 3.52Å; L776-C782 HydrophobicContact CD1-CB 3.89Å; L776-C782 HydrophobicContact CD2-CB 3.67Å; L776-C782 HydrophobicContact CG-CB 4.48Å; D777-C782 PolarHBondContact O-SG 2.85Å; Q779-C782 WeakPolarHBondContact O-CB 3.36Å; Q779-C782 PolarHBondContact O-N 2.94Å; Q779-C782 PolarHBondContact O-SG 2.8Å; Q779-C782 VanDerWaalsContact O-SG 3.4Å; C782-G784 VanDerWaalsContact C-N 3.31Å; C782-G784 PolarHBondContact O-N 3.25Å; C782-L785 PolarHBondContact O-N 3.39Å; C782-C786 PolarHBondContact O-N 3.12Å; C782-C786 PolarHBondContact O-SG 3.15Å; C782-C786 VanDerWaalsContact O-SG 3.33Å |
| 783 | S | 58.8 | Low | 64.6 | Low | 33.6667 Ų | 33.6667 | 54.1 Ų | 54.1 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -29.9 | 175.8 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | Y144 P780 L781 R787 | Y144-S783 VanDerWaalsContact OH-CB 3.29Å; Y144-S783 WeakPolarHBondContact OH-CB 3.16Å; P780-S783 PolarHBondContact O-OG 3.48Å; L781-S783 VanDerWaalsContact C-N 3.29Å; L781-S783 PolarHBondContact O-N 3.13Å; S783-R787 WeakPolarHBondContact O-CG 3.33Å; S783-R787 PolarHBondContact O-NH1 3.3Å |
| 784 | G | 66 | Low | 66.1 | Low | 16.3333 Ų | 16.3333 | 51.4 Ų | 51.4 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -80.2 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L781 C782 C786 R787 F788 | L781-G784 WeakPolarHBondContact O-CA 3.07Å; L781-G784 PolarHBondContact O-N 3.26Å; L781-G784 VanDerWaalsContact O-N 3.11Å; C782-G784 VanDerWaalsContact C-N 3.31Å; C782-G784 PolarHBondContact O-N 3.25Å; G784-C786 VanDerWaalsContact C-N 3.32Å; G784-C786 PolarHBondContact O-N 3Å; G784-R787 CarbonylContact O-C 3.47Å; G784-R787 PolarHBondContact O-N 3.01Å; G784-R787 VanDerWaalsContact O-N 3.14Å; G784-F788 WeakPolarHBondContact O-CB 3.29Å; G784-F788 PolarHBondContact O-N 3.22Å |
| 785 | L | 70.5 | Confident | 67.4 | Low | 9.33333 Ų | 9.33333 | 43.9 Ų | 43.9 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -43.5 | 179.3 | -71.6 | 172.6 | 0 | 0 | 0 | 112.6 | L275 R755 L756 L781 C782 R787 F788 M789 | L275-L785 HydrophobicContact CD1-CD2 4.39Å; L275-L785 HydrophobicContact CD2-CD2 4.18Å; R755-L785 VanDerWaalsContact O-CD1 3.31Å; R755-L785 WeakPolarHBondContact O-CD1 3.35Å; R755-L785 VanDerWaalsContact O-CD2 3.28Å; R755-L785 WeakPolarHBondContact O-CD2 3.34Å; L756-L785 HydrophobicContact CD2-CD2 3.74Å; L781-L785 WeakPolarHBondContact O-CG 3.25Å; L781-L785 PolarHBondContact O-N 3.15Å; C782-L785 PolarHBondContact O-N 3.39Å; L785-R787 PolarHBondContact O-N 3.03Å; L785-R787 VanDerWaalsContact O-N 3.08Å; L785-F788 PolarHBondContact O-N 3.12Å; L785-F788 VanDerWaalsContact O-N 3.12Å; L785-M789 HydrophobicContact CD2-CE 4.34Å; L785-M789 PolarHBondContact O-N 2.84Å |
| 786 | C | 67.3 | Low | 68.7 | Low | 20 Ų | 20 | 42.7 Ų | 42.7 | 14% | 0.135 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -16.9 | 178.4 | -58.8 | 0 | 0 | 0 | 0 | 113.5 | P770 F771 C782 G784 W906 | P770-C786 HydrophobicContact CB-CB 3.96Å; F771-C786 HydrophobicContact CD1-CB 3.53Å; F771-C786 WeakPolarHBondContact CD1-SG 3.47Å; F771-C786 HydrophobicContact CE1-CB 3.77Å; F771-C786 WeakPolarHBondContact CE1-SG 3.48Å; F771-C786 HydrophobicContact CG-CB 4.37Å; F771-C786 VanDerWaalsContact CZ-SG 3.55Å; C782-C786 PolarHBondContact O-N 3.12Å; C782-C786 PolarHBondContact O-SG 3.15Å; C782-C786 VanDerWaalsContact O-SG 3.33Å; G784-C786 VanDerWaalsContact C-N 3.32Å; G784-C786 PolarHBondContact O-N 3Å; C786-W906 HydrophobicContact CB-CH2 4.26Å; C786-W906 HydrophobicContact CB-CZ3 4.22Å |
| 787 | R | 69.4 | Low | 69.9 | Low | 113.333 Ų | 113.333 | 42.1 Ų | 42.1 | 43% | 0.428 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -94.7 | -28 | 172.7 | -66.4 | 178 | 175.5 | 120.2 | -8.4 | 112.2 | S141 Y144 Q150 D268 L272 S783 G784 L785 | S141-R787 PolarHBondContact O-NE 3.32Å; Y144-R787 VanDerWaalsContact CE1-CZ 3.46Å; Q150-R787 HydrophobicContact CB-CB 4.28Å; Q150-R787 WeakPolarHBondContact CB-O 3.3Å; Q150-R787 HydrophobicContact CG-CB 4.04Å; Q150-R787 HydrophobicContact CG-CG 4.4Å; Q150-R787 PolarHBondContact N-O 2.85Å; D268-R787 IonicContact OD2-CZ 2.69Å; D268-R787 IonicContact OD2-NH1 3.87Å; D268-R787 PolarHBondContact OD2-NH1 2.77Å; D268-R787 VanDerWaalsContact OD2-NH1 3.16Å; D268-R787 IonicContact OD2-NH2 3.13Å; D268-R787 PolarHBondContact OD2-NH2 3.22Å; L272-R787 HydrophobicContact CD1-CB 3.81Å; L272-R787 HydrophobicContact CD2-CB 4.14Å; S783-R787 WeakPolarHBondContact O-CG 3.33Å; S783-R787 PolarHBondContact O-NH1 3.3Å; G784-R787 CarbonylContact O-C 3.47Å; G784-R787 PolarHBondContact O-N 3.01Å; G784-R787 VanDerWaalsContact O-N 3.14Å; L785-R787 PolarHBondContact O-N 3.03Å; L785-R787 VanDerWaalsContact O-N 3.08Å |
| 788 | F | 73.5 | Confident | 71.5 | Confident | 42 Ų | 42 | 37.9 Ų | 37.9 | 18% | 0.184 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -82.5 | -48.4 | -178.6 | 177.5 | -108.5 | 0 | 0 | 0 | 112.7 | V151 L272 L275 T276 D279 L756 G784 L785 T908 P909 | V151-F788 HydrophobicContact CG2-CD2 3.62Å; V151-F788 HydrophobicContact CG2-CE2 4.05Å; L272-F788 HydrophobicContact CD1-CB 4.04Å; L275-F788 HydrophobicContact CD1-CB 4.42Å; T276-F788 HydrophobicContact CG2-CD2 3.9Å; T276-F788 HydrophobicContact CG2-CE2 3.8Å; D279-F788 HydrophobicContact CB-CE1 4.42Å; D279-F788 HydrophobicContact CB-CZ 3.93Å; D279-F788 WeakPolarHBondContact OD2-CZ 3.18Å; L756-F788 HydrophobicContact CD2-CD1 4.11Å; L756-F788 HydrophobicContact CD2-CE1 3.98Å; G784-F788 WeakPolarHBondContact O-CB 3.29Å; G784-F788 PolarHBondContact O-N 3.22Å; L785-F788 PolarHBondContact O-N 3.12Å; L785-F788 VanDerWaalsContact O-N 3.12Å; F788-T908 HydrophobicContact CE1-CG2 4.22Å; F788-P909 HydrophobicContact CD2-CG 4.44Å; F788-P909 HydrophobicContact CE2-CG 4.24Å; F788-P909 HydrophobicContact CZ-CG 4.33Å; F788-P909 WeakPolarHBondContact O-CD 3.33Å; F788-P909 VanDerWaalsContact O-CG 3.25Å; F788-P909 WeakPolarHBondContact O-CG 3.2Å |
| 789 | M | 77.1 | Confident | 72.8 | Confident | 4.33333 Ų | 4.33333 | 32.4 Ų | 32.4 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -92.6 | 146.8 | 179.7 | -67.2 | -159.6 | -140 | 0 | 0 | 111.4 | L756 I758 L785 W906 I907 T908 | L756-M789 HydrophobicContact CB-CE 3.71Å; L756-M789 HydrophobicContact CD1-CE 4.45Å; L756-M789 HydrophobicContact CD2-CE 3.83Å; L756-M789 HydrophobicContact CG-CE 4.22Å; L756-M789 VanDerWaalsContact O-CE 3.3Å; L756-M789 WeakPolarHBondContact O-CE 3.31Å; I758-M789 HydrophobicContact CD1-CE 3.77Å; I758-M789 HydrophobicContact CD1-SD 4.07Å; I758-M789 HydrophobicContact CG1-CE 3.93Å; L785-M789 HydrophobicContact CD2-CE 4.34Å; L785-M789 PolarHBondContact O-N 2.84Å; M789-W906 HydrophobicContact CB-CE3 3.81Å; M789-W906 HydrophobicContact CB-CZ3 4.37Å; M789-W906 HydrophobicContact SD-CB 4.43Å; M789-I907 WeakPolarHBondContact CA-O 3.31Å; M789-T908 HydrophobicContact CE-CG2 4.1Å; M789-T908 HydrophobicContact CG-CG2 4.23Å; M789-T908 HydrophobicContact SD-CG2 4.19Å |
| 790 | K | 76.1 | Confident | 73.9 | Confident | 67 Ų | 67 | 29.2 Ų | 29.2 | 29% | 0.291 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 134.1 | 168.9 | -63.9 | -174.3 | -175.7 | 179.1 | 0 | 108.5 | G148 W906 I907 D912 | G148-K790 WeakPolarHBondContact O-CD 3.29Å; G148-K790 WeakPolarHBondContact O-CE 3.26Å; G148-K790 PolarHBondContact O-NZ 2.69Å; K790-W906 CarbonylContact O-C 3.51Å; K790-W906 VanDerWaalsContact O-CA 3.29Å; K790-W906 WeakPolarHBondContact O-CA 3.28Å; K790-I907 PolarHBondContact N-O 3.04Å; K790-I907 PolarHBondContact O-N 2.83Å; K790-D912 VanDerWaalsContact CD-OD2 3.29Å; K790-D912 WeakPolarHBondContact CD-OD2 3.27Å; K790-D912 VanDerWaalsContact CE-OD2 3.28Å; K790-D912 WeakPolarHBondContact CE-OD2 3.43Å; K790-D912 IonicContact NZ-OD2 3.39Å; K790-D912 PolarHBondContact NZ-OD2 3.3Å |
| 791 | F | 81.5 | Confident | 74.8 | Confident | 18.6667 Ų | 18.6667 | 26.5 Ų | 26.5 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.6 | 177 | 87.1 | -83.8 | 0 | 0 | 0 | 111.7 | C145 P770 F771 E904 V905 W906 C1132 | C145-F791 HydrophobicContact CB-CE1 4.16Å; P770-F791 HydrophobicContact CB-CD1 4.33Å; P770-F791 HydrophobicContact CB-CD2 4.31Å; P770-F791 HydrophobicContact CB-CE1 3.94Å; P770-F791 HydrophobicContact CB-CE2 4.21Å; P770-F791 HydrophobicContact CB-CG 4.39Å; P770-F791 HydrophobicContact CB-CZ 4.08Å; P770-F791 HydrophobicContact CG-CD1 4.14Å; P770-F791 HydrophobicContact CG-CE1 3.93Å; P770-F791 HydrophobicContact CG-CE2 4.47Å; P770-F791 HydrophobicContact CG-CZ 4.11Å; F771-F791 HydrophobicContact CB-CE1 4.14Å; F771-F791 HydrophobicContact CB-CE2 4.39Å; F771-F791 HydrophobicContact CB-CZ 3.93Å; F791-E904 HydrophobicContact CD2-CG 4.3Å; F791-E904 VanDerWaalsContact CD2-OE1 3.26Å; F791-E904 WeakPolarHBondContact CD2-OE1 3.29Å; F791-V905 CarbonylContact C-O 3.56Å; F791-V905 VanDerWaalsContact CA-O 3.27Å; F791-V905 WeakPolarHBondContact CA-O 3.42Å; F791-W906 HydrophobicContact CB-CD2 3.38Å; F791-W906 VanDerWaalsContact CB-CD2 3.4Å; F791-W906 VanDerWaalsContact CB-CE2 3.45Å; F791-W906 HydrophobicContact CB-CE3 3.51Å; F791-W906 VanDerWaalsContact CB-CE3 3.47Å; F791-W906 HydrophobicContact CB-CG 4.03Å; F791-W906 HydrophobicContact CB-CH2 3.85Å; F791-W906 HydrophobicContact CB-CZ2 3.74Å; F791-W906 HydrophobicContact CB-CZ3 3.74Å; F791-W906 HydrophobicContact CD1-CH2 4.19Å; F791-W906 HydrophobicContact CD1-CZ2 4.47Å; F791-W906 HydrophobicContact CD1-CZ3 4.27Å; F791-W906 HydrophobicContact CD2-CZ2 4.32Å; F791-W906 HydrophobicContact CG-CD2 4.42Å; F791-W906 HydrophobicContact CG-CE3 4.42Å; F791-W906 AromaticContact CG-CH2 3.94Å; F791-W906 HydrophobicContact CG-CH2 4.02Å; F791-W906 AromaticContact CG-CZ2 3.95Å; F791-W906 HydrophobicContact CG-CZ2 3.99Å; F791-W906 HydrophobicContact CG-CZ3 4.19Å; F791-C1132 HydrophobicContact CD1-CB 4.4Å; F791-C1132 HydrophobicContact CD2-CB 4.36Å; F791-C1132 HydrophobicContact CE1-CB 3.8Å; F791-C1132 HydrophobicContact CE2-CB 3.97Å; F791-C1132 HydrophobicContact CZ-CB 3.65Å |
| 792 | R | 80.8 | Confident | 75.3 | Confident | 45.3333 Ų | 45.3333 | 27.5 Ų | 27.5 | 17% | 0.171 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136.3 | 163.9 | -71 | -164.4 | -177.3 | -158.1 | 7.1 | 110.7 | F794 E904 V905 S1059 M1063 C1132 | R792-F794 HydrophobicContact CB-CE1 4.46Å; R792-F794 HydrophobicContact CB-CE2 3.92Å; R792-F794 HydrophobicContact CB-CZ 3.72Å; R792-E904 CarbonylContact O-C 3.57Å; R792-E904 VanDerWaalsContact O-CA 3.27Å; R792-E904 WeakPolarHBondContact O-CA 3.43Å; R792-E904 WeakPolarHBondContact O-CG 3.27Å; R792-V905 PolarHBondContact N-O 3.26Å; R792-V905 PolarHBondContact O-N 3.28Å; R792-S1059 PolarHBondContact NH2-OG 2.66Å; R792-S1059 VanDerWaalsContact NH2-OG 3.14Å; R792-M1063 PolarHBondContact NH1-SD 3.04Å; R792-C1132 CarbonylContact C-O 3.57Å; R792-C1132 VanDerWaalsContact CA-O 3.27Å; R792-C1132 WeakPolarHBondContact CA-O 3.35Å |
| 793 | R | 84.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.5 | 175.9 | -174.5 | 178.1 | -66.9 | 157.5 | -1.9 | 110.2 | P767 A769 E775 Y860 T903 E904 C1132 V1133 V1134 | P767-R793 PolarHBondContact O-NH1 3.4Å; A769-R793 PolarHBondContact O-NH1 3.25Å; E775-R793 IonicContact OE2-CZ 3.39Å; E775-R793 IonicContact OE2-NH2 2.86Å; E775-R793 PolarHBondContact OE2-NH2 2.98Å; R793-Y860 PolarHBondContact NE-OH 3.02Å; R793-Y860 PolarHBondContact NH2-OH 3.02Å; R793-T903 CarbonylContact C-O 3.49Å; R793-T903 WeakPolarHBondContact CA-O 3.34Å; R793-E904 HydrophobicContact CB-CB 4.45Å; R793-E904 HydrophobicContact CB-CG 4.13Å; R793-E904 HydrophobicContact CG-CB 4.39Å; R793-E904 HydrophobicContact CG-CG 4.02Å; R793-E904 IonicContact CZ-OE1 3.37Å; R793-E904 IonicContact CZ-OE2 3.05Å; R793-E904 VanDerWaalsContact CZ-OE2 3.24Å; R793-E904 IonicContact NE-OE1 3.3Å; R793-E904 PolarHBondContact NE-OE1 3.48Å; R793-E904 IonicContact NE-OE2 3.57Å; R793-E904 PolarHBondContact NE-OE2 2.86Å; R793-E904 IonicContact NH2-OE1 3.16Å; R793-E904 PolarHBondContact NH2-OE1 3.04Å; R793-E904 IonicContact NH2-OE2 3.54Å; R793-E904 PolarHBondContact NH2-OE2 2.97Å; R793-C1132 PolarHBondContact N-O 2.96Å; R793-V1133 HydrophobicContact CB-CG1 4.28Å; R793-V1133 HydrophobicContact CB-CG2 4.23Å; R793-V1133 HydrophobicContact CG-CG1 4.26Å; R793-V1133 CarbonylContact O-C 3.48Å; R793-V1133 VanDerWaalsContact O-CA 3.31Å; R793-V1133 WeakPolarHBondContact O-CA 3.31Å; R793-V1134 PolarHBondContact O-N 2.85Å |
| 794 | F | 86.3 | Confident | 76.3 | Confident | 0.666667 Ų | 0.666667 | 32.1 Ų | 32.1 | 0% | 0.003 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.3 | -178.6 | -53.3 | -80.9 | 0 | 0 | 0 | 109.5 | R792 W796 C902 T903 V905 Y1066 V1134 | R792-F794 HydrophobicContact CB-CE1 4.46Å; R792-F794 HydrophobicContact CB-CE2 3.92Å; R792-F794 HydrophobicContact CB-CZ 3.72Å; F794-W796 HydrophobicContact CB-CZ2 4.23Å; F794-C902 WeakPolarHBondContact O-CA 3.32Å; F794-T903 PolarHBondContact N-O 2.94Å; F794-T903 PolarHBondContact O-N 3.09Å; F794-T903 PolarHBondContact O-OG1 3.13Å; F794-V905 HydrophobicContact CD2-CG2 4.42Å; F794-V905 HydrophobicContact CE2-CB 4.4Å; F794-V905 HydrophobicContact CE2-CG2 3.84Å; F794-Y1066 AromaticContact CD1-CD2 3.2Å; F794-Y1066 HydrophobicContact CD1-CD2 3.2Å; F794-Y1066 AromaticContact CD1-CE2 3.46Å; F794-Y1066 HydrophobicContact CD1-CE2 3.46Å; F794-Y1066 VanDerWaalsContact CD1-CE2 3.41Å; F794-Y1066 HydrophobicContact CD1-CG 4.05Å; F794-Y1066 HydrophobicContact CD2-CD2 4.37Å; F794-Y1066 HydrophobicContact CE1-CD1 4.39Å; F794-Y1066 AromaticContact CE1-CD2 3.23Å; F794-Y1066 HydrophobicContact CE1-CD2 3.23Å; F794-Y1066 AromaticContact CE1-CE2 3.8Å; F794-Y1066 HydrophobicContact CE1-CE2 3.8Å; F794-Y1066 AromaticContact CE1-CG 3.57Å; F794-Y1066 HydrophobicContact CE1-CG 3.57Å; F794-Y1066 HydrophobicContact CE2-CD2 4.35Å; F794-Y1066 AromaticContact CG-CD2 3.88Å; F794-Y1066 HydrophobicContact CG-CD2 3.88Å; F794-Y1066 HydrophobicContact CG-CE2 4.28Å; F794-Y1066 AromaticContact CZ-CD2 3.82Å; F794-Y1066 HydrophobicContact CZ-CD2 3.9Å; F794-Y1066 AromaticContact CZ-CG 3.95Å; F794-Y1066 HydrophobicContact CZ-CG 4.01Å; F794-V1134 WeakPolarHBondContact CA-O 3.44Å; F794-V1134 HydrophobicContact CD1-CB 3.81Å; F794-V1134 HydrophobicContact CD1-CG1 4.44Å; F794-V1134 HydrophobicContact CD1-CG2 4.09Å; F794-V1134 HydrophobicContact CE1-CB 4.25Å; F794-V1134 HydrophobicContact CE1-CG2 4.01Å |
| 795 | W | 85.3 | Confident | 76.5 | Confident | 2.66667 Ų | 2.66667 | 33.4 Ų | 33.4 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.4 | 174.5 | -69.5 | 87.8 | 0 | 0 | 0 | 110 | F763 P764 P767 V863 T865 F869 Q900 C902 V1134 F1135 N1136 | F763-W795 HydrophobicContact CE1-CH2 4.31Å; F763-W795 AromaticContact CE2-CH2 3.7Å; F763-W795 HydrophobicContact CE2-CH2 3.7Å; F763-W795 HydrophobicContact CE2-CZ2 4.13Å; F763-W795 AromaticContact CZ-CH2 3.27Å; F763-W795 HydrophobicContact CZ-CH2 3.27Å; F763-W795 AromaticContact CZ-CZ2 3.5Å; F763-W795 HydrophobicContact CZ-CZ2 3.5Å; F763-W795 VanDerWaalsContact CZ-CZ2 3.5Å; F763-W795 HydrophobicContact CZ-CZ3 4.5Å; P764-W795 HydrophobicContact CG-CH2 4.42Å; P764-W795 HydrophobicContact CG-CZ2 3.97Å; P767-W795 HydrophobicContact CB-CH2 4.3Å; P767-W795 HydrophobicContact CB-CZ2 3.55Å; P767-W795 VanDerWaalsContact CB-CZ2 3.41Å; P767-W795 PolarHBondContact O-NE1 3.12Å; W795-V863 HydrophobicContact CH2-CG1 4.34Å; W795-V863 HydrophobicContact CH2-CG2 4.4Å; W795-V863 HydrophobicContact CZ3-CB 4.28Å; W795-V863 HydrophobicContact CZ3-CG1 4.04Å; W795-V863 HydrophobicContact CZ3-CG2 4.17Å; W795-T865 HydrophobicContact CZ3-CG2 4.42Å; W795-F869 HydrophobicContact CE3-CZ 4.38Å; W795-F869 HydrophobicContact CH2-CE2 4.49Å; W795-F869 AromaticContact CH2-CZ 3.88Å; W795-F869 HydrophobicContact CH2-CZ 4.11Å; W795-F869 HydrophobicContact CZ2-CZ 4.27Å; W795-F869 AromaticContact CZ3-CZ 3.96Å; W795-F869 HydrophobicContact CZ3-CZ 4.16Å; W795-Q900 HydrophobicContact CE3-CB 4.41Å; W795-C902 HydrophobicContact CD2-CB 4.25Å; W795-C902 HydrophobicContact CE3-CB 4.06Å; W795-C902 HydrophobicContact CH2-CB 4.27Å; W795-C902 HydrophobicContact CZ2-CB 4.4Å; W795-C902 HydrophobicContact CZ3-CB 4.13Å; W795-V1134 PolarHBondContact N-O 3.15Å; W795-F1135 HydrophobicContact CB-CD1 3.61Å; W795-F1135 HydrophobicContact CB-CE1 3.98Å; W795-F1135 HydrophobicContact CB-CG 4.3Å; W795-F1135 AromaticContact CD1-CD1 3.91Å; W795-F1135 AromaticContact CD1-CE1 3.5Å; W795-F1135 VanDerWaalsContact CD1-CE1 3.4Å; W795-F1135 AromaticContact CD1-CZ 3.78Å; W795-F1135 HydrophobicContact CD2-CD1 4.47Å; W795-F1135 HydrophobicContact CD2-CE1 4.1Å; W795-F1135 AromaticContact CG-CD1 3.77Å; W795-F1135 HydrophobicContact CG-CD1 3.77Å; W795-F1135 AromaticContact CG-CE1 3.59Å; W795-F1135 HydrophobicContact CG-CE1 3.59Å; W795-F1135 HydrophobicContact CG-CZ 4.33Å; W795-F1135 AromaticContact NE1-CE1 3.92Å; W795-F1135 AromaticContact NE1-CZ 3.77Å; W795-N1136 VanDerWaalsContact O-CB 3.31Å; W795-N1136 WeakPolarHBondContact O-CB 3.35Å; W795-N1136 PolarHBondContact O-N 3.08Å; W795-N1136 PolarHBondContact O-ND2 2.88Å |
| 796 | W | 87.5 | Confident | 76.6 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 110.2 | -178.8 | -50.3 | 85.2 | 0 | 0 | 0 | 108.9 | F794 Q900 I901 T903 Y1066 D1069 V1070 L1073 T1074 N1136 | F794-W796 HydrophobicContact CB-CZ2 4.23Å; W796-Q900 WeakPolarHBondContact O-CA 3.32Å; W796-I901 HydrophobicContact CB-CB 4.16Å; W796-I901 HydrophobicContact CG-CG2 4.44Å; W796-I901 PolarHBondContact N-O 3.19Å; W796-I901 PolarHBondContact O-N 3.26Å; W796-T903 PolarHBondContact NE1-OG1 3.46Å; W796-Y1066 HydrophobicContact CH2-CD2 4.2Å; W796-Y1066 AromaticContact CH2-CE2 3.73Å; W796-Y1066 HydrophobicContact CH2-CE2 3.73Å; W796-Y1066 HydrophobicContact CZ2-CD2 4.14Å; W796-Y1066 AromaticContact CZ2-CE2 3.93Å; W796-Y1066 HydrophobicContact CZ2-CE2 3.93Å; W796-D1069 HydrophobicContact CH2-CB 4.38Å; W796-D1069 HydrophobicContact CZ2-CB 4.17Å; W796-V1070 HydrophobicContact CH2-CB 4.15Å; W796-V1070 HydrophobicContact CH2-CG2 3.56Å; W796-V1070 HydrophobicContact CZ3-CB 4.46Å; W796-V1070 HydrophobicContact CZ3-CG2 4.06Å; W796-L1073 HydrophobicContact CD2-CB 4.44Å; W796-L1073 HydrophobicContact CD2-CD1 3.66Å; W796-L1073 HydrophobicContact CE3-CB 4.3Å; W796-L1073 HydrophobicContact CE3-CD1 4.22Å; W796-L1073 HydrophobicContact CG-CD1 4.02Å; W796-L1073 HydrophobicContact CH2-CD1 4.26Å; W796-L1073 HydrophobicContact CZ2-CD1 3.72Å; W796-L1073 HydrophobicContact CZ3-CB 4.45Å; W796-L1073 HydrophobicContact CZ3-CD1 4.42Å; W796-T1074 HydrophobicContact CZ3-CG2 4.28Å; W796-N1136 HydrophobicContact CD2-CB 4.28Å; W796-N1136 HydrophobicContact CE3-CB 3.7Å; W796-N1136 HydrophobicContact CZ3-CB 4.1Å |
| 797 | S | 84.5 | Confident | 77.3 | Confident | 9.33333 Ų | 9.33333 | 36.1 Ų | 36.1 | 7% | 0.065 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131.2 | 170.3 | -161.7 | 0 | 0 | 0 | 0 | 109.4 | K799 E898 Q900 N1136 C1139 | S797-K799 PolarHBondContact OG-N 2.9Å; S797-E898 WeakPolarHBondContact CB-OE1 3.33Å; S797-E898 PolarHBondContact OG-OE1 3.18Å; S797-Q900 PolarHBondContact OG-NE2 2.8Å; S797-N1136 PolarHBondContact N-O 2.87Å; S797-C1139 PolarHBondContact O-SG 3.3Å |
| 798 | L | 86.7 | Confident | 77.9 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -94.5 | -16.5 | 177.8 | -49.6 | 176.1 | 0 | 0 | 0 | 111.5 | M807 A812 V899 I901 I1077 Q1081 | L798-M807 HydrophobicContact CB-CB 4.28Å; L798-M807 HydrophobicContact CB-CE 3.77Å; L798-M807 HydrophobicContact CB-SD 4.42Å; L798-M807 HydrophobicContact CD1-CE 3.45Å; L798-M807 VanDerWaalsContact CD1-CE 3.43Å; L798-M807 HydrophobicContact CD2-CE 3.93Å; L798-M807 HydrophobicContact CG-CE 3.88Å; L798-A812 HydrophobicContact CD1-CB 3.57Å; L798-A812 VanDerWaalsContact CD1-CB 3.5Å; L798-V899 WeakPolarHBondContact CB-O 3.32Å; L798-V899 HydrophobicContact CD1-CB 4.09Å; L798-V899 HydrophobicContact CD1-CG1 3.74Å; L798-V899 WeakPolarHBondContact CD1-O 3.3Å; L798-V899 VanDerWaalsContact CG-O 3.29Å; L798-V899 WeakPolarHBondContact CG-O 3.33Å; L798-I901 HydrophobicContact CD1-CD1 4.3Å; L798-I901 HydrophobicContact CD1-CG1 4.05Å; L798-I901 HydrophobicContact CD2-CB 4.46Å; L798-I901 HydrophobicContact CD2-CD1 3.9Å; L798-I901 HydrophobicContact CD2-CG1 4.11Å; L798-I1077 HydrophobicContact CD2-CD1 3.55Å; L798-I1077 HydrophobicContact CD2-CG1 3.77Å; L798-I1077 HydrophobicContact CD2-CG2 4.48Å; L798-Q1081 PolarHBondContact O-NE2 3.3Å | ||
| 799 | K | 80.1 | Confident | 78.3 | Confident | 73.3333 Ų | 73.3333 | 35.2 Ų | 35.2 | 32% | 0.319 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -66.2 | 137.2 | 177.6 | -173.8 | 175.7 | 179.1 | -179 | 0 | 110.6 | S797 P801 E898 Q1081 | S797-K799 PolarHBondContact OG-N 2.9Å; K799-P801 WeakPolarHBondContact O-CD 3.34Å; K799-E898 VanDerWaalsContact CB-CD 3.45Å; K799-E898 HydrophobicContact CB-CG 3.94Å; K799-E898 VanDerWaalsContact CB-OE1 3.27Å; K799-E898 WeakPolarHBondContact CB-OE1 3.39Å; K799-E898 HydrophobicContact CD-CG 4.32Å; K799-E898 WeakPolarHBondContact CD-OE2 3.35Å; K799-E898 IonicContact NZ-OE2 2.76Å; K799-E898 PolarHBondContact NZ-OE2 2.85Å; K799-Q1081 PolarHBondContact O-NE2 3.31Å |
| 800 | L | 76.6 | Confident | 78.6 | Confident | 1.33333 Ų | 1.33333 | 41.9 Ų | 41.9 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -84.6 | 119.2 | 171.6 | -173.8 | 64.7 | 0 | 0 | 0 | 108.4 | G802 T803 Q1081 L1085 L1095 F1140 | L800-G802 PolarHBondContact O-N 3.19Å; L800-T803 HydrophobicContact CB-CG2 4.14Å; L800-T803 WeakPolarHBondContact CB-OG1 3.48Å; L800-T803 HydrophobicContact CD2-CG2 3.75Å; L800-T803 HydrophobicContact CG-CG2 3.96Å; L800-T803 PolarHBondContact O-N 3.02Å; L800-T803 PolarHBondContact O-OG1 3.28Å; L800-Q1081 HydrophobicContact CB-CG 4.2Å; L800-Q1081 HydrophobicContact CD1-CB 4.14Å; L800-Q1081 HydrophobicContact CD1-CG 4.2Å; L800-Q1081 HydrophobicContact CD2-CB 4.28Å; L800-L1085 HydrophobicContact CD2-CD1 3.98Å; L800-L1085 HydrophobicContact CD2-CD2 3.79Å; L800-L1085 HydrophobicContact CD2-CG 3.76Å; L800-L1095 HydrophobicContact CD1-CD1 4.42Å; L800-L1095 HydrophobicContact CD1-CD2 3.94Å; L800-L1095 HydrophobicContact CD1-CG 4.45Å; L800-L1095 HydrophobicContact CD2-CD2 3.91Å; L800-L1095 HydrophobicContact CG-CD2 3.74Å; L800-F1140 HydrophobicContact CD1-CB 3.94Å; L800-F1140 HydrophobicContact CD1-CD2 3.81Å; L800-F1140 HydrophobicContact CD1-CG 4.06Å |
| 801 | P | 68.6 | Low | 78.9 | Confident | 45.5 Ų | 45.5 | 39.2 Ų | 39.2 | 30% | 0.295 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.6 | -177.5 | -25.5 | 35.4 | 0 | 0 | 0 | 111.8 | K799 T803 L1095 | K799-P801 WeakPolarHBondContact O-CD 3.34Å; P801-T803 VanDerWaalsContact C-N 3.31Å; P801-L1095 WeakPolarHBondContact CB-O 3.3Å; P801-L1095 WeakPolarHBondContact CD-O 3.07Å; P801-L1095 WeakPolarHBondContact CG-O 3.34Å |
| 802 | G | 65.1 | Low | 79.1 | Confident | 62.25 Ų | 62.25 | 38.4 Ų | 38.4 | 64% | 0.642 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.9 | -5.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L800 H1093 | L800-G802 PolarHBondContact O-N 3.19Å; G802-H1093 PolarHBondContact O-ND1 3.17Å |
| 803 | T | 66.2 | Low | 79.2 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | trans | -99.8 | 159.3 | 176.5 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | L800 P801 Y805 L1085 E1088 H1093 | L800-T803 HydrophobicContact CB-CG2 4.14Å; L800-T803 WeakPolarHBondContact CB-OG1 3.48Å; L800-T803 HydrophobicContact CD2-CG2 3.75Å; L800-T803 HydrophobicContact CG-CG2 3.96Å; L800-T803 PolarHBondContact O-N 3.02Å; L800-T803 PolarHBondContact O-OG1 3.28Å; P801-T803 VanDerWaalsContact C-N 3.31Å; T803-Y805 VanDerWaalsContact C-N 3.28Å; T803-Y805 PolarHBondContact OG1-N 2.76Å; T803-L1085 HydrophobicContact CG2-CD2 4.44Å; T803-E1088 WeakPolarHBondContact CB-OE1 3.33Å; T803-E1088 WeakPolarHBondContact CB-OE2 3.34Å; T803-E1088 WeakPolarHBondContact CG2-OE2 3.32Å; T803-H1093 WeakPolarHBondContact CG2-NE2 3.42Å | ||
| 804 | V | 68.1 | Low | 79.2 | Confident | 129 Ų | 129 | 40.2 Ų | 40.2 | 78% | 0.782 | 22% | 0.222 | S | C | * | . | trans | -86.1 | -15.7 | 170.4 | -171.8 | 0 | 0 | 0 | 0 | 110.6 | Q806 E1088 | V804-Q806 PolarHBondContact O-N 3.12Å; V804-E1088 PolarHBondContact N-OE1 3.26Å; V804-E1088 VanDerWaalsContact N-OE1 3.07Å | ||
| 805 | Y | 70.5 | Confident | 79.3 | Confident | 44.25 Ų | 44.25 | 40.4 Ų | 40.4 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | trans | -58.9 | 127.9 | 179.7 | -178.7 | -99.5 | 0 | 0 | 0 | 112.9 | T803 M807 A1084 E1088 | T803-Y805 VanDerWaalsContact C-N 3.28Å; T803-Y805 PolarHBondContact OG1-N 2.76Å; Y805-M807 HydrophobicContact CE1-CB 4.02Å; Y805-M807 HydrophobicContact CE1-CG 4.35Å; Y805-A1084 HydrophobicContact CD1-CB 3.33Å; Y805-A1084 VanDerWaalsContact CD1-CB 3.48Å; Y805-A1084 HydrophobicContact CD2-CB 3.6Å; Y805-A1084 VanDerWaalsContact CD2-CB 3.43Å; Y805-A1084 HydrophobicContact CE1-CB 3.69Å; Y805-A1084 HydrophobicContact CE2-CB 3.96Å; Y805-A1084 HydrophobicContact CG-CB 3.27Å; Y805-A1084 VanDerWaalsContact CG-CB 3.45Å; Y805-E1088 PolarHBondContact N-OE1 3.15Å; Y805-E1088 VanDerWaalsContact N-OE1 3.1Å | ||
| 806 | Q | 73.7 | Confident | 79.4 | Confident | 78.25 Ų | 78.25 | 40.6 Ų | 40.6 | 37% | 0.366 | 22% | 0.224 | S | C | . | . | trans | -111.1 | 133.9 | 166.2 | -64.2 | -171.4 | -48.9 | 0 | 0 | 108.4 | V804 L896 S897 | V804-Q806 PolarHBondContact O-N 3.12Å; Q806-L896 PolarHBondContact NE2-O 2.95Å; Q806-S897 VanDerWaalsContact CD-O 3.29Å; Q806-S897 VanDerWaalsContact NE2-C 3.26Å; Q806-S897 PolarHBondContact NE2-O 3.13Å; Q806-S897 PolarHBondContact OE1-O 3.33Å | ||
| 807 | M | 82.1 | Confident | 79.2 | Confident | 7.25 Ų | 7.25 | 42.2 Ų | 42.2 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | trans | -75.2 | 136.7 | 178.8 | -161.6 | 166.4 | 80.9 | 0 | 0 | 110.2 | L798 Y805 V811 A812 I815 V899 E1080 | L798-M807 HydrophobicContact CB-CB 4.28Å; L798-M807 HydrophobicContact CB-CE 3.77Å; L798-M807 HydrophobicContact CB-SD 4.42Å; L798-M807 HydrophobicContact CD1-CE 3.45Å; L798-M807 VanDerWaalsContact CD1-CE 3.43Å; L798-M807 HydrophobicContact CD2-CE 3.93Å; L798-M807 HydrophobicContact CG-CE 3.88Å; Y805-M807 HydrophobicContact CE1-CB 4.02Å; Y805-M807 HydrophobicContact CE1-CG 4.35Å; M807-V811 HydrophobicContact CE-CB 3.97Å; M807-V811 HydrophobicContact CE-CG1 4.07Å; M807-V811 HydrophobicContact CG-CB 4.08Å; M807-V811 HydrophobicContact CG-CG1 3.97Å; M807-V811 HydrophobicContact SD-CB 4.33Å; M807-V811 HydrophobicContact SD-CG1 3.8Å; M807-A812 HydrophobicContact CE-CB 4.15Å; M807-I815 HydrophobicContact CE-CD1 3.71Å; M807-I815 HydrophobicContact SD-CD1 4.35Å; M807-V899 VanDerWaalsContact O-CG2 3.3Å; M807-V899 WeakPolarHBondContact O-CG2 3.43Å; M807-E1080 HydrophobicContact SD-CB 3.76Å; M807-E1080 VanDerWaalsContact SD-CB 3.57Å; M807-E1080 HydrophobicContact SD-CG 4.2Å | ||
| 808 | E | 82.1 | Confident | 79.2 | Confident | 100.5 Ų | 100.5 | 41.8 Ų | 41.8 | 47% | 0.47 | 23% | 0.229 | S | C | . | . | trans | -62.9 | 141 | -179.9 | -68.4 | 152.8 | -175.3 | 0 | 0 | 111.3 | E810 V811 A812 K1083 | E808-E810 PolarHBondContact O-N 3.09Å; E808-V811 HydrophobicContact CB-CB 4.43Å; E808-V811 HydrophobicContact CB-CG2 4.11Å; E808-V811 WeakPolarHBondContact O-CB 3.29Å; E808-V811 PolarHBondContact O-N 3.13Å; E808-V811 VanDerWaalsContact O-N 3.11Å; E808-A812 PolarHBondContact O-N 3.17Å; E808-A812 VanDerWaalsContact O-N 3.12Å; E808-K1083 IonicContact OE1-NZ 3.7Å; E808-K1083 IonicContact OE2-NZ 3.26Å; E808-K1083 PolarHBondContact OE2-NZ 3.12Å | ||
| 809 | T | 81.9 | Confident | 79.3 | Confident | 35.5 Ų | 35.5 | 41.7 Ų | 41.7 | 22% | 0.218 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -36.1 | 179.5 | -47.4 | 0 | 0 | 0 | 0 | 111.9 | V811 A812 N813 T862 E890 | T809-V811 VanDerWaalsContact C-N 3.33Å; T809-V811 PolarHBondContact O-N 3.15Å; T809-A812 WeakPolarHBondContact O-CB 3.37Å; T809-A812 PolarHBondContact O-N 3.21Å; T809-N813 WeakPolarHBondContact O-CB 3.45Å; T809-N813 VanDerWaalsContact O-CG 3.29Å; T809-N813 PolarHBondContact O-N 3.11Å; T809-N813 PolarHBondContact O-ND2 3.1Å; T809-T862 HydrophobicContact CG2-CG2 4.11Å; T809-E890 VanDerWaalsContact CB-OE1 3.26Å; T809-E890 WeakPolarHBondContact CB-OE1 3.34Å; T809-E890 WeakPolarHBondContact CG2-OE1 3.45Å; T809-E890 PolarHBondContact OG1-OE1 3.16Å |
| 810 | E | 82 | Confident | 79.6 | Confident | 145.5 Ų | 145.5 | 38.9 Ų | 38.9 | 68% | 0.68 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -59.4 | -42.5 | 175.5 | -64.3 | 179 | -167.3 | 0 | 0 | 112.6 | E808 N813 L814 | E808-E810 PolarHBondContact O-N 3.09Å; E810-N813 WeakPolarHBondContact O-CB 3.34Å; E810-N813 PolarHBondContact O-N 3.03Å; E810-L814 WeakPolarHBondContact O-CB 3.34Å; E810-L814 PolarHBondContact O-N 3.07Å |
| 811 | V | 83.3 | Confident | 79.9 | Confident | 11.75 Ų | 11.75 | 39.7 Ų | 39.7 | 7% | 0.071 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.9 | -39.3 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | M807 E808 T809 N813 L814 I815 E1080 | M807-V811 HydrophobicContact CE-CB 3.97Å; M807-V811 HydrophobicContact CE-CG1 4.07Å; M807-V811 HydrophobicContact CG-CB 4.08Å; M807-V811 HydrophobicContact CG-CG1 3.97Å; M807-V811 HydrophobicContact SD-CB 4.33Å; M807-V811 HydrophobicContact SD-CG1 3.8Å; E808-V811 HydrophobicContact CB-CB 4.43Å; E808-V811 HydrophobicContact CB-CG2 4.11Å; E808-V811 WeakPolarHBondContact O-CB 3.29Å; E808-V811 PolarHBondContact O-N 3.13Å; E808-V811 VanDerWaalsContact O-N 3.11Å; T809-V811 VanDerWaalsContact C-N 3.33Å; T809-V811 PolarHBondContact O-N 3.15Å; V811-N813 VanDerWaalsContact C-N 3.33Å; V811-N813 PolarHBondContact O-N 2.89Å; V811-L814 WeakPolarHBondContact O-CB 3.39Å; V811-L814 PolarHBondContact O-N 2.95Å; V811-I815 HydrophobicContact CG1-CD1 4.4Å; V811-I815 VanDerWaalsContact O-CG1 3.31Å; V811-I815 WeakPolarHBondContact O-CG1 3.37Å; V811-I815 PolarHBondContact O-N 2.99Å; V811-I815 VanDerWaalsContact O-N 3.1Å; V811-E1080 HydrophobicContact CG1-CB 4.15Å; V811-E1080 HydrophobicContact CG1-CG 3.54Å; V811-E1080 VanDerWaalsContact CG1-CG 3.46Å |
| 812 | A | 85.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L798 M807 E808 T809 L814 I815 L816 T862 V899 | L798-A812 HydrophobicContact CD1-CB 3.57Å; L798-A812 VanDerWaalsContact CD1-CB 3.5Å; M807-A812 HydrophobicContact CE-CB 4.15Å; E808-A812 PolarHBondContact O-N 3.17Å; E808-A812 VanDerWaalsContact O-N 3.12Å; T809-A812 WeakPolarHBondContact O-CB 3.37Å; T809-A812 PolarHBondContact O-N 3.21Å; A812-L814 VanDerWaalsContact C-N 3.32Å; A812-L814 PolarHBondContact O-N 3.05Å; A812-I815 PolarHBondContact O-N 3.11Å; A812-L816 WeakPolarHBondContact O-CG 3.27Å; A812-L816 PolarHBondContact O-N 3.1Å; A812-T862 HydrophobicContact CB-CG2 3.56Å; A812-T862 VanDerWaalsContact CB-CG2 3.46Å; A812-V899 HydrophobicContact CB-CG1 3.74Å |
| 813 | N | 83.4 | Confident | 81.7 | Confident | 56.5 Ų | 56.5 | 35.9 Ų | 35.9 | 30% | 0.302 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 173.9 | -71.5 | -24.5 | 0 | 0 | 0 | 112.1 | T809 E810 V811 L816 H817 T862 | T809-N813 WeakPolarHBondContact O-CB 3.45Å; T809-N813 VanDerWaalsContact O-CG 3.29Å; T809-N813 PolarHBondContact O-N 3.11Å; T809-N813 PolarHBondContact O-ND2 3.1Å; E810-N813 WeakPolarHBondContact O-CB 3.34Å; E810-N813 PolarHBondContact O-N 3.03Å; V811-N813 VanDerWaalsContact C-N 3.33Å; V811-N813 PolarHBondContact O-N 2.89Å; N813-L816 WeakPolarHBondContact O-CB 3.42Å; N813-L816 PolarHBondContact O-N 3.11Å; N813-H817 WeakPolarHBondContact O-CB 3.35Å; N813-H817 PolarHBondContact O-N 3.12Å; N813-T862 WeakPolarHBondContact OD1-CB 3.36Å; N813-T862 VanDerWaalsContact OD1-CG2 3.27Å; N813-T862 WeakPolarHBondContact OD1-CG2 3.31Å; N813-T862 PolarHBondContact OD1-OG1 3.3Å |
| 814 | L | 83.7 | Confident | 82.5 | Confident | 27.5 Ų | 27.5 | 36.3 Ų | 36.3 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 175.4 | -174.6 | 119.4 | 0 | 0 | 0 | 112.1 | F625 E810 V811 A812 H817 A818 L1318 L1373 | F625-L814 HydrophobicContact CB-CD1 4.4Å; F625-L814 VanDerWaalsContact O-CD1 3.27Å; F625-L814 WeakPolarHBondContact O-CD1 3.19Å; E810-L814 WeakPolarHBondContact O-CB 3.34Å; E810-L814 PolarHBondContact O-N 3.07Å; V811-L814 WeakPolarHBondContact O-CB 3.39Å; V811-L814 PolarHBondContact O-N 2.95Å; A812-L814 VanDerWaalsContact C-N 3.32Å; A812-L814 PolarHBondContact O-N 3.05Å; L814-H817 PolarHBondContact O-N 3.18Å; L814-A818 WeakPolarHBondContact O-CB 3.33Å; L814-A818 PolarHBondContact O-N 3.2Å; L814-L1318 HydrophobicContact CD2-CD2 4.33Å; L814-L1373 HydrophobicContact CD1-CB 4.12Å; L814-L1373 HydrophobicContact CD1-CD1 4.25Å; L814-L1373 HydrophobicContact CD1-CD2 3.63Å; L814-L1373 HydrophobicContact CD1-CG 4.21Å |
| 815 | I | 87.7 | Confident | 83.1 | Confident | 4.25 Ų | 4.25 | 34.7 Ų | 34.7 | 2% | 0.022 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 174.9 | -65.4 | 171.6 | 0 | 0 | 0 | 111 | M807 V811 A812 H817 A818 L819 I901 L1073 L1076 I1077 | M807-I815 HydrophobicContact CE-CD1 3.71Å; M807-I815 HydrophobicContact SD-CD1 4.35Å; V811-I815 HydrophobicContact CG1-CD1 4.4Å; V811-I815 VanDerWaalsContact O-CG1 3.31Å; V811-I815 WeakPolarHBondContact O-CG1 3.37Å; V811-I815 PolarHBondContact O-N 2.99Å; V811-I815 VanDerWaalsContact O-N 3.1Å; A812-I815 PolarHBondContact O-N 3.11Å; I815-H817 VanDerWaalsContact C-N 3.35Å; I815-H817 PolarHBondContact O-N 3.19Å; I815-A818 PolarHBondContact O-N 3.07Å; I815-L819 WeakPolarHBondContact O-CB 3.25Å; I815-L819 PolarHBondContact O-N 3.32Å; I815-I901 HydrophobicContact CB-CD1 4.12Å; I815-I901 HydrophobicContact CG2-CD1 3.72Å; I815-L1073 HydrophobicContact CG2-CD2 3.55Å; I815-L1073 VanDerWaalsContact CG2-CD2 3.45Å; I815-L1076 HydrophobicContact CD1-CB 4.36Å; I815-L1076 HydrophobicContact CG1-CB 4.19Å; I815-L1076 HydrophobicContact CG1-CD1 4.46Å; I815-L1076 HydrophobicContact CG2-CB 4.45Å; I815-L1076 HydrophobicContact CG2-CD1 4.32Å; I815-I1077 HydrophobicContact CD1-CG1 4.09Å |
| 816 | L | 87.7 | Confident | 83.6 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 175 | -71.7 | 174.8 | 0 | 0 | 0 | 112 | A812 N813 A818 L819 L820 V859 T862 I901 | A812-L816 WeakPolarHBondContact O-CG 3.27Å; A812-L816 PolarHBondContact O-N 3.1Å; N813-L816 WeakPolarHBondContact O-CB 3.42Å; N813-L816 PolarHBondContact O-N 3.11Å; L816-A818 VanDerWaalsContact C-N 3.34Å; L816-A818 PolarHBondContact O-N 3.04Å; L816-L819 WeakPolarHBondContact O-CB 3.44Å; L816-L819 PolarHBondContact O-N 3.2Å; L816-L820 WeakPolarHBondContact O-CB 3.33Å; L816-L820 WeakPolarHBondContact O-CG 3.3Å; L816-L820 PolarHBondContact O-N 3.24Å; L816-V859 HydrophobicContact CB-CG1 4.49Å; L816-V859 HydrophobicContact CD2-CG1 3.75Å; L816-T862 HydrophobicContact CD1-CG2 3.9Å; L816-T862 VanDerWaalsContact CD1-OG1 3.25Å; L816-T862 WeakPolarHBondContact CD1-OG1 3.41Å; L816-I901 HydrophobicContact CD2-CB 4.29Å; L816-I901 HydrophobicContact CD2-CD1 4.07Å; L816-I901 HydrophobicContact CD2-CG1 3.89Å; L816-I901 HydrophobicContact CD2-CG2 3.59Å; L816-I901 HydrophobicContact CG-CD1 4.13Å; L816-I901 HydrophobicContact CG-CG1 4.11Å |
| 817 | H | 83.1 | Confident | 83.9 | Confident | 33.75 Ų | 33.75 | 32.6 Ų | 32.6 | 16% | 0.156 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 177.5 | -169.8 | -93.9 | 0 | 0 | 0 | 111.8 | L621 F625 N813 L814 I815 L819 L820 H821 L1373 | L621-H817 WeakPolarHBondContact CD2-NE2 3.29Å; F625-H817 AromaticContact CD1-ND1 3.52Å; F625-H817 AromaticContact CE1-CE1 3.77Å; F625-H817 AromaticContact CE1-ND1 3.16Å; F625-H817 WeakPolarHBondContact CE1-ND1 3.29Å; N813-H817 WeakPolarHBondContact O-CB 3.35Å; N813-H817 PolarHBondContact O-N 3.12Å; L814-H817 PolarHBondContact O-N 3.18Å; I815-H817 VanDerWaalsContact C-N 3.35Å; I815-H817 PolarHBondContact O-N 3.19Å; H817-L819 VanDerWaalsContact C-N 3.34Å; H817-L819 PolarHBondContact O-N 3.12Å; H817-L820 WeakPolarHBondContact O-CB 3.35Å; H817-L820 PolarHBondContact O-N 3.17Å; H817-H821 AromaticContact CE1-CD2 3.38Å; H817-H821 PolarHBondContact CE1-CD2 3.06Å; H817-H821 AromaticContact CE1-NE2 3.39Å; H817-H821 PolarHBondContact CE1-NE2 3.14Å; H817-H821 AromaticContact ND1-CD2 3.63Å; H817-H821 PolarHBondContact ND1-CD2 3.46Å; H817-H821 AromaticContact ND1-NE2 3.84Å; H817-H821 AromaticContact NE2-NE2 3.9Å; H817-H821 PolarHBondContact O-CD2 2.96Å; H817-H821 PolarHBondContact O-N 2.94Å; H817-L1373 HydrophobicContact CB-CD2 4.37Å; H817-L1373 WeakPolarHBondContact ND1-CD2 3.33Å |
| 818 | A | 84.4 | Confident | 84.1 | Confident | 0.75 Ų | 0.75 | 32.7 Ų | 32.7 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L814 I815 L816 H821 K822 F1072 L1076 L1318 V1322 | L814-A818 WeakPolarHBondContact O-CB 3.33Å; L814-A818 PolarHBondContact O-N 3.2Å; I815-A818 PolarHBondContact O-N 3.07Å; L816-A818 VanDerWaalsContact C-N 3.34Å; L816-A818 PolarHBondContact O-N 3.04Å; A818-H821 WeakPolarHBondContact O-CB 3.42Å; A818-H821 PolarHBondContact O-N 3.28Å; A818-K822 PolarHBondContact O-N 3.36Å; A818-F1072 HydrophobicContact CB-CE1 4.34Å; A818-F1072 HydrophobicContact CB-CZ 3.86Å; A818-F1072 WeakPolarHBondContact O-CZ 3.32Å; A818-L1076 HydrophobicContact CB-CD1 4.2Å; A818-L1318 HydrophobicContact CB-CD1 3.49Å; A818-L1318 VanDerWaalsContact CB-CD1 3.49Å; A818-L1318 HydrophobicContact CB-CG 4.45Å; A818-V1322 HydrophobicContact CB-CG2 4.2Å |
| 819 | L | 88.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.4 | -177 | 67.4 | 0 | 0 | 0 | 111.7 | I815 L816 H817 H821 K822 R823 Y857 T903 D1069 F1072 L1073 | I815-L819 WeakPolarHBondContact O-CB 3.25Å; I815-L819 PolarHBondContact O-N 3.32Å; L816-L819 WeakPolarHBondContact O-CB 3.44Å; L816-L819 PolarHBondContact O-N 3.2Å; H817-L819 VanDerWaalsContact C-N 3.34Å; H817-L819 PolarHBondContact O-N 3.12Å; L819-H821 VanDerWaalsContact C-N 3.34Å; L819-H821 PolarHBondContact O-N 3.47Å; L819-K822 PolarHBondContact O-N 3.05Å; L819-R823 WeakPolarHBondContact O-CB 3.41Å; L819-R823 WeakPolarHBondContact O-CG 3.42Å; L819-R823 PolarHBondContact O-N 2.86Å; L819-Y857 HydrophobicContact CD2-CE1 4.46Å; L819-Y857 VanDerWaalsContact CD2-OH 3.25Å; L819-Y857 WeakPolarHBondContact CD2-OH 3.3Å; L819-T903 HydrophobicContact CD2-CG2 3.77Å; L819-D1069 WeakPolarHBondContact CD1-OD1 3.46Å; L819-F1072 HydrophobicContact CB-CD1 4.43Å; L819-F1072 HydrophobicContact CB-CE1 3.86Å; L819-F1072 HydrophobicContact CD1-CD1 3.73Å; L819-F1072 HydrophobicContact CD1-CE1 3.95Å; L819-L1073 HydrophobicContact CD1-CD2 4.3Å; L819-L1073 HydrophobicContact CD1-CG 4.4Å; L819-L1073 HydrophobicContact CD2-CD1 4.39Å; L819-L1073 HydrophobicContact CD2-CD2 4.18Å |
| 820 | L | 86.5 | Confident | 84.4 | Confident | 13.25 Ų | 13.25 | 30.1 Ų | 30.1 | 7% | 0.069 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 174.1 | -124.9 | 123.1 | 0 | 0 | 0 | 110.8 | L621 L816 H817 K822 R823 L824 T838 L840 V859 | L621-L820 HydrophobicContact CD2-CD2 4.28Å; L816-L820 WeakPolarHBondContact O-CB 3.33Å; L816-L820 WeakPolarHBondContact O-CG 3.3Å; L816-L820 PolarHBondContact O-N 3.24Å; H817-L820 WeakPolarHBondContact O-CB 3.35Å; H817-L820 PolarHBondContact O-N 3.17Å; L820-K822 PolarHBondContact O-N 3.16Å; L820-R823 PolarHBondContact O-N 3.2Å; L820-R823 VanDerWaalsContact O-N 3.16Å; L820-L824 HydrophobicContact CD1-CD1 4.01Å; L820-L824 HydrophobicContact CD1-CG 4.16Å; L820-L824 HydrophobicContact CD2-CD1 4.2Å; L820-L824 HydrophobicContact CG-CD1 4.17Å; L820-L824 VanDerWaalsContact O-CG 3.29Å; L820-L824 WeakPolarHBondContact O-CG 3.22Å; L820-L824 PolarHBondContact O-N 3Å; L820-T838 HydrophobicContact CD1-CG2 3.89Å; L820-T838 HydrophobicContact CD2-CG2 3.8Å; L820-L840 HydrophobicContact CD1-CD1 3.98Å; L820-L840 HydrophobicContact CD1-CD2 3.93Å; L820-L840 HydrophobicContact CD1-CG 4.28Å; L820-L840 HydrophobicContact CD2-CD1 4.05Å; L820-L840 HydrophobicContact CD2-CD2 4.45Å; L820-L840 HydrophobicContact CD2-CG 4.37Å; L820-V859 HydrophobicContact CD1-CG2 4.25Å; L820-V859 HydrophobicContact CD2-CB 3.97Å; L820-V859 HydrophobicContact CD2-CG1 4.41Å; L820-V859 HydrophobicContact CD2-CG2 3.65Å; L820-V859 HydrophobicContact CG-CB 4.44Å; L820-V859 HydrophobicContact CG-CG1 4.38Å; L820-V859 HydrophobicContact CG-CG2 4.24Å |
| 821 | H | 83.4 | Confident | 84.6 | Confident | 19.75 Ų | 19.75 | 23.3 Ų | 23.3 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 175.9 | -99.4 | -89.3 | 0 | 0 | 0 | 112.8 | L621 F625 H817 A818 L819 R823 L824 N825 V1322 | L621-H821 WeakPolarHBondContact CB-NE2 3.46Å; L621-H821 PolarHBondContact O-CE1 2.85Å; L621-H821 VanDerWaalsContact O-CE1 3.26Å; L621-H821 PolarHBondContact O-NE2 3.02Å; F625-H821 AromaticContact CZ-CD2 3.74Å; F625-H821 AromaticContact CZ-NE2 3.7Å; H817-H821 AromaticContact CE1-CD2 3.38Å; H817-H821 PolarHBondContact CE1-CD2 3.06Å; H817-H821 AromaticContact CE1-NE2 3.39Å; H817-H821 PolarHBondContact CE1-NE2 3.14Å; H817-H821 AromaticContact ND1-CD2 3.63Å; H817-H821 PolarHBondContact ND1-CD2 3.46Å; H817-H821 AromaticContact ND1-NE2 3.84Å; H817-H821 AromaticContact NE2-NE2 3.9Å; H817-H821 PolarHBondContact O-CD2 2.96Å; H817-H821 PolarHBondContact O-N 2.94Å; A818-H821 WeakPolarHBondContact O-CB 3.42Å; A818-H821 PolarHBondContact O-N 3.28Å; L819-H821 VanDerWaalsContact C-N 3.34Å; L819-H821 PolarHBondContact O-N 3.47Å; H821-R823 VanDerWaalsContact C-N 3.28Å; H821-R823 PolarHBondContact O-N 3.16Å; H821-L824 PolarHBondContact O-N 2.97Å; H821-N825 WeakPolarHBondContact O-CB 3.3Å; H821-N825 PolarHBondContact O-N 3.04Å; H821-V1322 HydrophobicContact CB-CG1 4.03Å |
| 822 | K | 84.6 | Confident | 84.6 | Confident | 24.25 Ų | 24.25 | 23.9 Ų | 23.9 | 11% | 0.105 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.1 | -44.3 | 175.8 | 175.4 | 171.6 | 176.3 | 175.9 | 0 | 111.4 | A818 L819 L820 N825 S826 E1068 F1072 | A818-K822 PolarHBondContact O-N 3.36Å; L819-K822 PolarHBondContact O-N 3.05Å; L820-K822 PolarHBondContact O-N 3.16Å; K822-N825 PolarHBondContact O-N 3.13Å; K822-S826 WeakPolarHBondContact O-CB 3.24Å; K822-S826 PolarHBondContact O-N 3.13Å; K822-S826 PolarHBondContact O-OG 3.2Å; K822-E1068 PolarHBondContact NZ-O 2.84Å; K822-E1068 VanDerWaalsContact NZ-O 3.09Å; K822-F1072 HydrophobicContact CB-CE2 4.02Å; K822-F1072 HydrophobicContact CB-CZ 4.2Å; K822-F1072 HydrophobicContact CD-CB 4.28Å; K822-F1072 HydrophobicContact CD-CD1 4.48Å; K822-F1072 HydrophobicContact CD-CD2 3.23Å; K822-F1072 HydrophobicContact CD-CE2 3.53Å; K822-F1072 VanDerWaalsContact CD-CE2 3.46Å; K822-F1072 HydrophobicContact CD-CG 3.77Å; K822-F1072 HydrophobicContact CD-CZ 4.3Å; K822-F1072 HydrophobicContact CG-CD2 4.46Å; K822-F1072 HydrophobicContact CG-CE2 4.36Å |
| 823 | R | 86.3 | Confident | 84.4 | Confident | 2.5 Ų | 2.5 | 25.1 Ų | 25.1 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.7 | -38.3 | -178.6 | -69.3 | -75.2 | 164.6 | -141.8 | 9.6 | 111.7 | L819 L820 H821 S826 F828 L840 Y857 I1065 E1068 D1069 | L819-R823 WeakPolarHBondContact O-CB 3.41Å; L819-R823 WeakPolarHBondContact O-CG 3.42Å; L819-R823 PolarHBondContact O-N 2.86Å; L820-R823 PolarHBondContact O-N 3.2Å; L820-R823 VanDerWaalsContact O-N 3.16Å; H821-R823 VanDerWaalsContact C-N 3.28Å; H821-R823 PolarHBondContact O-N 3.16Å; R823-S826 WeakPolarHBondContact CA-OG 3.46Å; R823-S826 WeakPolarHBondContact O-CB 3.32Å; R823-S826 PolarHBondContact O-N 3.13Å; R823-S826 PolarHBondContact O-OG 3.2Å; R823-F828 HydrophobicContact CB-CD2 4.45Å; R823-F828 WeakPolarHBondContact O-CB 3.35Å; R823-F828 VanDerWaalsContact O-CD2 3.29Å; R823-F828 WeakPolarHBondContact O-CD2 3.21Å; R823-F828 PolarHBondContact O-N 3.36Å; R823-L840 HydrophobicContact CB-CD1 3.59Å; R823-L840 HydrophobicContact CG-CD1 4.49Å; R823-Y857 HydrophobicContact CG-CD1 4.24Å; R823-Y857 HydrophobicContact CG-CE1 3.99Å; R823-I1065 PolarHBondContact NH2-O 3.19Å; R823-I1065 VanDerWaalsContact NH2-O 3.08Å; R823-E1068 IonicContact CZ-OE2 3.03Å; R823-E1068 VanDerWaalsContact CZ-OE2 3.28Å; R823-E1068 IonicContact NH1-OE2 3.2Å; R823-E1068 PolarHBondContact NH1-OE2 3.1Å; R823-E1068 IonicContact NH2-OE2 3.12Å; R823-E1068 PolarHBondContact NH2-OE2 3.18Å; R823-D1069 IonicContact CZ-OD1 3.31Å; R823-D1069 VanDerWaalsContact CZ-OD1 3.29Å; R823-D1069 IonicContact CZ-OD2 2.77Å; R823-D1069 IonicContact NE-OD1 2.88Å; R823-D1069 PolarHBondContact NE-OD1 3.11Å; R823-D1069 VanDerWaalsContact NE-OD1 3.15Å; R823-D1069 IonicContact NE-OD2 3.02Å; R823-D1069 PolarHBondContact NE-OD2 3.49Å; R823-D1069 VanDerWaalsContact NH2-CG 3.35Å; R823-D1069 IonicContact NH2-OD1 3.29Å; R823-D1069 PolarHBondContact NH2-OD1 3.21Å; R823-D1069 IonicContact NH2-OD2 3.35Å; R823-D1069 PolarHBondContact NH2-OD2 3.4Å |
| 824 | L | 84.3 | Confident | 84.1 | Confident | 20.25 Ų | 20.25 | 28.6 Ų | 28.6 | 11% | 0.106 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 171.6 | -68 | 171.6 | 0 | 0 | 0 | 111.9 | L621 L820 H821 S826 G827 F828 V830 L840 | L621-L824 HydrophobicContact CD1-CD1 3.44Å; L621-L824 VanDerWaalsContact CD1-CD1 3.44Å; L820-L824 HydrophobicContact CD1-CD1 4.01Å; L820-L824 HydrophobicContact CD1-CG 4.16Å; L820-L824 HydrophobicContact CD2-CD1 4.2Å; L820-L824 HydrophobicContact CG-CD1 4.17Å; L820-L824 VanDerWaalsContact O-CG 3.29Å; L820-L824 WeakPolarHBondContact O-CG 3.22Å; L820-L824 PolarHBondContact O-N 3Å; H821-L824 PolarHBondContact O-N 2.97Å; L824-S826 VanDerWaalsContact C-N 3.25Å; L824-S826 PolarHBondContact O-N 3.21Å; L824-G827 WeakPolarHBondContact O-CA 3.41Å; L824-G827 PolarHBondContact O-N 3.23Å; L824-F828 WeakPolarHBondContact CD2-O 3.36Å; L824-V830 HydrophobicContact CD2-CG2 4.05Å; L824-L840 HydrophobicContact CD2-CD2 4.08Å |
| 825 | N | 80.4 | Confident | 83.5 | Confident | 94.75 Ų | 94.75 | 29.1 Ų | 29.1 | 51% | 0.507 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.8 | -34.5 | 174.4 | -72.9 | -10.2 | 0 | 0 | 0 | 112.4 | H821 K822 G827 V1322 | H821-N825 WeakPolarHBondContact O-CB 3.3Å; H821-N825 PolarHBondContact O-N 3.04Å; K822-N825 PolarHBondContact O-N 3.13Å; N825-G827 PolarHBondContact O-N 3.1Å; N825-G827 VanDerWaalsContact O-N 3.14Å; N825-V1322 PolarHBondContact ND2-O 3.03Å; N825-V1322 VanDerWaalsContact ND2-O 3.09Å |
| 826 | S | 79.8 | Confident | 82.8 | Confident | 39.25 Ų | 39.25 | 29.7 Ų | 29.7 | 27% | 0.274 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 4.8 | 175.1 | 59 | 0 | 0 | 0 | 0 | 114.5 | K822 R823 L824 F828 K842 | K822-S826 WeakPolarHBondContact O-CB 3.24Å; K822-S826 PolarHBondContact O-N 3.13Å; K822-S826 PolarHBondContact O-OG 3.2Å; R823-S826 WeakPolarHBondContact CA-OG 3.46Å; R823-S826 WeakPolarHBondContact O-CB 3.32Å; R823-S826 PolarHBondContact O-N 3.13Å; R823-S826 PolarHBondContact O-OG 3.2Å; L824-S826 VanDerWaalsContact C-N 3.25Å; L824-S826 PolarHBondContact O-N 3.21Å; S826-F828 VanDerWaalsContact OG-CD2 3.26Å; S826-F828 WeakPolarHBondContact OG-CD2 3.26Å; S826-K842 PolarHBondContact O-NZ 2.94Å |
| 827 | G | 80.2 | Confident | 82.5 | Confident | 40 Ų | 40 | 29.4 Ų | 29.4 | 41% | 0.412 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | 12.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L824 N825 | L824-G827 WeakPolarHBondContact O-CA 3.41Å; L824-G827 PolarHBondContact O-N 3.23Å; N825-G827 PolarHBondContact O-N 3.1Å; N825-G827 VanDerWaalsContact O-N 3.14Å |
| 828 | F | 86.1 | Confident | 82.7 | Confident | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.035 | 16% | 0.163 | C | C | . | . | trans | -76.6 | 160.6 | 170.1 | -72.3 | -106.2 | 0 | 0 | 0 | 111.5 | R823 L824 S826 L840 L841 K842 I855 I1065 | R823-F828 HydrophobicContact CB-CD2 4.45Å; R823-F828 WeakPolarHBondContact O-CB 3.35Å; R823-F828 VanDerWaalsContact O-CD2 3.29Å; R823-F828 WeakPolarHBondContact O-CD2 3.21Å; R823-F828 PolarHBondContact O-N 3.36Å; L824-F828 WeakPolarHBondContact CD2-O 3.36Å; S826-F828 VanDerWaalsContact OG-CD2 3.26Å; S826-F828 WeakPolarHBondContact OG-CD2 3.26Å; F828-L840 HydrophobicContact CB-CB 4.02Å; F828-L840 HydrophobicContact CB-CD1 4.32Å; F828-L840 HydrophobicContact CD1-CB 4.03Å; F828-L840 HydrophobicContact CG-CB 4.41Å; F828-L841 CarbonylContact C-O 3.58Å; F828-L841 VanDerWaalsContact CA-O 3.31Å; F828-L841 WeakPolarHBondContact CA-O 3.33Å; F828-K842 HydrophobicContact CD1-CB 3.61Å; F828-K842 HydrophobicContact CD2-CB 4.21Å; F828-K842 HydrophobicContact CD2-CD 3.84Å; F828-K842 HydrophobicContact CE1-CB 3.63Å; F828-K842 HydrophobicContact CE1-CD 4.45Å; F828-K842 HydrophobicContact CE2-CB 4.26Å; F828-K842 HydrophobicContact CE2-CD 3.63Å; F828-K842 HydrophobicContact CG-CB 3.92Å; F828-K842 HydrophobicContact CG-CD 4.37Å; F828-K842 HydrophobicContact CZ-CB 3.97Å; F828-K842 HydrophobicContact CZ-CD 3.98Å; F828-I855 HydrophobicContact CE1-CB 4.44Å; F828-I855 HydrophobicContact CE1-CG2 4.04Å; F828-I855 HydrophobicContact CZ-CG2 4.23Å; F828-I1065 HydrophobicContact CZ-CD1 4.19Å | ||
| 829 | R | 84.8 | Confident | 82.9 | Confident | 77.25 Ų | 77.25 | 28.2 Ų | 28.2 | 29% | 0.292 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.2 | 179.3 | -58.3 | -160.1 | -178.5 | -100.5 | 3.4 | 111 | V613 F747 I831 L840 L841 | V613-R829 HydrophobicContact CG1-CB 4.24Å; F747-R829 VanDerWaalsContact CD1-CZ 3.4Å; F747-R829 VanDerWaalsContact CD1-NH1 3.29Å; F747-R829 VanDerWaalsContact CD2-NH1 3.29Å; F747-R829 VanDerWaalsContact CE1-CZ 3.45Å; F747-R829 VanDerWaalsContact CE1-NH1 3.35Å; F747-R829 VanDerWaalsContact CE2-NE 3.29Å; R829-I831 PolarHBondContact O-N 2.99Å; R829-L840 CarbonylContact O-C 3.54Å; R829-L840 VanDerWaalsContact O-CA 3.24Å; R829-L840 WeakPolarHBondContact O-CA 3.38Å; R829-L841 PolarHBondContact N-O 3.06Å; R829-L841 PolarHBondContact O-N 3.04Å |
| 830 | V | 86.2 | Confident | 83 | Confident | 4.25 Ų | 4.25 | 28.2 Ų | 28.2 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 126.5 | 175.5 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | V613 F638 P687 L824 T838 L840 | V613-V830 VanDerWaalsContact CG1-O 3.27Å; V613-V830 WeakPolarHBondContact CG1-O 3.32Å; F638-V830 HydrophobicContact CZ-CB 4.18Å; F638-V830 HydrophobicContact CZ-CG1 4.08Å; P687-V830 HydrophobicContact CG-CG1 4.48Å; P687-V830 WeakPolarHBondContact CG-O 3.33Å; L824-V830 HydrophobicContact CD2-CG2 4.05Å; V830-T838 HydrophobicContact CG1-CG2 4.14Å; V830-L840 HydrophobicContact CB-CD2 4.27Å; V830-L840 HydrophobicContact CG2-CD2 3.71Å |
| 831 | I | 85.5 | Confident | 83.1 | Confident | 2.5 Ų | 2.5 | 27.7 Ų | 27.7 | 1% | 0.013 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | -13.1 | 175 | 59.4 | 159.7 | 0 | 0 | 0 | 113.8 | V613 P687 L688 L753 A757 R829 T839 L841 Q856 | V613-I831 HydrophobicContact CG1-CG2 4.14Å; V613-I831 HydrophobicContact CG2-CG2 3.76Å; P687-I831 WeakPolarHBondContact CD-O 3.28Å; P687-I831 VanDerWaalsContact CG-C 3.41Å; P687-I831 WeakPolarHBondContact CG-O 3.33Å; L688-I831 HydrophobicContact CD2-CB 4.19Å; L688-I831 HydrophobicContact CD2-CG2 4.22Å; L688-I831 HydrophobicContact CG-CB 4.45Å; L753-I831 HydrophobicContact CD1-CG2 4.38Å; A757-I831 HydrophobicContact CB-CD1 4.07Å; R829-I831 PolarHBondContact O-N 2.99Å; I831-T839 HydrophobicContact CD1-CG2 3.74Å; I831-T839 HydrophobicContact CG1-CG2 3.69Å; I831-T839 WeakPolarHBondContact CG1-O 3.35Å; I831-T839 PolarHBondContact N-O 3.19Å; I831-L841 HydrophobicContact CB-CB 4.4Å; I831-L841 HydrophobicContact CD1-CB 3.97Å; I831-L841 HydrophobicContact CD1-CD1 4.17Å; I831-L841 HydrophobicContact CD1-CD2 4.43Å; I831-L841 HydrophobicContact CD1-CG 4.37Å; I831-L841 HydrophobicContact CG1-CB 4.07Å; I831-L841 HydrophobicContact CG2-CB 3.48Å; I831-L841 VanDerWaalsContact CG2-CB 3.47Å; I831-L841 HydrophobicContact CG2-CD2 3.81Å; I831-L841 HydrophobicContact CG2-CG 4.28Å; I831-Q856 HydrophobicContact CD1-CG 4.17Å |
| 832 | Y | 84.7 | Confident | 83.2 | Confident | 24.25 Ų | 24.25 | 30.5 Ų | 30.5 | 10% | 0.095 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 139 | 174.4 | 179 | -96.8 | 0 | 0 | 0 | 109.7 | R759 H760 T761 K834 F837 T838 T839 | R759-Y832 HydrophobicContact CB-CD1 4.45Å; R759-Y832 HydrophobicContact CB-CD2 4.08Å; R759-Y832 HydrophobicContact CB-CE1 4.39Å; R759-Y832 HydrophobicContact CB-CE2 3.87Å; R759-Y832 HydrophobicContact CB-CG 4.33Å; R759-Y832 HydrophobicContact CG-CD2 3.72Å; R759-Y832 HydrophobicContact CG-CE2 3.96Å; R759-Y832 HydrophobicContact CG-CG 4.12Å; H760-Y832 VanDerWaalsContact O-CE1 3.27Å; H760-Y832 WeakPolarHBondContact O-CE1 3.41Å; H760-Y832 PolarHBondContact O-OH 3.28Å; T761-Y832 WeakPolarHBondContact CG2-OH 3.4Å; Y832-K834 HydrophobicContact CE1-CB 3.92Å; Y832-K834 HydrophobicContact CE2-CB 4.28Å; Y832-K834 WeakPolarHBondContact OH-CB 3.34Å; Y832-K834 WeakPolarHBondContact OH-CD 3.22Å; Y832-F837 HydrophobicContact CE1-CB 4.38Å; Y832-T838 CarbonylContact O-C 3.58Å; Y832-T838 WeakPolarHBondContact O-CA 3.29Å; Y832-T839 PolarHBondContact N-O 3.13Å; Y832-T839 PolarHBondContact O-N 3.05Å |
| 833 | S | 81.9 | Confident | 83 | Confident | 26 Ų | 26 | 31.6 Ų | 31.6 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 108.3 | 174.3 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | F837 | S833-F837 VanDerWaalsContact CA-O 3.3Å; S833-F837 WeakPolarHBondContact CA-O 3.37Å |
| 834 | K | 77.1 | Confident | 82.5 | Confident | 130.75 Ų | 130.75 | 35.3 Ų | 35.3 | 57% | 0.568 | 19% | 0.194 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 138.5 | 177.2 | -166.1 | 175.3 | 179.9 | 180 | 0 | 111.2 | Y832 G836 F837 | Y832-K834 HydrophobicContact CE1-CB 3.92Å; Y832-K834 HydrophobicContact CE2-CB 4.28Å; Y832-K834 WeakPolarHBondContact OH-CB 3.34Å; Y832-K834 WeakPolarHBondContact OH-CD 3.22Å; K834-G836 VanDerWaalsContact C-N 3.27Å; K834-G836 PolarHBondContact O-N 3.19Å; K834-F837 PolarHBondContact N-O 3.25Å; K834-F837 VanDerWaalsContact N-O 3.09Å; K834-F837 WeakPolarHBondContact O-CB 3.48Å; K834-F837 PolarHBondContact O-N 2.97Å; K834-F837 VanDerWaalsContact O-N 3.13Å |
| 835 | G | 70.6 | Confident | 81.6 | Confident | 38 Ų | 38 | 40 Ų | 40 | 39% | 0.392 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 32.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F837 P861 | G835-F837 VanDerWaalsContact O-CD2 3.27Å; G835-F837 WeakPolarHBondContact O-CD2 3.28Å; G835-F837 PolarHBondContact O-N 3.3Å; G835-P861 WeakPolarHBondContact O-CG 3.5Å |
| 836 | G | 72.7 | Confident | 80.7 | Confident | 15.5 Ų | 15.5 | 39.6 Ų | 39.6 | 16% | 0.16 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -11.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y633 K834 T838 | Y633-G836 VanDerWaalsContact CD1-CA 3.44Å; K834-G836 VanDerWaalsContact C-N 3.27Å; K834-G836 PolarHBondContact O-N 3.19Å; G836-T838 PolarHBondContact O-N 2.88Å |
| 837 | F | 82.3 | Confident | 79.5 | Confident | 2.5 Ų | 2.5 | 46.2 Ų | 46.2 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.3 | 173.6 | -61.1 | -90.4 | 0 | 0 | 0 | 110.2 | H760 F763 Y832 S833 K834 G835 Y860 P861 L888 | H760-F837 HydrophobicContact CB-CB 4.21Å; H760-F837 HydrophobicContact CB-CD1 3.67Å; H760-F837 HydrophobicContact CB-CD2 4.39Å; H760-F837 HydrophobicContact CB-CE1 4.1Å; H760-F837 HydrophobicContact CB-CG 3.97Å; F763-F837 HydrophobicContact CD1-CE1 4.48Å; F763-F837 HydrophobicContact CD1-CZ 4.36Å; F763-F837 AromaticContact CD2-CZ 3.9Å; F763-F837 HydrophobicContact CD2-CZ 3.9Å; F763-F837 HydrophobicContact CE1-CE1 4.4Å; F763-F837 HydrophobicContact CE1-CZ 4.29Å; F763-F837 HydrophobicContact CE2-CE1 4.45Å; F763-F837 HydrophobicContact CE2-CE2 4.42Å; F763-F837 AromaticContact CE2-CZ 3.8Å; F763-F837 HydrophobicContact CE2-CZ 3.8Å; F763-F837 HydrophobicContact CG-CZ 4.26Å; F763-F837 HydrophobicContact CZ-CE1 4.47Å; F763-F837 HydrophobicContact CZ-CZ 4.14Å; Y832-F837 HydrophobicContact CE1-CB 4.38Å; S833-F837 VanDerWaalsContact CA-O 3.3Å; S833-F837 WeakPolarHBondContact CA-O 3.37Å; K834-F837 PolarHBondContact N-O 3.25Å; K834-F837 VanDerWaalsContact N-O 3.09Å; K834-F837 WeakPolarHBondContact O-CB 3.48Å; K834-F837 PolarHBondContact O-N 2.97Å; K834-F837 VanDerWaalsContact O-N 3.13Å; G835-F837 VanDerWaalsContact O-CD2 3.27Å; G835-F837 WeakPolarHBondContact O-CD2 3.28Å; G835-F837 PolarHBondContact O-N 3.3Å; F837-Y860 HydrophobicContact CD1-CD1 4.09Å; F837-Y860 HydrophobicContact CD1-CD2 4.48Å; F837-Y860 HydrophobicContact CD1-CE1 4.37Å; F837-Y860 HydrophobicContact CD1-CG 4.21Å; F837-Y860 AromaticContact CE1-CD1 3.48Å; F837-Y860 HydrophobicContact CE1-CD1 3.48Å; F837-Y860 VanDerWaalsContact CE1-CD1 3.45Å; F837-Y860 AromaticContact CE1-CE1 3.71Å; F837-Y860 HydrophobicContact CE1-CE1 3.71Å; F837-Y860 AromaticContact CE1-CG 4Å; F837-Y860 HydrophobicContact CE1-CG 4.04Å; F837-Y860 HydrophobicContact CZ-CD1 4.47Å; F837-P861 HydrophobicContact CD2-CG 4.32Å; F837-P861 HydrophobicContact CE1-CG 4.39Å; F837-P861 HydrophobicContact CE2-CG 4.22Å; F837-P861 HydrophobicContact CG-CG 4.45Å; F837-P861 HydrophobicContact CZ-CG 4.23Å; F837-L888 HydrophobicContact CE2-CD1 4.24Å; F837-L888 HydrophobicContact CZ-CD1 4.27Å |
| 838 | T | 86.9 | Confident | 78.1 | Confident | 9.5 Ų | 9.5 | 51 Ų | 51 | 6% | 0.058 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.6 | 176.9 | -52.9 | 0 | 0 | 0 | 0 | 110 | L820 V830 Y832 G836 L840 I858 V859 | L820-T838 HydrophobicContact CD1-CG2 3.89Å; L820-T838 HydrophobicContact CD2-CG2 3.8Å; V830-T838 HydrophobicContact CG1-CG2 4.14Å; Y832-T838 CarbonylContact O-C 3.58Å; Y832-T838 WeakPolarHBondContact O-CA 3.29Å; G836-T838 PolarHBondContact O-N 2.88Å; T838-L840 HydrophobicContact CG2-CD2 4.02Å; T838-L840 HydrophobicContact CG2-CG 4.47Å; T838-I858 WeakPolarHBondContact O-CA 3.25Å; T838-V859 PolarHBondContact N-O 3.32Å; T838-V859 PolarHBondContact O-N 3.23Å |
| 839 | T | 88.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.4 | 173.6 | -54 | 0 | 0 | 0 | 0 | 109.9 | I758 I831 Y832 Q856 I858 | I758-T839 PolarHBondContact O-OG1 3.08Å; I831-T839 HydrophobicContact CD1-CG2 3.74Å; I831-T839 HydrophobicContact CG1-CG2 3.69Å; I831-T839 WeakPolarHBondContact CG1-O 3.35Å; I831-T839 PolarHBondContact N-O 3.19Å; Y832-T839 PolarHBondContact N-O 3.13Å; Y832-T839 PolarHBondContact O-N 3.05Å; T839-Q856 HydrophobicContact CG2-CB 4.38Å; T839-I858 HydrophobicContact CG2-CG1 3.99Å |
| 840 | L | 89.9 | Confident | 75.1 | Confident | 0.25 Ų | 0.25 | 53.6 Ų | 53.6 | 0% | 0.001 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 150.6 | 176.7 | -55.5 | -177.2 | 0 | 0 | 0 | 110.5 | L820 R823 L824 F828 R829 V830 T838 Q856 Y857 | L820-L840 HydrophobicContact CD1-CD1 3.98Å; L820-L840 HydrophobicContact CD1-CD2 3.93Å; L820-L840 HydrophobicContact CD1-CG 4.28Å; L820-L840 HydrophobicContact CD2-CD1 4.05Å; L820-L840 HydrophobicContact CD2-CD2 4.45Å; L820-L840 HydrophobicContact CD2-CG 4.37Å; R823-L840 HydrophobicContact CB-CD1 3.59Å; R823-L840 HydrophobicContact CG-CD1 4.49Å; L824-L840 HydrophobicContact CD2-CD2 4.08Å; F828-L840 HydrophobicContact CB-CB 4.02Å; F828-L840 HydrophobicContact CB-CD1 4.32Å; F828-L840 HydrophobicContact CD1-CB 4.03Å; F828-L840 HydrophobicContact CG-CB 4.41Å; R829-L840 CarbonylContact O-C 3.54Å; R829-L840 VanDerWaalsContact O-CA 3.24Å; R829-L840 WeakPolarHBondContact O-CA 3.38Å; V830-L840 HydrophobicContact CB-CD2 4.27Å; V830-L840 HydrophobicContact CG2-CD2 3.71Å; T838-L840 HydrophobicContact CG2-CD2 4.02Å; T838-L840 HydrophobicContact CG2-CG 4.47Å; L840-Q856 CarbonylContact O-C 3.55Å; L840-Q856 VanDerWaalsContact O-CA 3.24Å; L840-Q856 WeakPolarHBondContact O-CA 3.31Å; L840-Y857 WeakPolarHBondContact CB-O 3.36Å; L840-Y857 HydrophobicContact CD1-CD1 4.16Å; L840-Y857 PolarHBondContact N-O 3.07Å; L840-Y857 PolarHBondContact O-N 2.96Å |
| 841 | L | 89.3 | Confident | 73.7 | Confident | 2.5 Ų | 2.5 | 56.4 Ų | 56.4 | 1% | 0.013 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.1 | -179.2 | -175.7 | 71.1 | 0 | 0 | 0 | 111.5 | I749 L753 F828 R829 I831 L854 I855 Q856 | I749-L841 HydrophobicContact CD1-CD2 3.46Å; I749-L841 VanDerWaalsContact CD1-CD2 3.42Å; I749-L841 HydrophobicContact CG2-CD2 4.43Å; L753-L841 HydrophobicContact CD1-CD2 3.52Å; L753-L841 VanDerWaalsContact CD1-CD2 3.49Å; L753-L841 HydrophobicContact CD2-CD1 4.26Å; L753-L841 HydrophobicContact CD2-CD2 3.68Å; L753-L841 HydrophobicContact CG-CD2 4.24Å; F828-L841 CarbonylContact C-O 3.58Å; F828-L841 VanDerWaalsContact CA-O 3.31Å; F828-L841 WeakPolarHBondContact CA-O 3.33Å; R829-L841 PolarHBondContact N-O 3.06Å; R829-L841 PolarHBondContact O-N 3.04Å; I831-L841 HydrophobicContact CB-CB 4.4Å; I831-L841 HydrophobicContact CD1-CB 3.97Å; I831-L841 HydrophobicContact CD1-CD1 4.17Å; I831-L841 HydrophobicContact CD1-CD2 4.43Å; I831-L841 HydrophobicContact CD1-CG 4.37Å; I831-L841 HydrophobicContact CG1-CB 4.07Å; I831-L841 HydrophobicContact CG2-CB 3.48Å; I831-L841 VanDerWaalsContact CG2-CB 3.47Å; I831-L841 HydrophobicContact CG2-CD2 3.81Å; I831-L841 HydrophobicContact CG2-CG 4.28Å; L841-L854 HydrophobicContact CD1-CB 4.14Å; L841-L854 HydrophobicContact CD1-CD2 3.84Å; L841-L854 HydrophobicContact CD2-CD2 3.9Å; L841-L854 HydrophobicContact CG-CD2 3.7Å; L841-I855 CarbonylContact C-O 3.44Å; L841-I855 WeakPolarHBondContact CA-O 3.31Å; L841-Q856 HydrophobicContact CD1-CB 4.38Å; L841-Q856 HydrophobicContact CD1-CG 3.58Å |
| 842 | K | 86 | Confident | 72.7 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 124.5 | 167 | -173.6 | 167.9 | 178.3 | 172.8 | 0 | 109.3 | S826 F828 I855 | S826-K842 PolarHBondContact O-NZ 2.94Å; F828-K842 HydrophobicContact CD1-CB 3.61Å; F828-K842 HydrophobicContact CD2-CB 4.21Å; F828-K842 HydrophobicContact CD2-CD 3.84Å; F828-K842 HydrophobicContact CE1-CB 3.63Å; F828-K842 HydrophobicContact CE1-CD 4.45Å; F828-K842 HydrophobicContact CE2-CB 4.26Å; F828-K842 HydrophobicContact CE2-CD 3.63Å; F828-K842 HydrophobicContact CG-CB 3.92Å; F828-K842 HydrophobicContact CG-CD 4.37Å; F828-K842 HydrophobicContact CZ-CB 3.97Å; F828-K842 HydrophobicContact CZ-CD 3.98Å; K842-I855 PolarHBondContact N-O 3.15Å; K842-I855 PolarHBondContact O-N 2.89Å |
| 843 | E | 80.1 | Confident | 72.1 | Confident | 47.5 Ų | 47.5 | 58.8 Ų | 58.8 | 22% | 0.222 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131 | 174.7 | -171.8 | 178.7 | -124.7 | 0 | 0 | 109.3 | D750 K845 Y852 G853 L854 | D750-E843 PolarHBondContact N-OE1 3.24Å; E843-K845 WeakPolarHBondContact OE2-CE 3.35Å; E843-K845 IonicContact OE2-NZ 2.72Å; E843-K845 PolarHBondContact OE2-NZ 2.78Å; E843-Y852 VanDerWaalsContact CD-CD1 3.49Å; E843-Y852 HydrophobicContact CG-CD1 3.9Å; E843-Y852 VanDerWaalsContact OE1-CD1 3.24Å; E843-Y852 WeakPolarHBondContact OE1-CD1 3.18Å; E843-G853 WeakPolarHBondContact CA-O 2.9Å; E843-L854 HydrophobicContact CB-CD2 4.29Å; E843-L854 HydrophobicContact CG-CD2 4.2Å |
| 844 | H | 75.5 | Confident | 72.2 | Confident | 79.75 Ų | 79.75 | 57.7 Ų | 57.7 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.8 | 178.9 | -173.6 | 80.5 | 0 | 0 | 0 | 109.4 | G853 I911 I914 | H844-G853 PolarHBondContact N-O 3.14Å; H844-G853 PolarHBondContact O-N 3.27Å; H844-I911 HydrophobicContact CB-CD1 4.34Å; H844-I914 WeakPolarHBondContact CD2-CD1 3.36Å; H844-I914 WeakPolarHBondContact NE2-CD1 3.48Å |
| 845 | K | 66 | Low | 72.7 | Confident | 118.5 Ų | 118.5 | 52.2 Ų | 52.2 | 52% | 0.515 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 116.2 | 178.7 | -60.8 | -166.1 | 173.8 | -154.1 | 0 | 109.6 | D750 E843 Q847 Y852 | D750-K845 IonicContact OD2-NZ 3.78Å; D750-K845 PolarHBondContact OD2-NZ 3.21Å; E843-K845 WeakPolarHBondContact OE2-CE 3.35Å; E843-K845 IonicContact OE2-NZ 2.72Å; E843-K845 PolarHBondContact OE2-NZ 2.78Å; K845-Q847 PolarHBondContact O-N 2.81Å; K845-Y852 HydrophobicContact CB-CD1 3.98Å; K845-Y852 HydrophobicContact CB-CE1 4.02Å; K845-Y852 HydrophobicContact CD-CD1 4.2Å; K845-Y852 HydrophobicContact CD-CE1 3.7Å; K845-Y852 VanDerWaalsContact CD-CE1 3.44Å; K845-Y852 VanDerWaalsContact CE-CE1 3.43Å; K845-Y852 WeakPolarHBondContact CE-OH 3.5Å; K845-Y852 HydrophobicContact CG-CD1 3.8Å; K845-Y852 HydrophobicContact CG-CE1 3.69Å; K845-Y852 VanDerWaalsContact NZ-CE1 3.3Å; K845-Y852 PolarHBondContact NZ-OH 2.81Å; K845-Y852 VanDerWaalsContact NZ-OH 3.11Å |
| 846 | R | 61.4 | Low | 73.6 | Confident | 87.25 Ų | 87.25 | 50.4 Ų | 50.4 | 33% | 0.329 | 26% | 0.257 | S | S | . | . | trans | -71.4 | 127.3 | 173.4 | -166.7 | 174.7 | -177.6 | -157.1 | -6.7 | 109.2 | D848 D849 V851 I914 | R846-D848 VanDerWaalsContact C-N 3.27Å; R846-D848 PolarHBondContact O-N 2.92Å; R846-D848 VanDerWaalsContact O-N 3.11Å; R846-D849 IonicContact CZ-OD2 3.11Å; R846-D849 IonicContact NE-OD2 2.67Å; R846-D849 IonicContact NH1-OD2 3.23Å; R846-D849 PolarHBondContact NH1-OD2 2.93Å; R846-D849 IonicContact NH2-OD2 3.13Å; R846-D849 PolarHBondContact NH2-OD2 3.19Å; R846-V851 VanDerWaalsContact CB-O 3.26Å; R846-V851 WeakPolarHBondContact CB-O 3.3Å; R846-V851 PolarHBondContact N-O 2.98Å; R846-V851 VanDerWaalsContact N-O 3.1Å; R846-I914 HydrophobicContact CG-CD1 4.34Å | ||
| 847 | Q | 53.5 | Low | 74.5 | Confident | 177.25 Ų | 177.25 | 49.7 Ų | 49.7 | 83% | 0.828 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.1 | -169.3 | -78.2 | -177.9 | -4.5 | 0 | 0 | 114.4 | K845 | K845-Q847 PolarHBondContact O-N 2.81Š|
| 848 | D | 50.8 | Low | 74.8 | Confident | 139.75 Ų | 139.75 | 49.6 Ų | 49.6 | 75% | 0.747 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -29.4 | -167.8 | -58.5 | -45 | 0 | 0 | 0 | 115.9 | R846 | R846-D848 VanDerWaalsContact C-N 3.27Å; R846-D848 PolarHBondContact O-N 2.92Å; R846-D848 VanDerWaalsContact O-N 3.11Å |
| 849 | D | 54.2 | Low | 74.9 | Confident | 91.75 Ų | 91.75 | 49.3 Ų | 49.3 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -3.7 | -166.7 | -72.1 | -38.3 | 0 | 0 | 0 | 115.1 | R846 V851 | R846-D849 IonicContact CZ-OD2 3.11Å; R846-D849 IonicContact NE-OD2 2.67Å; R846-D849 IonicContact NH1-OD2 3.23Å; R846-D849 PolarHBondContact NH1-OD2 2.93Å; R846-D849 IonicContact NH2-OD2 3.13Å; R846-D849 PolarHBondContact NH2-OD2 3.19Å; D849-V851 HydrophobicContact CB-CB 4.38Å; D849-V851 HydrophobicContact CB-CG2 3.97Å; D849-V851 PolarHBondContact O-N 3.21Å; D849-V851 VanDerWaalsContact O-N 3.1Å |
| 850 | G | 53.4 | Low | 74.9 | Confident | 48 Ų | 48 | 49.3 Ų | 49.3 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | trans | 64.1 | 10.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y852 | G850-Y852 VanDerWaalsContact O-CD2 3.31Å; G850-Y852 WeakPolarHBondContact O-CD2 3.35Å; G850-Y852 WeakPolarHBondContact O-CE1 3.36Å; G850-Y852 WeakPolarHBondContact O-CE2 3.35Å | ||
| 851 | V | 57 | Low | 74.6 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 38% | 0.382 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -80.9 | 126.8 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | D155 R846 D849 | D155-V851 WeakPolarHBondContact OD2-CG2 3.36Å; R846-V851 VanDerWaalsContact CB-O 3.26Å; R846-V851 WeakPolarHBondContact CB-O 3.3Å; R846-V851 PolarHBondContact N-O 2.98Å; R846-V851 VanDerWaalsContact N-O 3.1Å; D849-V851 HydrophobicContact CB-CB 4.38Å; D849-V851 HydrophobicContact CB-CG2 3.97Å; D849-V851 PolarHBondContact O-N 3.21Å; D849-V851 VanDerWaalsContact O-N 3.1Å |
| 852 | Y | 64.7 | Low | 74.3 | Confident | 73.75 Ų | 73.75 | 50 Ų | 50 | 29% | 0.289 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 132.8 | -179.1 | -61 | -83.9 | 0 | 0 | 0 | 110.5 | D750 E843 K845 G850 | D750-Y852 HydrophobicContact CB-CD1 4.32Å; D750-Y852 HydrophobicContact CB-CD2 3.88Å; D750-Y852 HydrophobicContact CB-CE1 4.13Å; D750-Y852 HydrophobicContact CB-CE2 3.77Å; D750-Y852 VanDerWaalsContact CB-CE2 3.45Å; D750-Y852 HydrophobicContact CB-CG 4.24Å; D750-Y852 WeakPolarHBondContact OD2-CE1 3.43Å; D750-Y852 WeakPolarHBondContact OD2-CE2 3.27Å; D750-Y852 VanDerWaalsContact OD2-CZ 3.26Å; D750-Y852 PolarHBondContact OD2-OH 3.17Å; E843-Y852 VanDerWaalsContact CD-CD1 3.49Å; E843-Y852 HydrophobicContact CG-CD1 3.9Å; E843-Y852 VanDerWaalsContact OE1-CD1 3.24Å; E843-Y852 WeakPolarHBondContact OE1-CD1 3.18Å; K845-Y852 HydrophobicContact CB-CD1 3.98Å; K845-Y852 HydrophobicContact CB-CE1 4.02Å; K845-Y852 HydrophobicContact CD-CD1 4.2Å; K845-Y852 HydrophobicContact CD-CE1 3.7Å; K845-Y852 VanDerWaalsContact CD-CE1 3.44Å; K845-Y852 VanDerWaalsContact CE-CE1 3.43Å; K845-Y852 WeakPolarHBondContact CE-OH 3.5Å; K845-Y852 HydrophobicContact CG-CD1 3.8Å; K845-Y852 HydrophobicContact CG-CE1 3.69Å; K845-Y852 VanDerWaalsContact NZ-CE1 3.3Å; K845-Y852 PolarHBondContact NZ-OH 2.81Å; K845-Y852 VanDerWaalsContact NZ-OH 3.11Å; G850-Y852 VanDerWaalsContact O-CD2 3.31Å; G850-Y852 WeakPolarHBondContact O-CD2 3.35Å; G850-Y852 WeakPolarHBondContact O-CE1 3.36Å; G850-Y852 WeakPolarHBondContact O-CE2 3.35Å |
| 853 | G | 73.6 | Confident | 74.1 | Confident | 4.75 Ų | 4.75 | 46.3 Ų | 46.3 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E843 H844 T908 I911 | E843-G853 WeakPolarHBondContact CA-O 2.9Å; H844-G853 PolarHBondContact N-O 3.14Å; H844-G853 PolarHBondContact O-N 3.27Å; G853-T908 WeakPolarHBondContact CA-OG1 3.43Å; G853-I911 VanDerWaalsContact C-CD1 3.44Å; G853-I911 VanDerWaalsContact CA-CD1 3.46Å; G853-I911 VanDerWaalsContact CA-CG1 3.47Å |
| 854 | L | 83.4 | Confident | 74 | Confident | 2.5 Ų | 2.5 | 44.7 Ų | 44.7 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134 | 171.9 | -66 | 169.7 | 0 | 0 | 0 | 111 | I749 A751 L753 L756 L841 E843 I907 T908 I911 | I749-L854 HydrophobicContact CG2-CD2 4.44Å; A751-L854 HydrophobicContact CB-CD1 3.32Å; A751-L854 HydrophobicContact CB-CD2 3.54Å; A751-L854 HydrophobicContact CB-CG 3.86Å; L753-L854 HydrophobicContact CD2-CD1 4.21Å; L753-L854 HydrophobicContact CD2-CD2 3.95Å; L756-L854 HydrophobicContact CB-CD1 4.37Å; L756-L854 HydrophobicContact CD1-CD1 3.79Å; L841-L854 HydrophobicContact CD1-CB 4.14Å; L841-L854 HydrophobicContact CD1-CD2 3.84Å; L841-L854 HydrophobicContact CD2-CD2 3.9Å; L841-L854 HydrophobicContact CG-CD2 3.7Å; E843-L854 HydrophobicContact CB-CD2 4.29Å; E843-L854 HydrophobicContact CG-CD2 4.2Å; L854-I907 WeakPolarHBondContact O-CA 3.26Å; L854-T908 HydrophobicContact CB-CG2 3.8Å; L854-T908 HydrophobicContact CD1-CG2 4.21Å; L854-T908 HydrophobicContact CG-CG2 4.24Å; L854-T908 PolarHBondContact N-OG1 2.97Å; L854-T908 PolarHBondContact O-N 3.19Å; L854-T908 VanDerWaalsContact O-N 3.11Å; L854-T908 PolarHBondContact O-OG1 3.27Å; L854-T908 VanDerWaalsContact O-OG1 3.08Å; L854-I911 WeakPolarHBondContact O-CD1 3.46Å |
| 855 | I | 87.7 | Confident | 74 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.6 | 167.8 | -54.9 | 177.9 | 0 | 0 | 0 | 107.4 | F828 L841 K842 V905 W906 I907 I911 I1065 | F828-I855 HydrophobicContact CE1-CB 4.44Å; F828-I855 HydrophobicContact CE1-CG2 4.04Å; F828-I855 HydrophobicContact CZ-CG2 4.23Å; L841-I855 CarbonylContact C-O 3.44Å; L841-I855 WeakPolarHBondContact CA-O 3.31Å; K842-I855 PolarHBondContact N-O 3.15Å; K842-I855 PolarHBondContact O-N 2.89Å; I855-V905 HydrophobicContact CG2-CG1 4.3Å; I855-W906 CarbonylContact C-O 3.59Å; I855-W906 WeakPolarHBondContact CA-O 3.27Å; I855-I907 HydrophobicContact CB-CG1 4.44Å; I855-I907 HydrophobicContact CD1-CD1 4.19Å; I855-I907 HydrophobicContact CG1-CD1 4.29Å; I855-I907 HydrophobicContact CG1-CG1 4.36Å; I855-I907 HydrophobicContact CG2-CD1 4.38Å; I855-I907 HydrophobicContact CG2-CG1 4.26Å; I855-I911 HydrophobicContact CD1-CD1 4.18Å; I855-I911 HydrophobicContact CG1-CD1 3.56Å; I855-I911 VanDerWaalsContact CG1-CD1 3.44Å; I855-I1065 HydrophobicContact CD1-CD1 4.25Å; I855-I1065 HydrophobicContact CG2-CD1 3.69Å |
| 856 | Q | 89.7 | Confident | 74.3 | Confident | 0.25 Ų | 0.25 | 37.8 Ų | 37.8 | 0% | 0.001 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.3 | 171 | -62.6 | 178.7 | 70 | 0 | 0 | 109.6 | L756 I831 T839 L840 L841 V905 W906 | L756-Q856 PolarHBondContact O-NE2 3.11Å; I831-Q856 HydrophobicContact CD1-CG 4.17Å; T839-Q856 HydrophobicContact CG2-CB 4.38Å; L840-Q856 CarbonylContact O-C 3.55Å; L840-Q856 VanDerWaalsContact O-CA 3.24Å; L840-Q856 WeakPolarHBondContact O-CA 3.31Å; L841-Q856 HydrophobicContact CD1-CB 4.38Å; L841-Q856 HydrophobicContact CD1-CG 3.58Å; Q856-V905 CarbonylContact O-C 3.57Å; Q856-V905 WeakPolarHBondContact O-CA 3.32Å; Q856-W906 HydrophobicContact CB-CB 4.16Å; Q856-W906 HydrophobicContact CG-CB 4.48Å; Q856-W906 PolarHBondContact N-O 2.93Å; Q856-W906 PolarHBondContact O-N 3.05Å |
| 857 | Y | 90.7 | Very high | 74.5 | Confident | 0.5 Ų | 0.5 | 36.9 Ų | 36.9 | 0% | 0.002 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117.6 | -179.8 | -176.6 | -86.4 | 0 | 0 | 0 | 108.7 | L819 R823 L840 V859 T903 E904 V905 I1065 D1069 | L819-Y857 HydrophobicContact CD2-CE1 4.46Å; L819-Y857 VanDerWaalsContact CD2-OH 3.25Å; L819-Y857 WeakPolarHBondContact CD2-OH 3.3Å; R823-Y857 HydrophobicContact CG-CD1 4.24Å; R823-Y857 HydrophobicContact CG-CE1 3.99Å; L840-Y857 WeakPolarHBondContact CB-O 3.36Å; L840-Y857 HydrophobicContact CD1-CD1 4.16Å; L840-Y857 PolarHBondContact N-O 3.07Å; L840-Y857 PolarHBondContact O-N 2.96Å; Y857-V859 HydrophobicContact CD1-CG2 3.92Å; Y857-V859 HydrophobicContact CE1-CG2 3.49Å; Y857-V859 VanDerWaalsContact CE1-CG2 3.43Å; Y857-T903 WeakPolarHBondContact OH-CB 3.45Å; Y857-T903 WeakPolarHBondContact OH-CG2 3.14Å; Y857-E904 CarbonylContact C-O 3.55Å; Y857-E904 WeakPolarHBondContact CA-O 3.4Å; Y857-V905 HydrophobicContact CD2-CG2 3.72Å; Y857-V905 HydrophobicContact CE2-CG2 4Å; Y857-I1065 HydrophobicContact CD2-CG2 3.93Å; Y857-I1065 HydrophobicContact CE2-CG2 3.88Å; Y857-D1069 VanDerWaalsContact CE2-OD2 3.23Å; Y857-D1069 WeakPolarHBondContact CE2-OD2 3.32Å; Y857-D1069 PolarHBondContact OH-OD2 3.02Å |
| 858 | I | 89.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.5 | -173.1 | -50.9 | 179.7 | 0 | 0 | 0 | 108.4 | I758 H760 T838 T839 Y860 T903 E904 W906 | I758-I858 HydrophobicContact CB-CD1 4.08Å; I758-I858 HydrophobicContact CD1-CD1 4.46Å; I758-I858 HydrophobicContact CG2-CD1 3.61Å; H760-I858 VanDerWaalsContact NE2-CD1 3.34Å; H760-I858 WeakPolarHBondContact NE2-CD1 3.33Å; T838-I858 WeakPolarHBondContact O-CA 3.25Å; T839-I858 HydrophobicContact CG2-CG1 3.99Å; I858-Y860 HydrophobicContact CB-CE2 4.46Å; I858-Y860 HydrophobicContact CG2-CD2 4.16Å; I858-Y860 HydrophobicContact CG2-CE2 3.93Å; I858-T903 CarbonylContact O-C 3.44Å; I858-T903 VanDerWaalsContact O-CA 3.32Å; I858-T903 WeakPolarHBondContact O-CA 3.36Å; I858-E904 HydrophobicContact CB-CB 4.12Å; I858-E904 HydrophobicContact CB-CG 4.2Å; I858-E904 HydrophobicContact CD1-CB 4.42Å; I858-E904 HydrophobicContact CD1-CG 4.23Å; I858-E904 HydrophobicContact CG1-CB 4.37Å; I858-E904 HydrophobicContact CG1-CG 4.23Å; I858-E904 PolarHBondContact N-O 3.31Å; I858-E904 PolarHBondContact O-N 3.05Å; I858-W906 VanDerWaalsContact CD1-CD1 3.45Å |
| 859 | V | 88.8 | Confident | 76.1 | Confident | 3.25 Ų | 3.25 | 27.8 Ų | 27.8 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.8 | 171.5 | -177 | 0 | 0 | 0 | 0 | 107.9 | L816 L820 T838 Y857 | L816-V859 HydrophobicContact CB-CG1 4.49Å; L816-V859 HydrophobicContact CD2-CG1 3.75Å; L820-V859 HydrophobicContact CD1-CG2 4.25Å; L820-V859 HydrophobicContact CD2-CB 3.97Å; L820-V859 HydrophobicContact CD2-CG1 4.41Å; L820-V859 HydrophobicContact CD2-CG2 3.65Å; L820-V859 HydrophobicContact CG-CB 4.44Å; L820-V859 HydrophobicContact CG-CG1 4.38Å; L820-V859 HydrophobicContact CG-CG2 4.24Å; T838-V859 PolarHBondContact N-O 3.32Å; T838-V859 PolarHBondContact O-N 3.23Å; Y857-V859 HydrophobicContact CD1-CG2 3.92Å; Y857-V859 HydrophobicContact CE1-CG2 3.49Å; Y857-V859 VanDerWaalsContact CE1-CG2 3.43Å |
| 860 | Y | 87.2 | Confident | 76.7 | Confident | 0.75 Ų | 0.75 | 26.1 Ų | 26.1 | 0% | 0.003 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -83.8 | 153.4 | 173.7 | -74.8 | -123.8 | 0 | 0 | 0 | 109.4 | H760 F763 F771 R793 F837 I858 C902 E904 | H760-Y860 PolarHBondContact CE1-OH 2.74Å; H760-Y860 PolarHBondContact ND1-OH 3.5Å; F763-Y860 AromaticContact CD1-CD1 3.74Å; F763-Y860 HydrophobicContact CD1-CD1 3.9Å; F763-Y860 HydrophobicContact CD1-CE1 4.35Å; F763-Y860 AromaticContact CD2-CD1 3.91Å; F763-Y860 HydrophobicContact CD2-CD1 3.91Å; F763-Y860 AromaticContact CD2-CE1 3.98Å; F763-Y860 HydrophobicContact CD2-CE1 3.98Å; F763-Y860 AromaticContact CE1-CD1 3.72Å; F763-Y860 HydrophobicContact CE1-CD1 3.72Å; F763-Y860 HydrophobicContact CE1-CE1 4.41Å; F763-Y860 AromaticContact CE2-CD1 3.83Å; F763-Y860 HydrophobicContact CE2-CD1 3.83Å; F763-Y860 AromaticContact CE2-CE1 3.87Å; F763-Y860 HydrophobicContact CE2-CE1 3.87Å; F763-Y860 HydrophobicContact CZ-CD1 4.28Å; F771-Y860 WeakPolarHBondContact CE2-OH 3.37Å; F771-Y860 HydrophobicContact CZ-CE1 4.43Å; F771-Y860 WeakPolarHBondContact CZ-OH 3.2Å; R793-Y860 PolarHBondContact NE-OH 3.02Å; R793-Y860 PolarHBondContact NH2-OH 3.02Å; F837-Y860 HydrophobicContact CD1-CD1 4.09Å; F837-Y860 HydrophobicContact CD1-CD2 4.48Å; F837-Y860 HydrophobicContact CD1-CE1 4.37Å; F837-Y860 HydrophobicContact CD1-CG 4.21Å; F837-Y860 AromaticContact CE1-CD1 3.48Å; F837-Y860 HydrophobicContact CE1-CD1 3.48Å; F837-Y860 VanDerWaalsContact CE1-CD1 3.45Å; F837-Y860 AromaticContact CE1-CE1 3.71Å; F837-Y860 HydrophobicContact CE1-CE1 3.71Å; F837-Y860 AromaticContact CE1-CG 4Å; F837-Y860 HydrophobicContact CE1-CG 4.04Å; F837-Y860 HydrophobicContact CZ-CD1 4.47Å; I858-Y860 HydrophobicContact CB-CE2 4.46Å; I858-Y860 HydrophobicContact CG2-CD2 4.16Å; I858-Y860 HydrophobicContact CG2-CE2 3.93Å; Y860-C902 VanDerWaalsContact CB-O 3.3Å; Y860-C902 WeakPolarHBondContact CB-O 3.31Å; Y860-C902 HydrophobicContact CD1-CB 4.17Å; Y860-C902 HydrophobicContact CD2-CB 4.23Å; Y860-C902 WeakPolarHBondContact CD2-O 3.47Å; Y860-C902 HydrophobicContact CG-CB 3.84Å; Y860-C902 PolarHBondContact N-O 3.15Å; Y860-C902 VanDerWaalsContact N-O 3.1Å; Y860-E904 HydrophobicContact CE2-CB 4.01Å; Y860-E904 HydrophobicContact CE2-CG 3.72Å; Y860-E904 WeakPolarHBondContact CE2-OE2 3.37Å; Y860-E904 PolarHBondContact OH-OE1 2.9Å; Y860-E904 PolarHBondContact OH-OE2 3.18Å |
| 861 | P | 84.2 | Confident | 77.3 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -60.2 | 162.7 | 162.3 | 19.9 | -21.2 | 0 | 0 | 0 | 110.4 | Y633 F763 G835 F837 V863 L888 | Y633-P861 HydrophobicContact CD1-CB 4.3Å; Y633-P861 HydrophobicContact CE1-CB 4.15Å; F763-P861 HydrophobicContact CE1-CG 4.33Å; F763-P861 HydrophobicContact CE2-CG 4.12Å; F763-P861 HydrophobicContact CZ-CB 3.91Å; F763-P861 HydrophobicContact CZ-CG 3.75Å; G835-P861 WeakPolarHBondContact O-CG 3.5Å; F837-P861 HydrophobicContact CD2-CG 4.32Å; F837-P861 HydrophobicContact CE1-CG 4.39Å; F837-P861 HydrophobicContact CE2-CG 4.22Å; F837-P861 HydrophobicContact CG-CG 4.45Å; F837-P861 HydrophobicContact CZ-CG 4.23Å; P861-V863 WeakPolarHBondContact O-CG2 3.4Å; P861-V863 PolarHBondContact O-N 3.37Å; P861-L888 HydrophobicContact CB-CD2 4.07Å; P861-L888 HydrophobicContact CG-CD1 4.21Å; P861-L888 HydrophobicContact CG-CD2 3.67Å; P861-L888 VanDerWaalsContact CG-CD2 3.48Å |
| 862 | T | 83.1 | Confident | 77.7 | Confident | 9.75 Ų | 9.75 | 25.1 Ų | 25.1 | 6% | 0.06 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -52.1 | 126.9 | 173.9 | -18.9 | 0 | 0 | 0 | 0 | 110.9 | T809 A812 N813 L816 V899 | T809-T862 HydrophobicContact CG2-CG2 4.11Å; A812-T862 HydrophobicContact CB-CG2 3.56Å; A812-T862 VanDerWaalsContact CB-CG2 3.46Å; N813-T862 WeakPolarHBondContact OD1-CB 3.36Å; N813-T862 VanDerWaalsContact OD1-CG2 3.27Å; N813-T862 WeakPolarHBondContact OD1-CG2 3.31Å; N813-T862 PolarHBondContact OD1-OG1 3.3Å; L816-T862 HydrophobicContact CD1-CG2 3.9Å; L816-T862 VanDerWaalsContact CD1-OG1 3.25Å; L816-T862 WeakPolarHBondContact CD1-OG1 3.41Å; T862-V899 HydrophobicContact CG2-CG1 3.61Å |
| 863 | V | 80.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.1 | -175.9 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | F763 W795 P861 T865 C886 L888 V899 Q900 C902 | F763-V863 HydrophobicContact CD1-CG1 4.45Å; F763-V863 HydrophobicContact CD1-CG2 4.27Å; F763-V863 HydrophobicContact CD2-CG2 4.47Å; F763-V863 HydrophobicContact CE1-CB 4.22Å; F763-V863 HydrophobicContact CE1-CG1 4.12Å; F763-V863 HydrophobicContact CE1-CG2 3.63Å; F763-V863 VanDerWaalsContact CE1-CG2 3.47Å; F763-V863 HydrophobicContact CE2-CG1 4.33Å; F763-V863 HydrophobicContact CE2-CG2 4.16Å; F763-V863 HydrophobicContact CZ-CB 4.37Å; F763-V863 HydrophobicContact CZ-CG1 4.17Å; F763-V863 HydrophobicContact CZ-CG2 3.71Å; W795-V863 HydrophobicContact CH2-CG1 4.34Å; W795-V863 HydrophobicContact CH2-CG2 4.4Å; W795-V863 HydrophobicContact CZ3-CB 4.28Å; W795-V863 HydrophobicContact CZ3-CG1 4.04Å; W795-V863 HydrophobicContact CZ3-CG2 4.17Å; P861-V863 WeakPolarHBondContact O-CG2 3.4Å; P861-V863 PolarHBondContact O-N 3.37Å; V863-T865 HydrophobicContact CB-CG2 4.43Å; V863-T865 HydrophobicContact CG1-CG2 4.05Å; V863-C886 HydrophobicContact CG1-CB 3.9Å; V863-L888 HydrophobicContact CG2-CD2 4.5Å; V863-V899 CarbonylContact O-C 3.55Å; V863-V899 WeakPolarHBondContact O-CA 3.38Å; V863-Q900 HydrophobicContact CB-CB 4.48Å; V863-Q900 PolarHBondContact N-O 3.3Å; V863-Q900 PolarHBondContact O-N 3.14Å; V863-C902 HydrophobicContact CG2-CB 4.15Å |
| 864 | L | 79.5 | Confident | 77.4 | Confident | 14.25 Ų | 14.25 | 24.3 Ų | 24.3 | 8% | 0.075 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.1 | 168.3 | -61.4 | 174.7 | 0 | 0 | 0 | 109.1 | S887 A889 E890 V899 | L864-S887 WeakPolarHBondContact CB-O 3.42Å; L864-S887 PolarHBondContact N-O 2.91Å; L864-S887 VanDerWaalsContact N-O 3.15Å; L864-S887 PolarHBondContact O-N 2.98Å; L864-S887 VanDerWaalsContact O-N 3.11Å; L864-A889 HydrophobicContact CD1-CB 4.16Å; L864-E890 HydrophobicContact CD1-CB 4.35Å; L864-E890 HydrophobicContact CD1-CG 3.92Å; L864-V899 HydrophobicContact CD2-CG2 3.86Å |
| 865 | T | 75 | Confident | 76.3 | Confident | 1.5 Ų | 1.5 | 29.1 Ų | 29.1 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 144.9 | -179.9 | 57 | 0 | 0 | 0 | 0 | 110.1 | W795 V863 F869 S897 E898 Q900 | W795-T865 HydrophobicContact CZ3-CG2 4.42Å; V863-T865 HydrophobicContact CB-CG2 4.43Å; V863-T865 HydrophobicContact CG1-CG2 4.05Å; T865-F869 HydrophobicContact CG2-CD1 4.01Å; T865-F869 HydrophobicContact CG2-CD2 3.8Å; T865-F869 HydrophobicContact CG2-CE1 4Å; T865-F869 HydrophobicContact CG2-CE2 3.82Å; T865-F869 HydrophobicContact CG2-CG 3.9Å; T865-F869 HydrophobicContact CG2-CZ 3.9Å; T865-S897 CarbonylContact O-C 3.52Å; T865-S897 VanDerWaalsContact O-CA 3.29Å; T865-S897 WeakPolarHBondContact O-CA 3.36Å; T865-S897 WeakPolarHBondContact O-CB 3.37Å; T865-E898 PolarHBondContact N-O 3.17Å; T865-E898 PolarHBondContact O-N 3.07Å; T865-E898 PolarHBondContact OG1-O 3.29Å; T865-Q900 HydrophobicContact CG2-CB 4.48Å; T865-Q900 HydrophobicContact CG2-CG 4.25Å |
| 866 | D | 72.5 | Confident | 75 | Confident | 53 Ų | 53 | 29 Ų | 29 | 28% | 0.283 | 16% | 0.163 | S | C | . | . | trans | -76.8 | 164.2 | 177.8 | 93.1 | 17.3 | 0 | 0 | 0 | 112.2 | H868 F869 I894 | D866-H868 PolarHBondContact O-N 3.13Å; D866-H868 VanDerWaalsContact O-N 3.12Å; D866-H868 VanDerWaalsContact OD1-CA 3.26Å; D866-H868 WeakPolarHBondContact OD1-CA 3.29Å; D866-H868 WeakPolarHBondContact OD1-CB 3.27Å; D866-H868 PolarHBondContact OD1-N 2.97Å; D866-H868 IonicContact OD2-CD2 2.97Å; D866-F869 WeakPolarHBondContact O-CB 3.35Å; D866-F869 PolarHBondContact O-N 3.08Å; D866-F869 VanDerWaalsContact O-N 3.14Å; D866-F869 WeakPolarHBondContact OD1-CA 3.25Å; D866-F869 PolarHBondContact OD1-N 2.99Å; D866-I894 HydrophobicContact CB-CG2 3.62Å; D866-I894 VanDerWaalsContact CB-CG2 3.47Å | ||
| 867 | A | 65.9 | Low | 73.6 | Confident | 67.25 Ų | 67.25 | 33.9 Ų | 33.9 | 56% | 0.556 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -14.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L896 | A867-L896 HydrophobicContact CB-CB 4.26Å; A867-L896 HydrophobicContact CB-CD1 4.44Å; A867-L896 WeakPolarHBondContact CB-O 3.16Å; A867-L896 PolarHBondContact N-O 2.9Å |
| 868 | H | 66.3 | Low | 71.8 | Confident | 123 Ų | 123 | 41.2 Ų | 41.2 | 57% | 0.569 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1.3 | 176.2 | -68.4 | -61.9 | 0 | 0 | 0 | 113.2 | D866 D870 D871 A872 | D866-H868 PolarHBondContact O-N 3.13Å; D866-H868 VanDerWaalsContact O-N 3.12Å; D866-H868 VanDerWaalsContact OD1-CA 3.26Å; D866-H868 WeakPolarHBondContact OD1-CA 3.29Å; D866-H868 WeakPolarHBondContact OD1-CB 3.27Å; D866-H868 PolarHBondContact OD1-N 2.97Å; D866-H868 IonicContact OD2-CD2 2.97Å; H868-D870 VanDerWaalsContact C-N 3.33Å; H868-D870 PolarHBondContact O-N 2.93Å; H868-D871 IonicContact ND1-OD2 3.21Å; H868-D871 CarbonylContact O-C 3.55Å; H868-D871 WeakPolarHBondContact O-CA 3.26Å; H868-D871 WeakPolarHBondContact O-CB 3.45Å; H868-D871 PolarHBondContact O-N 3.27Å; H868-D871 VanDerWaalsContact O-N 3.1Å; H868-A872 WeakPolarHBondContact O-CB 3.27Å; H868-A872 PolarHBondContact O-N 3.14Å |
| 869 | F | 71.6 | Confident | 69.9 | Low | 4.25 Ų | 4.25 | 46.2 Ų | 46.2 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.5 | -46.1 | -173.4 | 178.1 | -106.4 | 0 | 0 | 0 | 112.7 | P767 W795 T865 D866 D871 A872 I873 I884 C886 F1135 | P767-F869 HydrophobicContact CB-CZ 4.19Å; P767-F869 HydrophobicContact CG-CE2 4.23Å; P767-F869 HydrophobicContact CG-CZ 3.97Å; W795-F869 HydrophobicContact CE3-CZ 4.38Å; W795-F869 HydrophobicContact CH2-CE2 4.49Å; W795-F869 AromaticContact CH2-CZ 3.88Å; W795-F869 HydrophobicContact CH2-CZ 4.11Å; W795-F869 HydrophobicContact CZ2-CZ 4.27Å; W795-F869 AromaticContact CZ3-CZ 3.96Å; W795-F869 HydrophobicContact CZ3-CZ 4.16Å; T865-F869 HydrophobicContact CG2-CD1 4.01Å; T865-F869 HydrophobicContact CG2-CD2 3.8Å; T865-F869 HydrophobicContact CG2-CE1 4Å; T865-F869 HydrophobicContact CG2-CE2 3.82Å; T865-F869 HydrophobicContact CG2-CG 3.9Å; T865-F869 HydrophobicContact CG2-CZ 3.9Å; D866-F869 WeakPolarHBondContact O-CB 3.35Å; D866-F869 PolarHBondContact O-N 3.08Å; D866-F869 VanDerWaalsContact O-N 3.14Å; D866-F869 WeakPolarHBondContact OD1-CA 3.25Å; D866-F869 PolarHBondContact OD1-N 2.99Å; F869-D871 VanDerWaalsContact C-N 3.35Å; F869-D871 PolarHBondContact O-N 3.14Å; F869-A872 CarbonylContact O-C 3.57Å; F869-A872 PolarHBondContact O-N 3.12Å; F869-I873 HydrophobicContact CD1-CD1 3.71Å; F869-I873 HydrophobicContact CD2-CD1 4.32Å; F869-I873 HydrophobicContact CE1-CD1 3.34Å; F869-I873 HydrophobicContact CE1-CG1 4.43Å; F869-I873 HydrophobicContact CE2-CD1 4.07Å; F869-I873 HydrophobicContact CG-CD1 4.23Å; F869-I873 HydrophobicContact CZ-CD1 3.62Å; F869-I873 VanDerWaalsContact CZ-CD1 3.5Å; F869-I873 HydrophobicContact CZ-CG1 4.41Å; F869-I873 VanDerWaalsContact O-CG1 3.31Å; F869-I873 WeakPolarHBondContact O-CG1 3.26Å; F869-I873 PolarHBondContact O-N 3Å; F869-I884 HydrophobicContact CD2-CG2 3.5Å; F869-I884 HydrophobicContact CE2-CG2 3.55Å; F869-I884 VanDerWaalsContact CE2-CG2 3.47Å; F869-I884 HydrophobicContact CG-CG2 4.3Å; F869-I884 HydrophobicContact CZ-CG2 4.4Å; F869-C886 VanDerWaalsContact CE2-SG 3.59Å; F869-C886 WeakPolarHBondContact CE2-SG 3.39Å; F869-F1135 HydrophobicContact CE1-CE1 4.25Å; F869-F1135 HydrophobicContact CZ-CE1 4.39Å |
| 870 | D | 66.4 | Low | 68.1 | Low | 54.75 Ų | 54.75 | 50.3 Ų | 50.3 | 29% | 0.293 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 177.5 | -91.1 | -28.6 | 0 | 0 | 0 | 113.1 | H868 A872 I873 C874 R1137 | H868-D870 VanDerWaalsContact C-N 3.33Å; H868-D870 PolarHBondContact O-N 2.93Å; D870-A872 VanDerWaalsContact C-N 3.33Å; D870-I873 PolarHBondContact O-N 2.99Å; D870-C874 WeakPolarHBondContact O-CB 3.39Å; D870-C874 PolarHBondContact O-N 3.05Å; D870-C874 PolarHBondContact O-SG 2.87Å; D870-C874 VanDerWaalsContact O-SG 3.32Å; D870-R1137 VanDerWaalsContact CG-NE 3.34Å; D870-R1137 VanDerWaalsContact CG-NH2 3.31Å; D870-R1137 PolarHBondContact O-NH2 2.76Å; D870-R1137 IonicContact OD1-CZ 3.27Å; D870-R1137 IonicContact OD1-NE 3.19Å; D870-R1137 PolarHBondContact OD1-NE 3.09Å; D870-R1137 VanDerWaalsContact OD1-NE 3.11Å; D870-R1137 IonicContact OD1-NH2 3.01Å; D870-R1137 PolarHBondContact OD1-NH2 2.81Å; D870-R1137 IonicContact OD2-CZ 3.1Å; D870-R1137 IonicContact OD2-NE 3.05Å; D870-R1137 PolarHBondContact OD2-NE 3.18Å; D870-R1137 IonicContact OD2-NH1 3.17Å; D870-R1137 IonicContact OD2-NH2 3.66Å; D870-R1137 PolarHBondContact OD2-NH2 3.18Å; D870-R1137 VanDerWaalsContact OD2-NH2 3.14Å |
| 871 | D | 65 | Low | 66.4 | Low | 69.75 Ų | 69.75 | 55 Ų | 55 | 37% | 0.373 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.3 | -35.6 | 175.7 | -175 | 30.4 | 0 | 0 | 0 | 110.7 | H868 F869 C874 K875 | H868-D871 IonicContact ND1-OD2 3.21Å; H868-D871 CarbonylContact O-C 3.55Å; H868-D871 WeakPolarHBondContact O-CA 3.26Å; H868-D871 WeakPolarHBondContact O-CB 3.45Å; H868-D871 PolarHBondContact O-N 3.27Å; H868-D871 VanDerWaalsContact O-N 3.1Å; F869-D871 VanDerWaalsContact C-N 3.35Å; F869-D871 PolarHBondContact O-N 3.14Å; D871-C874 PolarHBondContact O-N 3.03Å; D871-K875 WeakPolarHBondContact O-CA 3.49Å; D871-K875 WeakPolarHBondContact O-CB 3.35Å; D871-K875 WeakPolarHBondContact O-CD 3.29Å; D871-K875 VanDerWaalsContact O-CG 3.27Å; D871-K875 WeakPolarHBondContact O-CG 3.36Å; D871-K875 PolarHBondContact O-N 3.18Å; D871-K875 VanDerWaalsContact OD1-CE 3.25Å; D871-K875 WeakPolarHBondContact OD1-CE 3.4Å; D871-K875 IonicContact OD1-NZ 3.47Å; D871-K875 PolarHBondContact OD1-NZ 2.8Å; D871-K875 VanDerWaalsContact OD1-NZ 3.13Å; D871-K875 VanDerWaalsContact OD2-CE 3.28Å; D871-K875 WeakPolarHBondContact OD2-CE 3.41Å; D871-K875 IonicContact OD2-NZ 3.5Å; D871-K875 PolarHBondContact OD2-NZ 2.86Å |
| 872 | A | 66.3 | Low | 64.9 | Low | 20 Ų | 20 | 56.8 Ų | 56.8 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.8 | -36.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H868 F869 D870 K875 S876 I884 | H868-A872 WeakPolarHBondContact O-CB 3.27Å; H868-A872 PolarHBondContact O-N 3.14Å; F869-A872 CarbonylContact O-C 3.57Å; F869-A872 PolarHBondContact O-N 3.12Å; D870-A872 VanDerWaalsContact C-N 3.33Å; A872-K875 PolarHBondContact O-N 3Å; A872-S876 WeakPolarHBondContact O-CA 3.48Å; A872-S876 WeakPolarHBondContact O-CB 3.39Å; A872-S876 PolarHBondContact O-N 3.03Å; A872-S876 PolarHBondContact O-OG 3.07Å; A872-I884 HydrophobicContact CB-CD1 4.42Å; A872-I884 HydrophobicContact CB-CG1 4.11Å; A872-I884 HydrophobicContact CB-CG2 4.26Å |
| 873 | I | 67.9 | Low | 63.5 | Low | 1.25 Ų | 1.25 | 61.8 Ų | 61.8 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 169.2 | -73.2 | 165.7 | 0 | 0 | 0 | 110.5 | P767 L768 F869 D870 K875 S876 R877 I884 F1135 | P767-I873 HydrophobicContact CG-CG1 4.33Å; L768-I873 HydrophobicContact CD1-CG1 4.49Å; L768-I873 HydrophobicContact CD1-CG2 4.31Å; L768-I873 HydrophobicContact CD2-CG2 4.21Å; F869-I873 HydrophobicContact CD1-CD1 3.71Å; F869-I873 HydrophobicContact CD2-CD1 4.32Å; F869-I873 HydrophobicContact CE1-CD1 3.34Å; F869-I873 HydrophobicContact CE1-CG1 4.43Å; F869-I873 HydrophobicContact CE2-CD1 4.07Å; F869-I873 HydrophobicContact CG-CD1 4.23Å; F869-I873 HydrophobicContact CZ-CD1 3.62Å; F869-I873 VanDerWaalsContact CZ-CD1 3.5Å; F869-I873 HydrophobicContact CZ-CG1 4.41Å; F869-I873 VanDerWaalsContact O-CG1 3.31Å; F869-I873 WeakPolarHBondContact O-CG1 3.26Å; F869-I873 PolarHBondContact O-N 3Å; D870-I873 PolarHBondContact O-N 2.99Å; I873-K875 VanDerWaalsContact C-N 3.32Å; I873-K875 PolarHBondContact O-N 3.22Å; I873-S876 WeakPolarHBondContact CA-OG 3.3Å; I873-S876 PolarHBondContact O-N 3.25Å; I873-S876 PolarHBondContact O-OG 3.32Å; I873-S876 VanDerWaalsContact O-OG 3.09Å; I873-R877 WeakPolarHBondContact O-CB 3.34Å; I873-R877 WeakPolarHBondContact O-CG 3.26Å; I873-R877 PolarHBondContact O-N 2.95Å; I873-R877 VanDerWaalsContact O-N 3.15Å; I873-I884 HydrophobicContact CG1-CD1 3.98Å; I873-F1135 HydrophobicContact CD1-CD1 4.19Å; I873-F1135 HydrophobicContact CD1-CE1 3.46Å; I873-F1135 VanDerWaalsContact CD1-CE1 3.46Å; I873-F1135 HydrophobicContact CD1-CE2 4.5Å; I873-F1135 HydrophobicContact CD1-CZ 3.74Å; I873-F1135 HydrophobicContact CG1-CZ 4.39Å; I873-F1135 HydrophobicContact CG2-CE2 4.31Å; I873-F1135 HydrophobicContact CG2-CZ 4.4Å |
| 874 | C | 64.1 | Low | 62.5 | Low | 60.75 Ų | 60.75 | 62.4 Ų | 62.4 | 41% | 0.41 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 178.3 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | D870 D871 R877 M878 R1137 | D870-C874 WeakPolarHBondContact O-CB 3.39Å; D870-C874 PolarHBondContact O-N 3.05Å; D870-C874 PolarHBondContact O-SG 2.87Å; D870-C874 VanDerWaalsContact O-SG 3.32Å; D871-C874 PolarHBondContact O-N 3.03Å; C874-R877 WeakPolarHBondContact O-CB 3.17Å; C874-R877 PolarHBondContact O-N 3.09Å; C874-M878 WeakPolarHBondContact O-CG 3.36Å; C874-M878 PolarHBondContact O-N 3.36Å; C874-R1137 PolarHBondContact SG-NH1 2.76Å; C874-R1137 PolarHBondContact SG-NH2 2.83Å; C874-R1137 VanDerWaalsContact SG-NH2 3.35Å |
| 875 | K | 60.4 | Low | 61.5 | Low | 104.75 Ų | 104.75 | 68 Ų | 68 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 175.1 | -73.4 | 166.4 | -179.5 | 165.1 | 0 | 112.3 | D871 A872 I873 R877 M878 N879 T882 | D871-K875 WeakPolarHBondContact O-CA 3.49Å; D871-K875 WeakPolarHBondContact O-CB 3.35Å; D871-K875 WeakPolarHBondContact O-CD 3.29Å; D871-K875 VanDerWaalsContact O-CG 3.27Å; D871-K875 WeakPolarHBondContact O-CG 3.36Å; D871-K875 PolarHBondContact O-N 3.18Å; D871-K875 VanDerWaalsContact OD1-CE 3.25Å; D871-K875 WeakPolarHBondContact OD1-CE 3.4Å; D871-K875 IonicContact OD1-NZ 3.47Å; D871-K875 PolarHBondContact OD1-NZ 2.8Å; D871-K875 VanDerWaalsContact OD1-NZ 3.13Å; D871-K875 VanDerWaalsContact OD2-CE 3.28Å; D871-K875 WeakPolarHBondContact OD2-CE 3.41Å; D871-K875 IonicContact OD2-NZ 3.5Å; D871-K875 PolarHBondContact OD2-NZ 2.86Å; A872-K875 PolarHBondContact O-N 3Å; I873-K875 VanDerWaalsContact C-N 3.32Å; I873-K875 PolarHBondContact O-N 3.22Å; K875-R877 VanDerWaalsContact C-N 3.28Å; K875-R877 PolarHBondContact O-N 3.07Å; K875-M878 CarbonylContact O-C 3.52Å; K875-M878 PolarHBondContact O-N 3.17Å; K875-N879 WeakPolarHBondContact O-CA 3.46Å; K875-N879 WeakPolarHBondContact O-CB 3.13Å; K875-N879 PolarHBondContact O-N 2.94Å; K875-T882 HydrophobicContact CB-CG2 4.35Å |
| 876 | S | 61 | Low | 60.8 | Low | 11.5 Ų | 11.5 | 69.2 Ų | 69.2 | 8% | 0.08 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.7 | -27.5 | 177.6 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | L768 A872 I873 M878 N879 T882 | L768-S876 VanDerWaalsContact CD1-OG 3.23Å; L768-S876 WeakPolarHBondContact CD1-OG 3.06Å; A872-S876 WeakPolarHBondContact O-CA 3.48Å; A872-S876 WeakPolarHBondContact O-CB 3.39Å; A872-S876 PolarHBondContact O-N 3.03Å; A872-S876 PolarHBondContact O-OG 3.07Å; I873-S876 WeakPolarHBondContact CA-OG 3.3Å; I873-S876 PolarHBondContact O-N 3.25Å; I873-S876 PolarHBondContact O-OG 3.32Å; I873-S876 VanDerWaalsContact O-OG 3.09Å; S876-M878 PolarHBondContact O-N 3.24Å; S876-N879 WeakPolarHBondContact CA-O 3.41Å; S876-N879 CarbonylContact O-C 3.57Å; S876-N879 VanDerWaalsContact O-C 3.31Å; S876-N879 PolarHBondContact O-N 3.14Å; S876-T882 WeakPolarHBondContact CA-OG1 3.23Å; S876-T882 WeakPolarHBondContact CB-OG1 3.35Å; S876-T882 PolarHBondContact N-OG1 3.26Å |
| 877 | R | 58.7 | Low | 60.3 | Low | 103.25 Ų | 103.25 | 68.2 Ų | 68.2 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.8 | -23 | 169.7 | -70.7 | 177.3 | -178.1 | -165 | 2 | 113 | P227 L768 I873 C874 K875 | P227-R877 HydrophobicContact CB-CG 4.35Å; L768-R877 HydrophobicContact CD1-CG 4.05Å; I873-R877 WeakPolarHBondContact O-CB 3.34Å; I873-R877 WeakPolarHBondContact O-CG 3.26Å; I873-R877 PolarHBondContact O-N 2.95Å; I873-R877 VanDerWaalsContact O-N 3.15Å; C874-R877 WeakPolarHBondContact O-CB 3.17Å; C874-R877 PolarHBondContact O-N 3.09Å; K875-R877 VanDerWaalsContact C-N 3.28Å; K875-R877 PolarHBondContact O-N 3.07Å |
| 878 | M | 52.4 | Low | 60 | Low | 154.5 Ų | 154.5 | 67.9 Ų | 67.9 | 76% | 0.761 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -97.8 | -35.5 | 177.1 | -66.4 | -168.1 | 172.2 | 0 | 0 | 113 | C874 K875 S876 | C874-M878 WeakPolarHBondContact O-CG 3.36Å; C874-M878 PolarHBondContact O-N 3.36Å; K875-M878 CarbonylContact O-C 3.52Å; K875-M878 PolarHBondContact O-N 3.17Å; S876-M878 PolarHBondContact O-N 3.24Å |
| 879 | N | 50.2 | Low | 59.5 | Low | 104 Ų | 104 | 64.4 Ų | 64.4 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | trans | -133.4 | 115 | -177.4 | -73.5 | -25.5 | 0 | 0 | 0 | 110.5 | K875 S876 S881 T882 | K875-N879 WeakPolarHBondContact O-CA 3.46Å; K875-N879 WeakPolarHBondContact O-CB 3.13Å; K875-N879 PolarHBondContact O-N 2.94Å; S876-N879 WeakPolarHBondContact CA-O 3.41Å; S876-N879 CarbonylContact O-C 3.57Å; S876-N879 VanDerWaalsContact O-C 3.31Å; S876-N879 PolarHBondContact O-N 3.14Å; N879-S881 VanDerWaalsContact C-N 3.27Å; N879-S881 PolarHBondContact O-N 3.13Å; N879-T882 HydrophobicContact CB-CG2 4.43Å; N879-T882 PolarHBondContact O-N 3.04Å; N879-T882 PolarHBondContact O-OG1 3.05Å | ||
| 880 | S | 52 | Low | 58.5 | Low | 91 Ų | 91 | 70.5 Ų | 70.5 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 14.4 | -173.6 | 65.5 | 0 | 0 | 0 | 0 | 115.6 | L230 | L230-S880 WeakPolarHBondContact CB-O 3.27Š|
| 881 | S | 50.6 | Low | 57.5 | Low | 97.5 Ų | 97.5 | 75.8 Ų | 75.8 | 68% | 0.682 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | 3.2 | -173.5 | 66.6 | 0 | 0 | 0 | 0 | 114.9 | N879 E883 | N879-S881 VanDerWaalsContact C-N 3.27Å; N879-S881 PolarHBondContact O-N 3.13Å; S881-E883 PolarHBondContact O-N 3.18Å |
| 882 | T | 52.3 | Low | 56.5 | Low | 47.25 Ų | 47.25 | 75.5 Ų | 75.5 | 29% | 0.29 | 42% | 0.42 | S | S | . | . | trans | -81 | 112.3 | 174.6 | 52.2 | 0 | 0 | 0 | 0 | 109.9 | K875 S876 N879 | K875-T882 HydrophobicContact CB-CG2 4.35Å; S876-T882 WeakPolarHBondContact CA-OG1 3.23Å; S876-T882 WeakPolarHBondContact CB-OG1 3.35Å; S876-T882 PolarHBondContact N-OG1 3.26Å; N879-T882 HydrophobicContact CB-CG2 4.43Å; N879-T882 PolarHBondContact O-N 3.04Å; N879-T882 PolarHBondContact O-OG1 3.05Å | ||
| 883 | E | 54.9 | Low | 55.4 | Low | 114.75 Ų | 114.75 | 79.8 Ų | 79.8 | 54% | 0.536 | 45% | 0.447 | S | S | . | . | trans | -66.9 | 133.6 | 169.5 | -65.6 | -176.2 | 165.4 | 0 | 0 | 109.3 | R232 S233 V765 S881 | R232-E883 VanDerWaalsContact C-OE1 3.28Å; R232-E883 WeakPolarHBondContact CA-OE1 3.45Å; R232-E883 PolarHBondContact N-OE1 2.72Å; R232-E883 VanDerWaalsContact N-OE1 3.12Å; S233-E883 WeakPolarHBondContact CA-OE2 3.28Å; S233-E883 VanDerWaalsContact N-CD 3.35Å; S233-E883 PolarHBondContact N-OE1 3.12Å; V765-E883 HydrophobicContact CG1-CG 4.12Å; S881-E883 PolarHBondContact O-N 3.18Å | ||
| 884 | I | 59.2 | Low | 54.4 | Low | 11.5 Ų | 11.5 | 85.3 Ų | 85.3 | 6% | 0.059 | 48% | 0.475 | C | S | . | . | trans | -109.2 | 113.6 | -180 | -59.4 | 175.8 | 0 | 0 | 0 | 107.5 | P767 L768 F869 A872 I873 C886 | P767-I884 HydrophobicContact CG-CB 4.16Å; P767-I884 HydrophobicContact CG-CD1 3.74Å; P767-I884 HydrophobicContact CG-CG1 4.43Å; P767-I884 HydrophobicContact CG-CG2 3.96Å; L768-I884 HydrophobicContact CD1-CD1 4.38Å; F869-I884 HydrophobicContact CD2-CG2 3.5Å; F869-I884 HydrophobicContact CE2-CG2 3.55Å; F869-I884 VanDerWaalsContact CE2-CG2 3.47Å; F869-I884 HydrophobicContact CG-CG2 4.3Å; F869-I884 HydrophobicContact CZ-CG2 4.4Å; A872-I884 HydrophobicContact CB-CD1 4.42Å; A872-I884 HydrophobicContact CB-CG1 4.11Å; A872-I884 HydrophobicContact CB-CG2 4.26Å; I873-I884 HydrophobicContact CG1-CD1 3.98Å; I884-C886 PolarHBondContact O-N 2.97Å | ||
| 885 | H | 59.7 | Low | 53.7 | Low | 131.75 Ų | 131.75 | 86.3 Ų | 86.3 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | trans | -81 | 116.5 | -178.6 | -69 | -69.3 | 0 | 0 | 0 | 111.1 | ||||
| 886 | C | 59.3 | Low | 53.5 | Low | 28.25 Ų | 28.25 | 87.1 Ų | 87.1 | 19% | 0.191 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137 | 163.6 | -59.1 | 0 | 0 | 0 | 0 | 107.9 | F763 V863 F869 I884 | F763-C886 HydrophobicContact CD1-CB 4.02Å; F763-C886 HydrophobicContact CE1-CB 3.76Å; F763-C886 VanDerWaalsContact CE1-SG 3.59Å; F763-C886 HydrophobicContact CG-CB 4.33Å; F763-C886 HydrophobicContact CZ-CB 4.29Å; V863-C886 HydrophobicContact CG1-CB 3.9Å; F869-C886 VanDerWaalsContact CE2-SG 3.59Å; F869-C886 WeakPolarHBondContact CE2-SG 3.39Å; I884-C886 PolarHBondContact O-N 2.97Å |
| 887 | S | 62.2 | Low | 53.6 | Low | 31.75 Ų | 31.75 | 88.1 Ų | 88.1 | 22% | 0.222 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 153.6 | 178.3 | 69.5 | 0 | 0 | 0 | 0 | 112.3 | L864 C893 | L864-S887 WeakPolarHBondContact CB-O 3.42Å; L864-S887 PolarHBondContact N-O 2.91Å; L864-S887 VanDerWaalsContact N-O 3.15Å; L864-S887 PolarHBondContact O-N 2.98Å; L864-S887 VanDerWaalsContact O-N 3.11Å; S887-C893 PolarHBondContact OG-SG 2.99Å |
| 888 | L | 58.7 | Low | 54.4 | Low | 61 Ų | 61 | 84.6 Ų | 84.6 | 32% | 0.319 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -95.6 | 1.7 | 172.5 | -70.1 | 169.5 | 0 | 0 | 0 | 112.1 | Y633 F763 F837 P861 V863 E890 | Y633-L888 HydrophobicContact CE1-CD2 4.46Å; Y633-L888 HydrophobicContact CE2-CD2 4.42Å; Y633-L888 WeakPolarHBondContact OH-CD2 3.09Å; F763-L888 HydrophobicContact CD2-CD1 4.13Å; F763-L888 HydrophobicContact CD2-CG 4.22Å; F763-L888 HydrophobicContact CE2-CD1 4.13Å; F763-L888 HydrophobicContact CE2-CD2 3.59Å; F763-L888 VanDerWaalsContact CE2-CD2 3.5Å; F763-L888 HydrophobicContact CE2-CG 3.59Å; F763-L888 VanDerWaalsContact CE2-CG 3.47Å; F763-L888 HydrophobicContact CZ-CD2 4.21Å; F763-L888 HydrophobicContact CZ-CG 4.49Å; F837-L888 HydrophobicContact CE2-CD1 4.24Å; F837-L888 HydrophobicContact CZ-CD1 4.27Å; P861-L888 HydrophobicContact CB-CD2 4.07Å; P861-L888 HydrophobicContact CG-CD1 4.21Å; P861-L888 HydrophobicContact CG-CD2 3.67Å; P861-L888 VanDerWaalsContact CG-CD2 3.48Å; V863-L888 HydrophobicContact CG2-CD2 4.5Å; L888-E890 VanDerWaalsContact C-N 3.25Å; L888-E890 PolarHBondContact O-N 3.32Å |
| 889 | A | 55.6 | Low | 55.8 | Low | 49.75 Ų | 49.75 | 77.7 Ų | 77.7 | 41% | 0.411 | 46% | 0.458 | S | S | . | . | trans | -115.2 | 113.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L864 N891 A892 | L864-A889 HydrophobicContact CD1-CB 4.16Å; A889-N891 PolarHBondContact O-N 3.15Å; A889-N891 VanDerWaalsContact O-N 3.12Å; A889-A892 WeakPolarHBondContact O-CB 3.46Å; A889-A892 PolarHBondContact O-N 2.87Å | ||
| 890 | E | 51 | Low | 57.5 | Low | 131.25 Ų | 131.25 | 73.2 Ų | 73.2 | 61% | 0.613 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -5.5 | 178.1 | -68.3 | -177.7 | 174.6 | 0 | 0 | 112.3 | T809 L864 L888 A892 C893 | T809-E890 VanDerWaalsContact CB-OE1 3.26Å; T809-E890 WeakPolarHBondContact CB-OE1 3.34Å; T809-E890 WeakPolarHBondContact CG2-OE1 3.45Å; T809-E890 PolarHBondContact OG1-OE1 3.16Å; L864-E890 HydrophobicContact CD1-CB 4.35Å; L864-E890 HydrophobicContact CD1-CG 3.92Å; L888-E890 VanDerWaalsContact C-N 3.25Å; L888-E890 PolarHBondContact O-N 3.32Å; E890-A892 VanDerWaalsContact C-N 3.3Å; E890-A892 WeakPolarHBondContact O-CB 3.29Å; E890-A892 PolarHBondContact O-N 3.05Å; E890-A892 VanDerWaalsContact O-N 3.16Å; E890-C893 PolarHBondContact O-N 3.35Å |
| 891 | N | 45.8 | Very low | 59.2 | Low | 165.75 Ų | 165.75 | 68.9 Ų | 68.9 | 89% | 0.886 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -0.4 | 174.9 | -68 | -27.9 | 0 | 0 | 0 | 116.9 | A889 C893 | A889-N891 PolarHBondContact O-N 3.15Å; A889-N891 VanDerWaalsContact O-N 3.12Å; N891-C893 PolarHBondContact O-N 3.15Å |
| 892 | A | 44.7 | Very low | 61 | Low | 64.5 Ų | 64.5 | 64.2 Ų | 64.2 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -89.5 | 95.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | A889 E890 I894 | A889-A892 WeakPolarHBondContact O-CB 3.46Å; A889-A892 PolarHBondContact O-N 2.87Å; E890-A892 VanDerWaalsContact C-N 3.3Å; E890-A892 WeakPolarHBondContact O-CB 3.29Å; E890-A892 PolarHBondContact O-N 3.05Å; E890-A892 VanDerWaalsContact O-N 3.16Å; A892-I894 HydrophobicContact CB-CD1 4.18Å; A892-I894 HydrophobicContact CB-CG1 4.2Å; A892-I894 PolarHBondContact O-N 3.01Å |
| 893 | C | 41.9 | Very low | 62.8 | Low | 110 Ų | 110 | 62 Ų | 62 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | trans | -56.6 | 79.8 | 175.2 | -70.7 | 0 | 0 | 0 | 0 | 115.1 | S887 E890 N891 A895 S897 | S887-C893 PolarHBondContact OG-SG 2.99Å; E890-C893 PolarHBondContact O-N 3.35Å; N891-C893 PolarHBondContact O-N 3.15Å; C893-A895 VanDerWaalsContact C-N 3.26Å; C893-A895 PolarHBondContact O-N 3.18Å; C893-S897 WeakPolarHBondContact CB-OG 3.48Å; C893-S897 PolarHBondContact O-OG 3.41Å | ||
| 894 | I | 46.6 | Very low | 64.4 | Low | 116 Ų | 116 | 56.5 Ų | 56.5 | 60% | 0.595 | 33% | 0.332 | S | S | * | . | trans | -75.4 | 94 | 166.8 | -51.4 | 176 | 0 | 0 | 0 | 110.5 | D866 A892 L896 | D866-I894 HydrophobicContact CB-CG2 3.62Å; D866-I894 VanDerWaalsContact CB-CG2 3.47Å; A892-I894 HydrophobicContact CB-CD1 4.18Å; A892-I894 HydrophobicContact CB-CG1 4.2Å; A892-I894 PolarHBondContact O-N 3.01Å; I894-L896 PolarHBondContact O-N 3.05Å | ||
| 895 | A | 50.4 | Low | 65.8 | Low | 81.75 Ų | 81.75 | 56 Ų | 56 | 68% | 0.676 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 59.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | C893 S897 | C893-A895 VanDerWaalsContact C-N 3.26Å; C893-A895 PolarHBondContact O-N 3.18Å; A895-S897 PolarHBondContact O-N 3.4Å; A895-S897 PolarHBondContact O-OG 2.85Å |
| 896 | L | 55.6 | Low | 67 | Low | 122.25 Ų | 122.25 | 49.8 Ų | 49.8 | 64% | 0.64 | 30% | 0.301 | S | S | * | . | trans | -122.4 | 70.2 | 176.9 | -72.8 | 167.7 | 0 | 0 | 0 | 112 | Q806 A867 I894 | Q806-L896 PolarHBondContact NE2-O 2.95Å; A867-L896 HydrophobicContact CB-CB 4.26Å; A867-L896 HydrophobicContact CB-CD1 4.44Å; A867-L896 WeakPolarHBondContact CB-O 3.16Å; A867-L896 PolarHBondContact N-O 2.9Å; I894-L896 PolarHBondContact O-N 3.05Å | ||
| 897 | S | 64.4 | Low | 68.2 | Low | 33.25 Ų | 33.25 | 48.5 Ų | 48.5 | 23% | 0.233 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -83 | 126.6 | 179.6 | 25.2 | 0 | 0 | 0 | 0 | 112 | Q806 T865 C893 A895 | Q806-S897 VanDerWaalsContact CD-O 3.29Å; Q806-S897 VanDerWaalsContact NE2-C 3.26Å; Q806-S897 PolarHBondContact NE2-O 3.13Å; Q806-S897 PolarHBondContact OE1-O 3.33Å; T865-S897 CarbonylContact O-C 3.52Å; T865-S897 VanDerWaalsContact O-CA 3.29Å; T865-S897 WeakPolarHBondContact O-CA 3.36Å; T865-S897 WeakPolarHBondContact O-CB 3.37Å; C893-S897 WeakPolarHBondContact CB-OG 3.48Å; C893-S897 PolarHBondContact O-OG 3.41Å; A895-S897 PolarHBondContact O-N 3.4Å; A895-S897 PolarHBondContact O-OG 2.85Å |
| 898 | E | 74.4 | Confident | 69 | Low | 28 Ų | 28 | 47.2 Ų | 47.2 | 13% | 0.131 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.6 | 171.9 | -178 | 177.4 | 140.8 | 0 | 0 | 110.7 | S797 K799 T865 Q900 | S797-E898 WeakPolarHBondContact CB-OE1 3.33Å; S797-E898 PolarHBondContact OG-OE1 3.18Å; K799-E898 VanDerWaalsContact CB-CD 3.45Å; K799-E898 HydrophobicContact CB-CG 3.94Å; K799-E898 VanDerWaalsContact CB-OE1 3.27Å; K799-E898 WeakPolarHBondContact CB-OE1 3.39Å; K799-E898 HydrophobicContact CD-CG 4.32Å; K799-E898 WeakPolarHBondContact CD-OE2 3.35Å; K799-E898 IonicContact NZ-OE2 2.76Å; K799-E898 PolarHBondContact NZ-OE2 2.85Å; T865-E898 PolarHBondContact N-O 3.17Å; T865-E898 PolarHBondContact O-N 3.07Å; T865-E898 PolarHBondContact OG1-O 3.29Å; E898-Q900 HydrophobicContact CG-CG 4.35Å; E898-Q900 PolarHBondContact OE1-NE2 3.09Å |
| 899 | V | 82.6 | Confident | 69.4 | Low | 10.75 Ų | 10.75 | 46.7 Ų | 46.7 | 7% | 0.065 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 128.5 | 175.7 | -168 | 0 | 0 | 0 | 0 | 109.9 | L798 M807 A812 T862 V863 L864 | L798-V899 WeakPolarHBondContact CB-O 3.32Å; L798-V899 HydrophobicContact CD1-CB 4.09Å; L798-V899 HydrophobicContact CD1-CG1 3.74Å; L798-V899 WeakPolarHBondContact CD1-O 3.3Å; L798-V899 VanDerWaalsContact CG-O 3.29Å; L798-V899 WeakPolarHBondContact CG-O 3.33Å; M807-V899 VanDerWaalsContact O-CG2 3.3Å; M807-V899 WeakPolarHBondContact O-CG2 3.43Å; A812-V899 HydrophobicContact CB-CG1 3.74Å; T862-V899 HydrophobicContact CG2-CG1 3.61Å; V863-V899 CarbonylContact O-C 3.55Å; V863-V899 WeakPolarHBondContact O-CA 3.38Å; L864-V899 HydrophobicContact CD2-CG2 3.86Å |
| 900 | Q | 85.3 | Confident | 69.7 | Low | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152 | 178.3 | -60.5 | -166.5 | -10.8 | 0 | 0 | 111.9 | W795 W796 S797 V863 T865 E898 | W795-Q900 HydrophobicContact CE3-CB 4.41Å; W796-Q900 WeakPolarHBondContact O-CA 3.32Å; S797-Q900 PolarHBondContact OG-NE2 2.8Å; V863-Q900 HydrophobicContact CB-CB 4.48Å; V863-Q900 PolarHBondContact N-O 3.3Å; V863-Q900 PolarHBondContact O-N 3.14Å; T865-Q900 HydrophobicContact CG2-CB 4.48Å; T865-Q900 HydrophobicContact CG2-CG 4.25Å; E898-Q900 HydrophobicContact CG-CG 4.35Å; E898-Q900 PolarHBondContact OE1-NE2 3.09Å |
| 901 | I | 88.4 | Confident | 70 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.8 | 171.4 | -71.9 | 173.6 | 0 | 0 | 0 | 108.9 | W796 L798 I815 L816 T903 | W796-I901 HydrophobicContact CB-CB 4.16Å; W796-I901 HydrophobicContact CG-CG2 4.44Å; W796-I901 PolarHBondContact N-O 3.19Å; W796-I901 PolarHBondContact O-N 3.26Å; L798-I901 HydrophobicContact CD1-CD1 4.3Å; L798-I901 HydrophobicContact CD1-CG1 4.05Å; L798-I901 HydrophobicContact CD2-CB 4.46Å; L798-I901 HydrophobicContact CD2-CD1 3.9Å; L798-I901 HydrophobicContact CD2-CG1 4.11Å; I815-I901 HydrophobicContact CB-CD1 4.12Å; I815-I901 HydrophobicContact CG2-CD1 3.72Å; L816-I901 HydrophobicContact CD2-CB 4.29Å; L816-I901 HydrophobicContact CD2-CD1 4.07Å; L816-I901 HydrophobicContact CD2-CG1 3.89Å; L816-I901 HydrophobicContact CD2-CG2 3.59Å; L816-I901 HydrophobicContact CG-CD1 4.13Å; L816-I901 HydrophobicContact CG-CG1 4.11Å; I901-T903 HydrophobicContact CG2-CG2 4.21Å |
| 902 | C | 88.4 | Confident | 70.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.5 | 174.4 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | F794 W795 Y860 V863 | F794-C902 WeakPolarHBondContact O-CA 3.32Å; W795-C902 HydrophobicContact CD2-CB 4.25Å; W795-C902 HydrophobicContact CE3-CB 4.06Å; W795-C902 HydrophobicContact CH2-CB 4.27Å; W795-C902 HydrophobicContact CZ2-CB 4.4Å; W795-C902 HydrophobicContact CZ3-CB 4.13Å; Y860-C902 VanDerWaalsContact CB-O 3.3Å; Y860-C902 WeakPolarHBondContact CB-O 3.31Å; Y860-C902 HydrophobicContact CD1-CB 4.17Å; Y860-C902 HydrophobicContact CD2-CB 4.23Å; Y860-C902 WeakPolarHBondContact CD2-O 3.47Å; Y860-C902 HydrophobicContact CG-CB 3.84Å; Y860-C902 PolarHBondContact N-O 3.15Å; Y860-C902 VanDerWaalsContact N-O 3.1Å; V863-C902 HydrophobicContact CG2-CB 4.15Å |
| 903 | T | 90.1 | Very high | 70.3 | Confident | 0.75 Ų | 0.75 | 34.6 Ų | 34.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 148.3 | 178.9 | 54.2 | 0 | 0 | 0 | 0 | 109.9 | R793 F794 W796 L819 Y857 I858 I901 | R793-T903 CarbonylContact C-O 3.49Å; R793-T903 WeakPolarHBondContact CA-O 3.34Å; F794-T903 PolarHBondContact N-O 2.94Å; F794-T903 PolarHBondContact O-N 3.09Å; F794-T903 PolarHBondContact O-OG1 3.13Å; W796-T903 PolarHBondContact NE1-OG1 3.46Å; L819-T903 HydrophobicContact CD2-CG2 3.77Å; Y857-T903 WeakPolarHBondContact OH-CB 3.45Å; Y857-T903 WeakPolarHBondContact OH-CG2 3.14Å; I858-T903 CarbonylContact O-C 3.44Å; I858-T903 VanDerWaalsContact O-CA 3.32Å; I858-T903 WeakPolarHBondContact O-CA 3.36Å; I901-T903 HydrophobicContact CG2-CG2 4.21Å |
| 904 | E | 88.2 | Confident | 70.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 139.9 | -176.3 | -161 | 174.7 | 177.2 | 0 | 0 | 112.2 | H760 F791 R792 R793 Y857 I858 Y860 W906 | H760-E904 IonicContact NE2-OE2 3.67Å; F791-E904 HydrophobicContact CD2-CG 4.3Å; F791-E904 VanDerWaalsContact CD2-OE1 3.26Å; F791-E904 WeakPolarHBondContact CD2-OE1 3.29Å; R792-E904 CarbonylContact O-C 3.57Å; R792-E904 VanDerWaalsContact O-CA 3.27Å; R792-E904 WeakPolarHBondContact O-CA 3.43Å; R792-E904 WeakPolarHBondContact O-CG 3.27Å; R793-E904 HydrophobicContact CB-CB 4.45Å; R793-E904 HydrophobicContact CB-CG 4.13Å; R793-E904 HydrophobicContact CG-CB 4.39Å; R793-E904 HydrophobicContact CG-CG 4.02Å; R793-E904 IonicContact CZ-OE1 3.37Å; R793-E904 IonicContact CZ-OE2 3.05Å; R793-E904 VanDerWaalsContact CZ-OE2 3.24Å; R793-E904 IonicContact NE-OE1 3.3Å; R793-E904 PolarHBondContact NE-OE1 3.48Å; R793-E904 IonicContact NE-OE2 3.57Å; R793-E904 PolarHBondContact NE-OE2 2.86Å; R793-E904 IonicContact NH2-OE1 3.16Å; R793-E904 PolarHBondContact NH2-OE1 3.04Å; R793-E904 IonicContact NH2-OE2 3.54Å; R793-E904 PolarHBondContact NH2-OE2 2.97Å; Y857-E904 CarbonylContact C-O 3.55Å; Y857-E904 WeakPolarHBondContact CA-O 3.4Å; I858-E904 HydrophobicContact CB-CB 4.12Å; I858-E904 HydrophobicContact CB-CG 4.2Å; I858-E904 HydrophobicContact CD1-CB 4.42Å; I858-E904 HydrophobicContact CD1-CG 4.23Å; I858-E904 HydrophobicContact CG1-CB 4.37Å; I858-E904 HydrophobicContact CG1-CG 4.23Å; I858-E904 PolarHBondContact N-O 3.31Å; I858-E904 PolarHBondContact O-N 3.05Å; Y860-E904 HydrophobicContact CE2-CB 4.01Å; Y860-E904 HydrophobicContact CE2-CG 3.72Å; Y860-E904 WeakPolarHBondContact CE2-OE2 3.37Å; Y860-E904 PolarHBondContact OH-OE1 2.9Å; Y860-E904 PolarHBondContact OH-OE2 3.18Å; E904-W906 VanDerWaalsContact CD-NE1 3.26Å; E904-W906 VanDerWaalsContact CG-NE1 3.3Å; E904-W906 VanDerWaalsContact OE1-CZ2 3.23Å; E904-W906 WeakPolarHBondContact OE1-CZ2 3.34Å; E904-W906 PolarHBondContact OE1-NE1 2.94Å; E904-W906 PolarHBondContact OE2-NE1 2.97Å |
| 905 | V | 88.5 | Confident | 69.6 | Low | 0.25 Ų | 0.25 | 30.2 Ų | 30.2 | 0% | 0.002 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.7 | -176.9 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | F791 R792 F794 I855 Q856 Y857 I907 I1065 | F791-V905 CarbonylContact C-O 3.56Å; F791-V905 VanDerWaalsContact CA-O 3.27Å; F791-V905 WeakPolarHBondContact CA-O 3.42Å; R792-V905 PolarHBondContact N-O 3.26Å; R792-V905 PolarHBondContact O-N 3.28Å; F794-V905 HydrophobicContact CD2-CG2 4.42Å; F794-V905 HydrophobicContact CE2-CB 4.4Å; F794-V905 HydrophobicContact CE2-CG2 3.84Å; I855-V905 HydrophobicContact CG2-CG1 4.3Å; Q856-V905 CarbonylContact O-C 3.57Å; Q856-V905 WeakPolarHBondContact O-CA 3.32Å; Y857-V905 HydrophobicContact CD2-CG2 3.72Å; Y857-V905 HydrophobicContact CE2-CG2 4Å; V905-I907 HydrophobicContact CG1-CD1 4.23Å; V905-I907 HydrophobicContact CG1-CG1 4.04Å; V905-I1065 HydrophobicContact CG1-CD1 4.22Å; V905-I1065 HydrophobicContact CG2-CG2 4.14Å |
| 906 | W | 85.8 | Confident | 68.8 | Low | 1.5 Ų | 1.5 | 31.7 Ų | 31.7 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.8 | 179.1 | -69 | 80.9 | 0 | 0 | 0 | 110.6 | I758 P770 F771 C786 M789 K790 F791 I855 Q856 I858 E904 | I758-W906 HydrophobicContact CD1-CB 3.62Å; I758-W906 VanDerWaalsContact CD1-CD1 3.44Å; I758-W906 HydrophobicContact CD1-CD2 3.04Å; I758-W906 HydrophobicContact CD1-CE3 3.35Å; I758-W906 VanDerWaalsContact CD1-CE3 3.44Å; I758-W906 HydrophobicContact CD1-CG 3.18Å; I758-W906 HydrophobicContact CD1-CH2 4.36Å; I758-W906 HydrophobicContact CD1-CZ2 4.18Å; I758-W906 HydrophobicContact CD1-CZ3 4.04Å; I758-W906 HydrophobicContact CG1-CD2 4.45Å; P770-W906 HydrophobicContact CB-CH2 3.64Å; P770-W906 HydrophobicContact CB-CZ2 3.57Å; P770-W906 HydrophobicContact CG-CH2 4.25Å; F771-W906 HydrophobicContact CB-CH2 4.45Å; F771-W906 HydrophobicContact CD2-CH2 4.06Å; F771-W906 AromaticContact CD2-CZ2 3.99Å; F771-W906 HydrophobicContact CD2-CZ2 4.25Å; F771-W906 HydrophobicContact CE2-CH2 4.08Å; F771-W906 HydrophobicContact CE2-CZ2 4.2Å; F771-W906 HydrophobicContact CG-CH2 4.07Å; F771-W906 HydrophobicContact CG-CZ2 4.38Å; C786-W906 HydrophobicContact CB-CH2 4.26Å; C786-W906 HydrophobicContact CB-CZ3 4.22Å; M789-W906 HydrophobicContact CB-CE3 3.81Å; M789-W906 HydrophobicContact CB-CZ3 4.37Å; M789-W906 HydrophobicContact SD-CB 4.43Å; K790-W906 CarbonylContact O-C 3.51Å; K790-W906 VanDerWaalsContact O-CA 3.29Å; K790-W906 WeakPolarHBondContact O-CA 3.28Å; F791-W906 HydrophobicContact CB-CD2 3.38Å; F791-W906 VanDerWaalsContact CB-CD2 3.4Å; F791-W906 VanDerWaalsContact CB-CE2 3.45Å; F791-W906 HydrophobicContact CB-CE3 3.51Å; F791-W906 VanDerWaalsContact CB-CE3 3.47Å; F791-W906 HydrophobicContact CB-CG 4.03Å; F791-W906 HydrophobicContact CB-CH2 3.85Å; F791-W906 HydrophobicContact CB-CZ2 3.74Å; F791-W906 HydrophobicContact CB-CZ3 3.74Å; F791-W906 HydrophobicContact CD1-CH2 4.19Å; F791-W906 HydrophobicContact CD1-CZ2 4.47Å; F791-W906 HydrophobicContact CD1-CZ3 4.27Å; F791-W906 HydrophobicContact CD2-CZ2 4.32Å; F791-W906 HydrophobicContact CG-CD2 4.42Å; F791-W906 HydrophobicContact CG-CE3 4.42Å; F791-W906 AromaticContact CG-CH2 3.94Å; F791-W906 HydrophobicContact CG-CH2 4.02Å; F791-W906 AromaticContact CG-CZ2 3.95Å; F791-W906 HydrophobicContact CG-CZ2 3.99Å; F791-W906 HydrophobicContact CG-CZ3 4.19Å; I855-W906 CarbonylContact C-O 3.59Å; I855-W906 WeakPolarHBondContact CA-O 3.27Å; Q856-W906 HydrophobicContact CB-CB 4.16Å; Q856-W906 HydrophobicContact CG-CB 4.48Å; Q856-W906 PolarHBondContact N-O 2.93Å; Q856-W906 PolarHBondContact O-N 3.05Å; I858-W906 VanDerWaalsContact CD1-CD1 3.45Å; E904-W906 VanDerWaalsContact CD-NE1 3.26Å; E904-W906 VanDerWaalsContact CG-NE1 3.3Å; E904-W906 VanDerWaalsContact OE1-CZ2 3.23Å; E904-W906 WeakPolarHBondContact OE1-CZ2 3.34Å; E904-W906 PolarHBondContact OE1-NE1 2.94Å; E904-W906 PolarHBondContact OE2-NE1 2.97Å |
| 907 | I | 83.3 | Confident | 67.5 | Low | 0.5 Ų | 0.5 | 30.7 Ų | 30.7 | 0% | 0.003 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.4 | -174 | -60.5 | -163.3 | 0 | 0 | 0 | 110.8 | M789 K790 L854 I855 V905 I911 S1061 C1062 | M789-I907 WeakPolarHBondContact CA-O 3.31Å; K790-I907 PolarHBondContact N-O 3.04Å; K790-I907 PolarHBondContact O-N 2.83Å; L854-I907 WeakPolarHBondContact O-CA 3.26Å; I855-I907 HydrophobicContact CB-CG1 4.44Å; I855-I907 HydrophobicContact CD1-CD1 4.19Å; I855-I907 HydrophobicContact CG1-CD1 4.29Å; I855-I907 HydrophobicContact CG1-CG1 4.36Å; I855-I907 HydrophobicContact CG2-CD1 4.38Å; I855-I907 HydrophobicContact CG2-CG1 4.26Å; V905-I907 HydrophobicContact CG1-CD1 4.23Å; V905-I907 HydrophobicContact CG1-CG1 4.04Å; I907-I911 HydrophobicContact CG2-CB 3.87Å; I907-I911 HydrophobicContact CG2-CD1 3.81Å; I907-I911 HydrophobicContact CG2-CG1 4.16Å; I907-I911 HydrophobicContact CG2-CG2 4.28Å; I907-S1061 WeakPolarHBondContact CD1-OG 3.45Å; I907-C1062 HydrophobicContact CD1-CB 4.31Å; I907-C1062 WeakPolarHBondContact CD1-SG 3.25Å; I907-C1062 VanDerWaalsContact CG1-SG 3.58Å |
| 908 | T | 78.8 | Confident | 65.8 | Low | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | trans | -72.6 | 140.2 | 171.1 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | F788 M789 G853 L854 G910 I911 | F788-T908 HydrophobicContact CE1-CG2 4.22Å; M789-T908 HydrophobicContact CE-CG2 4.1Å; M789-T908 HydrophobicContact CG-CG2 4.23Å; M789-T908 HydrophobicContact SD-CG2 4.19Å; G853-T908 WeakPolarHBondContact CA-OG1 3.43Å; L854-T908 HydrophobicContact CB-CG2 3.8Å; L854-T908 HydrophobicContact CD1-CG2 4.21Å; L854-T908 HydrophobicContact CG-CG2 4.24Å; L854-T908 PolarHBondContact N-OG1 2.97Å; L854-T908 PolarHBondContact O-N 3.19Å; L854-T908 VanDerWaalsContact O-N 3.11Å; L854-T908 PolarHBondContact O-OG1 3.27Å; L854-T908 VanDerWaalsContact O-OG1 3.08Å; T908-G910 PolarHBondContact O-N 3.01Å; T908-G910 VanDerWaalsContact O-N 3.11Å; T908-I911 PolarHBondContact O-N 3.09Å | ||
| 909 | P | 67.7 | Low | 63.7 | Low | 50 Ų | 50 | 37.1 Ų | 37.1 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -61.6 | -1.5 | -173.2 | 12.4 | -18.7 | 0 | 0 | 0 | 114.1 | V151 Q154 F788 I911 D912 | V151-P909 HydrophobicContact CB-CB 3.86Å; V151-P909 HydrophobicContact CB-CG 3.53Å; V151-P909 HydrophobicContact CG1-CB 3.77Å; V151-P909 HydrophobicContact CG1-CG 3.81Å; V151-P909 HydrophobicContact CG2-CG 3.79Å; Q154-P909 HydrophobicContact CB-CB 4.31Å; Q154-P909 VanDerWaalsContact OE1-CB 3.3Å; Q154-P909 VanDerWaalsContact OE1-CD 3.28Å; F788-P909 HydrophobicContact CD2-CG 4.44Å; F788-P909 HydrophobicContact CE2-CG 4.24Å; F788-P909 HydrophobicContact CZ-CG 4.33Å; F788-P909 WeakPolarHBondContact O-CD 3.33Å; F788-P909 VanDerWaalsContact O-CG 3.25Å; F788-P909 WeakPolarHBondContact O-CG 3.2Å; P909-I911 PolarHBondContact O-N 3.22Å; P909-I911 VanDerWaalsContact O-N 3.13Å; P909-D912 PolarHBondContact O-N 3.21Å |
| 910 | G | 61 | Low | 61 | Low | 31 Ų | 31 | 45.1 Ų | 45.1 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -82.7 | -19.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T908 | T908-G910 PolarHBondContact O-N 3.01Å; T908-G910 VanDerWaalsContact O-N 3.11Å |
| 911 | I | 58.2 | Low | 58.2 | Low | 5.5 Ų | 5.5 | 51.9 Ų | 51.9 | 3% | 0.028 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -79.1 | -24.3 | 178.9 | -59.1 | -177.8 | 0 | 0 | 0 | 111.9 | H844 G853 L854 I855 I907 T908 P909 N913 I914 S1061 | H844-I911 HydrophobicContact CB-CD1 4.34Å; G853-I911 VanDerWaalsContact C-CD1 3.44Å; G853-I911 VanDerWaalsContact CA-CD1 3.46Å; G853-I911 VanDerWaalsContact CA-CG1 3.47Å; L854-I911 WeakPolarHBondContact O-CD1 3.46Å; I855-I911 HydrophobicContact CD1-CD1 4.18Å; I855-I911 HydrophobicContact CG1-CD1 3.56Å; I855-I911 VanDerWaalsContact CG1-CD1 3.44Å; I907-I911 HydrophobicContact CG2-CB 3.87Å; I907-I911 HydrophobicContact CG2-CD1 3.81Å; I907-I911 HydrophobicContact CG2-CG1 4.16Å; I907-I911 HydrophobicContact CG2-CG2 4.28Å; T908-I911 PolarHBondContact O-N 3.09Å; P909-I911 PolarHBondContact O-N 3.22Å; P909-I911 VanDerWaalsContact O-N 3.13Å; I911-N913 VanDerWaalsContact C-N 3.29Å; I911-N913 PolarHBondContact O-N 2.98Å; I911-N913 VanDerWaalsContact O-N 3.17Å; I911-I914 HydrophobicContact CG2-CD1 3.83Å; I911-I914 HydrophobicContact CG2-CG1 4.41Å; I911-I914 WeakPolarHBondContact O-CB 3.08Å; I911-I914 WeakPolarHBondContact O-CD1 3.37Å; I911-I914 VanDerWaalsContact O-CG1 3.29Å; I911-I914 WeakPolarHBondContact O-CG1 3.34Å; I911-I914 PolarHBondContact O-N 3.36Å; I911-S1061 VanDerWaalsContact CG2-OG 3.22Å; I911-S1061 WeakPolarHBondContact CG2-OG 3.27Å |
| 912 | D | 50.8 | Low | 55.1 | Low | 23.25 Ų | 23.25 | 61.5 Ų | 61.5 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -67.4 | -17.7 | -170 | -70.3 | -34.7 | 0 | 0 | 0 | 114.9 | K790 P909 I914 S915 S1059 | K790-D912 VanDerWaalsContact CD-OD2 3.29Å; K790-D912 WeakPolarHBondContact CD-OD2 3.27Å; K790-D912 VanDerWaalsContact CE-OD2 3.28Å; K790-D912 WeakPolarHBondContact CE-OD2 3.43Å; K790-D912 IonicContact NZ-OD2 3.39Å; K790-D912 PolarHBondContact NZ-OD2 3.3Å; P909-D912 PolarHBondContact O-N 3.21Å; D912-I914 PolarHBondContact O-N 3.02Å; D912-S915 PolarHBondContact O-N 3.39Å; D912-S915 PolarHBondContact O-OG 3.01Å; D912-S1059 VanDerWaalsContact OD1-CA 3.26Å; D912-S1059 WeakPolarHBondContact OD1-CA 3.32Å; D912-S1059 WeakPolarHBondContact OD1-CB 3.35Å; D912-S1059 PolarHBondContact OD1-N 2.88Å |
| 913 | N | 45.3 | Very low | 52.1 | Low | 98.75 Ų | 98.75 | 67.5 Ų | 67.5 | 53% | 0.528 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -87.7 | 4.9 | 179.7 | -77.3 | 0.5 | 0 | 0 | 0 | 113.7 | Q154 R173 I911 S915 S917 | Q154-N913 PolarHBondContact O-ND2 3.09Å; R173-N913 PolarHBondContact NH1-OD1 3.3Å; R173-N913 PolarHBondContact NH2-OD1 2.95Å; I911-N913 VanDerWaalsContact C-N 3.29Å; I911-N913 PolarHBondContact O-N 2.98Å; I911-N913 VanDerWaalsContact O-N 3.17Å; N913-S915 VanDerWaalsContact C-N 3.32Å; N913-S915 PolarHBondContact O-N 3.42Å; N913-S915 VanDerWaalsContact O-N 3.14Å; N913-S917 PolarHBondContact O-OG 2.94Å |
| 914 | I | 40.7 | Very low | 49 | Very low | 65.75 Ų | 65.75 | 72 Ų | 72 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | trans | -78 | 65.4 | 174.2 | -56.4 | 172.8 | 0 | 0 | 0 | 109 | H844 R846 I911 D912 T916 | H844-I914 WeakPolarHBondContact CD2-CD1 3.36Å; H844-I914 WeakPolarHBondContact NE2-CD1 3.48Å; R846-I914 HydrophobicContact CG-CD1 4.34Å; I911-I914 HydrophobicContact CG2-CD1 3.83Å; I911-I914 HydrophobicContact CG2-CG1 4.41Å; I911-I914 WeakPolarHBondContact O-CB 3.08Å; I911-I914 WeakPolarHBondContact O-CD1 3.37Å; I911-I914 VanDerWaalsContact O-CG1 3.29Å; I911-I914 WeakPolarHBondContact O-CG1 3.34Å; I911-I914 PolarHBondContact O-N 3.36Å; D912-I914 PolarHBondContact O-N 3.02Å; I914-T916 PolarHBondContact O-N 3.09Å | ||
| 915 | S | 33.8 | Very low | 46.1 | Very low | 66 Ų | 66 | 79.6 Ų | 79.6 | 46% | 0.462 | 45% | 0.451 | S | S | . | . | trans | -88.8 | 110.5 | 168.6 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | D912 N913 S917 | D912-S915 PolarHBondContact O-N 3.39Å; D912-S915 PolarHBondContact O-OG 3.01Å; N913-S915 VanDerWaalsContact C-N 3.32Å; N913-S915 PolarHBondContact O-N 3.42Å; N913-S915 VanDerWaalsContact O-N 3.14Å; S915-S917 PolarHBondContact O-N 2.82Å; S915-S917 PolarHBondContact OG-OG 3.01Å | ||
| 916 | T | 32.6 | Very low | 43.1 | Very low | 113.25 Ų | 113.25 | 88.8 Ų | 88.8 | 70% | 0.695 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -100.3 | 20 | 171.5 | 42 | 0 | 0 | 0 | 0 | 113.3 | R173 I914 | R173-T916 PolarHBondContact NH2-OG1 2.89Å; I914-T916 PolarHBondContact O-N 3.09Å |
| 917 | S | 29.6 | Very low | 40.2 | Very low | 101.25 Ų | 101.25 | 94.8 Ų | 94.8 | 71% | 0.708 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -116.9 | 7.2 | -175.3 | 54.5 | 0 | 0 | 0 | 0 | 115.1 | N913 S915 | N913-S917 PolarHBondContact O-OG 2.94Å; S915-S917 PolarHBondContact O-N 2.82Å; S915-S917 PolarHBondContact OG-OG 3.01Å |
| 918 | S | 28.6 | Very low | 37.5 | Very low | 74.5 Ų | 74.5 | 103.2 Ų | 103.2 | 52% | 0.521 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -135.1 | 43.4 | 176.5 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | E920 | S918-E920 PolarHBondContact O-N 3.37Š|
| 919 | V | 30 | Very low | 35 | Very low | 121.75 Ų | 121.75 | 111.6 Ų | 111.6 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | trans | -104.4 | 44.3 | 171.4 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 920 | E | 25.7 | Very low | 33 | Very low | 179.5 Ų | 179.5 | 113.7 Ų | 113.7 | 84% | 0.839 | 61% | 0.614 | S | S | * | * | trans | -92 | 118.4 | 162.7 | -69.4 | -171.1 | 155.1 | 0 | 0 | 109.5 | S918 | S918-E920 PolarHBondContact O-N 3.37Š| ||
| 921 | D | 26 | Very low | 31.3 | Very low | 150.75 Ų | 150.75 | 119.3 Ų | 119.3 | 81% | 0.806 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 75.9 | 77.6 | 174.8 | -71.6 | -25.9 | 0 | 0 | 0 | 116.8 | P923 | D921-P923 VanDerWaalsContact O-CD 3.27Å; D921-P923 WeakPolarHBondContact O-CD 3.48Å |
| 922 | R | 24.9 | Very low | 29.8 | Very low | 201.25 Ų | 201.25 | 122.9 Ų | 122.9 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | trans | -131 | 119 | 139.5 | -90.2 | 172.1 | -174.3 | -165.4 | -2 | 110.9 | S924 E925 | R922-S924 VanDerWaalsContact C-N 3.31Å; R922-S924 PolarHBondContact O-N 3.03Å; R922-E925 IonicContact CZ-OE1 3.08Å; R922-E925 IonicContact CZ-OE2 2.8Å; R922-E925 IonicContact NE-OE2 3.55Å; R922-E925 IonicContact NH1-OE1 2.73Å; R922-E925 PolarHBondContact NH1-OE1 2.8Å; R922-E925 IonicContact NH1-OE2 2.73Å; R922-E925 PolarHBondContact NH1-OE2 2.64Å | ||
| 923 | P | 25.1 | Very low | 28.6 | Very low | 127.5 Ų | 127.5 | 127.2 Ų | 127.2 | 83% | 0.828 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -95.5 | 67.4 | 169.3 | 35.4 | -29.3 | 0 | 0 | 0 | 110.3 | D921 E925 | D921-P923 VanDerWaalsContact O-CD 3.27Å; D921-P923 WeakPolarHBondContact O-CD 3.48Å; P923-E925 PolarHBondContact O-N 3.19Å |
| 924 | S | 25 | Very low | 27.6 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 66% | 0.664 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -140.2 | 51.6 | 166.5 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | R922 K926 | R922-S924 VanDerWaalsContact C-N 3.31Å; R922-S924 PolarHBondContact O-N 3.03Å; S924-K926 PolarHBondContact O-N 2.74Å; S924-K926 VanDerWaalsContact O-N 3.16Å |
| 925 | E | 27 | Very low | 26.9 | Very low | 158.75 Ų | 158.75 | 132 Ų | 132 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | trans | -151.3 | 55.6 | 175.7 | -89.2 | 172.3 | -174.8 | 0 | 0 | 114.1 | R922 P923 L927 F928 | R922-E925 IonicContact CZ-OE1 3.08Å; R922-E925 IonicContact CZ-OE2 2.8Å; R922-E925 IonicContact NE-OE2 3.55Å; R922-E925 IonicContact NH1-OE1 2.73Å; R922-E925 PolarHBondContact NH1-OE1 2.8Å; R922-E925 IonicContact NH1-OE2 2.73Å; R922-E925 PolarHBondContact NH1-OE2 2.64Å; P923-E925 PolarHBondContact O-N 3.19Å; E925-L927 VanDerWaalsContact C-N 3.32Å; E925-F928 HydrophobicContact CG-CD2 4.37Å | ||
| 926 | K | 25 | Very low | 26.5 | Very low | 193.25 Ų | 193.25 | 133.6 Ų | 133.6 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | trans | -124.6 | 51.9 | 162.7 | -89.6 | -176.2 | 178.8 | -178.1 | 0 | 111.8 | S924 | S924-K926 PolarHBondContact O-N 2.74Å; S924-K926 VanDerWaalsContact O-N 3.16Å | ||
| 927 | L | 25.8 | Very low | 26.2 | Very low | 127.25 Ų | 127.25 | 136.2 Ų | 136.2 | 67% | 0.666 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -125.8 | 20.4 | 179.5 | -107 | 163.7 | 0 | 0 | 0 | 114.2 | E925 E1214 | E925-L927 VanDerWaalsContact C-N 3.32Å; L927-E1214 WeakPolarHBondContact CD2-OE1 3.22Å |
| 928 | F | 26.3 | Very low | 26.1 | Very low | 178.25 Ų | 178.25 | 136.9 Ų | 136.9 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -129 | 26.3 | 178 | -90.5 | -80.3 | 0 | 0 | 0 | 114.6 | E925 | E925-F928 HydrophobicContact CG-CD2 4.37Š|
| 929 | E | 26 | Very low | 26 | Very low | 181.25 Ų | 181.25 | 136.7 Ų | 136.7 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -135.6 | 25.4 | 168 | -97.5 | -175.4 | 156.2 | 0 | 0 | 113.3 | L931 A932 | E929-L931 PolarHBondContact O-N 2.95Å; E929-A932 PolarHBondContact O-N 2.85Å | ||
| 930 | S | 26.4 | Very low | 25.9 | Very low | 94.75 Ų | 94.75 | 142.3 Ų | 142.3 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -118.8 | 20.3 | -179.7 | 28.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 931 | L | 25.4 | Very low | 26 | Very low | 147.5 Ų | 147.5 | 141.2 Ų | 141.2 | 77% | 0.772 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -118.8 | 12.8 | 175.4 | -84.7 | 168.8 | 0 | 0 | 0 | 114 | E929 V933 L934 | E929-L931 PolarHBondContact O-N 2.95Å; L931-V933 VanDerWaalsContact C-N 3.3Å; L931-L934 HydrophobicContact CD2-CD1 4.14Å |
| 932 | A | 26 | Very low | 26 | Very low | 80.5 Ų | 80.5 | 139 Ų | 139 | 67% | 0.665 | 77% | 0.765 | S | S | * | * | trans | -102 | 6.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E929 L934 | E929-A932 PolarHBondContact O-N 2.85Å; A932-L934 VanDerWaalsContact C-N 3.32Å; A932-L934 PolarHBondContact O-N 3.26Å | ||
| 933 | V | 26 | Very low | 26.1 | Very low | 113.5 Ų | 113.5 | 137.5 Ų | 137.5 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 37.1 | -179.5 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | L931 | L931-V933 VanDerWaalsContact C-N 3.3Š|
| 934 | L | 24.4 | Very low | 26.1 | Very low | 164.25 Ų | 164.25 | 137.9 Ų | 137.9 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 29.3 | 172.2 | -83.8 | 178.2 | 0 | 0 | 0 | 113.7 | L931 A932 | L931-L934 HydrophobicContact CD2-CD1 4.14Å; A932-L934 VanDerWaalsContact C-N 3.32Å; A932-L934 PolarHBondContact O-N 3.26Å |
| 935 | S | 24.9 | Very low | 26.1 | Very low | 101.75 Ų | 101.75 | 143.5 Ų | 143.5 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -133.2 | 40 | 172 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 936 | S | 26 | Very low | 26.1 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | trans | -135.2 | 60.3 | 173.5 | 51.1 | 0 | 0 | 0 | 0 | 113.2 | S938 | S936-S938 PolarHBondContact O-N 3.44Š| ||
| 937 | L | 26.5 | Very low | 26.1 | Very low | 169.25 Ų | 169.25 | 145.6 Ų | 145.6 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | trans | -138.6 | 92.7 | 147.9 | -95 | 162.6 | 0 | 0 | 0 | 111.2 | G939 | L937-G939 PolarHBondContact O-N 3.42Š| ||
| 938 | S | 27.5 | Very low | 26 | Very low | 116.25 Ų | 116.25 | 146 Ų | 146 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -72.1 | 110.2 | 163.4 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | S936 R940 | S936-S938 PolarHBondContact O-N 3.44Å; S938-R940 PolarHBondContact O-N 2.78Å; S938-R940 VanDerWaalsContact O-N 3.09Å | ||
| 939 | G | 26.4 | Very low | 26 | Very low | 69.75 Ų | 69.75 | 146.5 Ų | 146.5 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | 170.4 | 87.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L937 | L937-G939 PolarHBondContact O-N 3.42Š| ||
| 940 | R | 28.3 | Very low | 25.9 | Very low | 239.25 Ų | 239.25 | 146.3 Ų | 146.3 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | trans | -179.4 | 113.4 | 141.6 | -87.7 | 177 | -175.5 | 164.3 | 3.6 | 111.5 | S938 | S938-R940 PolarHBondContact O-N 2.78Å; S938-R940 VanDerWaalsContact O-N 3.09Å | ||
| 941 | D | 26.7 | Very low | 25.8 | Very low | 156.25 Ų | 156.25 | 151.9 Ų | 151.9 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -48 | 147.9 | 155.4 | -80.3 | -49 | 0 | 0 | 0 | 112.4 | ||||
| 942 | S | 26.4 | Very low | 25.7 | Very low | 104.75 Ų | 104.75 | 156.7 Ų | 156.7 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | trans | 96 | 108.7 | 160.9 | 71.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 943 | L | 26.4 | Very low | 25.6 | Very low | 169.5 Ų | 169.5 | 156.9 Ų | 156.9 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | S | Bend | trans | 153.2 | 31.9 | 145.6 | -82.8 | 160.7 | 0 | 0 | 0 | 114.4 | K945 | L943-K945 PolarHBondContact O-N 3.23Š|
| 944 | V | 26.5 | Very low | 25.6 | Very low | 135.5 Ų | 135.5 | 159.5 Ų | 159.5 | 82% | 0.821 | 83% | 0.827 | S | S | * | * | trans | -119.9 | 90.3 | 162 | -174.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 945 | K | 24.3 | Very low | 25.6 | Very low | 212.25 Ų | 212.25 | 157.7 Ų | 157.7 | 92% | 0.923 | 82% | 0.823 | S | S | * | * | trans | -121 | 46.7 | 172.6 | -107.3 | 179.2 | -175.4 | 177.5 | 0 | 112.4 | L943 | L943-K945 PolarHBondContact O-N 3.23Š| ||
| 946 | K | 26.1 | Very low | 25.6 | Very low | 184.25 Ų | 184.25 | 158.6 Ų | 158.6 | 80% | 0.801 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -140.8 | -2.2 | 177.7 | -135.3 | -180 | 178.4 | -177.2 | 0 | 118.5 | ||
| 947 | Y | 25.3 | Very low | 25.5 | Very low | 212.75 Ų | 212.75 | 162.3 Ų | 162.3 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -138.1 | 47.5 | -179.2 | -83.8 | -74.7 | 0 | 0 | 0 | 114.8 | ||
| 948 | V | 24.1 | Very low | 25.7 | Very low | 136 Ų | 136 | 159.6 Ų | 159.6 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | trans | -133.5 | 55 | 169.5 | -172.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 949 | H | 25.5 | Very low | 25.5 | Very low | 188 Ų | 188 | 161.5 Ų | 161.5 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -143 | 45.6 | 172.8 | -125.4 | -73.6 | 0 | 0 | 0 | 112.7 | ||
| 950 | E | 25.3 | Very low | 25.5 | Very low | 177.75 Ų | 177.75 | 167 Ų | 167 | 83% | 0.831 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -154.1 | 70.1 | -177.5 | -109.9 | 173.8 | 176.1 | 0 | 0 | 113.1 | ||
| 951 | F | 24.3 | Very low | 25.3 | Very low | 211 Ų | 211 | 161.8 Ų | 161.8 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -129 | 71.6 | 176.3 | -92.1 | -94.4 | 0 | 0 | 0 | 114.3 | ||||
| 952 | R | 22.3 | Very low | 25.2 | Very low | 249 Ų | 249 | 162.2 Ų | 162.2 | 94% | 0.94 | 83% | 0.83 | S | S | * | * | trans | -143.8 | 56.7 | 165.8 | -140.8 | 179.1 | -170.6 | 177.9 | 3.3 | 113 | ||||
| 953 | A | 24.7 | Very low | 25.1 | Very low | 85.75 Ų | 85.75 | 168.2 Ų | 168.2 | 71% | 0.709 | 84% | 0.837 | S | S | * | * | trans | -147.1 | 127.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 954 | I | 25 | Very low | 25 | Very low | 166.5 Ų | 166.5 | 165.9 Ų | 165.9 | 85% | 0.854 | 83% | 0.834 | S | S | * | * | trans | 153.1 | 105.1 | 151.7 | -64.6 | 156.2 | 0 | 0 | 0 | 109.9 | ||||
| 955 | V | 24.8 | Very low | 25 | Very low | 128 Ų | 128 | 167.4 Ų | 167.4 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | trans | -129.7 | 127.5 | 156.7 | 167.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 956 | C | 24.5 | Very low | 24.9 | Very low | 119 Ų | 119 | 164.5 Ų | 164.5 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -124.1 | 115.2 | 161.4 | -81.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 957 | Q | 25.2 | Very low | 24.9 | Very low | 178.25 Ų | 178.25 | 162.8 Ų | 162.8 | 83% | 0.833 | 82% | 0.822 | S | S | * | * | trans | 95 | 144.3 | 137.5 | -78.8 | -167.9 | 4.6 | 0 | 0 | 116.6 | ||||
| 958 | P | 30 | Very low | 25 | Very low | 112 Ų | 112 | 160.1 Ų | 160.1 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -124.7 | 159.2 | 161.7 | 38 | -23.4 | 0 | 0 | 0 | 115.2 | ||||
| 959 | L | 23.9 | Very low | 25 | Very low | 157 Ų | 157 | 164.2 Ų | 164.2 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | 84.3 | 122 | 161.5 | -86.5 | 144 | 0 | 0 | 0 | 117.5 | ||||
| 960 | E | 24.9 | Very low | 25 | Very low | 183.25 Ų | 183.25 | 161.4 Ų | 161.4 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | 124.5 | 117.2 | 153.3 | -87.8 | -177.2 | 171.7 | 0 | 0 | 115.5 | ||||
| 961 | V | 25.6 | Very low | 25 | Very low | 131.75 Ų | 131.75 | 156.3 Ų | 156.3 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | 179.2 | 103.6 | 129.5 | 178.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 962 | L | 23.8 | Very low | 25.1 | Very low | 164.75 Ų | 164.75 | 154 Ų | 154 | 86% | 0.863 | 81% | 0.813 | S | S | * | * | trans | -109 | 114.8 | 156.8 | -106.5 | 163.2 | 0 | 0 | 0 | 113.6 | ||||
| 963 | R | 23.7 | Very low | 25.1 | Very low | 230.5 Ų | 230.5 | 150.5 Ų | 150.5 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | trans | 113.3 | 103.5 | 164.9 | -65.8 | 176.6 | 173.4 | 170.4 | -1.9 | 114.8 | ||||
| 964 | S | 25.1 | Very low | 25.2 | Very low | 120.25 Ų | 120.25 | 152.1 Ų | 152.1 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -177.7 | 83.5 | 142.7 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 965 | I | 26.1 | Very low | 25.2 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -129.2 | 115.4 | 137.5 | -75.8 | 161.2 | 0 | 0 | 0 | 109.3 | ||||
| 966 | H | 23.5 | Very low | 25.2 | Very low | 151.5 Ų | 151.5 | 155.3 Ų | 155.3 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -144.1 | 114.3 | 172.7 | -139.8 | -66.5 | 0 | 0 | 0 | 112.3 | E734 R736 | E734-H966 VanDerWaalsContact OE2-CB 3.28Å; E734-H966 WeakPolarHBondContact OE2-CB 3.29Å; E734-H966 IonicContact OE2-CE1 3.63Å; E734-H966 IonicContact OE2-CG 3.6Å; E734-H966 IonicContact OE2-ND1 3.49Å; E734-H966 PolarHBondContact OE2-ND1 3.34Å; R736-H966 PolarHBondContact NE-CE1 3.42Å; R736-H966 PolarHBondContact NH2-CD2 3.49Å; R736-H966 PolarHBondContact NH2-CE1 2.84Å; R736-H966 PolarHBondContact NH2-ND1 3.05Å; R736-H966 PolarHBondContact NH2-NE2 2.85Å | ||
| 967 | M | 25.3 | Very low | 25.2 | Very low | 148 Ų | 148 | 159.6 Ų | 159.6 | 73% | 0.729 | 81% | 0.808 | S | S | * | * | trans | 132.9 | 106.6 | 164.6 | -79.2 | -85.2 | -81.5 | 0 | 0 | 112.6 | R736 | R736-M967 HydrophobicContact CG-CE 3.9Å; R736-M967 HydrophobicContact CG-CG 4.18Å; R736-M967 HydrophobicContact CG-SD 4Å; R736-M967 VanDerWaalsContact NE-CG 3.35Å; R736-M967 PolarHBondContact NE-SD 3.38Å | ||
| 968 | L | 27.2 | Very low | 25.3 | Very low | 156.25 Ų | 156.25 | 159.7 Ų | 159.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | -149.4 | 125.8 | 82.2 | -90.9 | 162.8 | 0 | 0 | 0 | 107.8 | |||||
| 969 | R | 25.6 | Very low | 24.9 | Very low | 223.5 Ų | 223.5 | 162.2 Ų | 162.2 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -163.2 | 128.4 | 131.1 | -137.9 | -178.3 | -173.4 | 165.5 | 0.7 | 110.8 | ||||
| 970 | C | 25.1 | Very low | 25 | Very low | 127.5 Ų | 127.5 | 163.5 Ų | 163.5 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | 50.4 | 130 | 159.4 | -68.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 971 | G | 25 | Very low | 25.1 | Very low | 72.5 Ų | 72.5 | 160 Ų | 160 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | -174.1 | 122.2 | 47.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 972 | I | 25 | Very low | 25 | Very low | 161.75 Ų | 161.75 | 161.5 Ų | 161.5 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -131.5 | 117.9 | 143.7 | -56.8 | 176 | 0 | 0 | 0 | 109.9 | V974 | I972-V974 HydrophobicContact CG2-CG2 3.99Å; I972-V974 PolarHBondContact O-N 2.92Å | ||
| 973 | M | 24.1 | Very low | 25.4 | Very low | 176 Ų | 176 | 158.4 Ų | 158.4 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -156.6 | 122 | 151 | -90.5 | -162 | -69.6 | 0 | 0 | 109.1 | ||||
| 974 | V | 25.5 | Very low | 25.6 | Very low | 118.75 Ų | 118.75 | 153.3 Ų | 153.3 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | 131.1 | 122.7 | 87.9 | -170.3 | 0 | 0 | 0 | 0 | 112.7 | I972 R976 | I972-V974 HydrophobicContact CG2-CG2 3.99Å; I972-V974 PolarHBondContact O-N 2.92Å; V974-R976 PolarHBondContact O-N 3.12Å | |||
| 975 | N | 25.3 | Very low | 25.6 | Very low | 146 Ų | 146 | 155 Ų | 155 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | -163.9 | 145.9 | 129.4 | -113.8 | -38.2 | 0 | 0 | 0 | 116.3 | R977 | N975-R977 PolarHBondContact O-N 2.9Š| |||
| 976 | R | 24.5 | Very low | 26 | Very low | 216.5 Ų | 216.5 | 151.8 Ų | 151.8 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | -103.9 | 140.4 | 161.8 | -82.5 | 177 | 172.5 | -173.5 | -2.3 | 114.3 | V974 | V974-R976 PolarHBondContact O-N 3.12Š| ||
| 977 | R | 25 | Very low | 26.2 | Very low | 208.5 Ų | 208.5 | 151.4 Ų | 151.4 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | trans | -166.1 | 136.6 | 144.6 | -77.6 | 174.4 | 175.5 | 168.3 | -1.8 | 113.5 | N975 F979 | N975-R977 PolarHBondContact O-N 2.9Å; R977-F979 HydrophobicContact CG-CD2 4.14Å; R977-F979 HydrophobicContact CG-CE2 4.44Å | ||
| 978 | H | 26.6 | Very low | 26.3 | Very low | 181.25 Ų | 181.25 | 152 Ų | 152 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | 173.3 | 124.1 | 124 | -76.1 | 88.4 | 0 | 0 | 0 | 110.3 | |||||
| 979 | F | 23 | Very low | 26.3 | Very low | 163.5 Ų | 163.5 | 150.3 Ų | 150.3 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | 11.4 | 129.7 | 99.8 | -111.5 | -84.1 | 0 | 0 | 0 | 113.5 | R977 T981 | R977-F979 HydrophobicContact CG-CD2 4.14Å; R977-F979 HydrophobicContact CG-CE2 4.44Å; F979-T981 HydrophobicContact CD1-CG2 4.14Å; F979-T981 HydrophobicContact CE1-CG2 4.08Å | |||
| 980 | F | 26 | Very low | 26.3 | Very low | 185.25 Ų | 185.25 | 147.8 Ų | 147.8 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 153.4 | 131.1 | 145.4 | -90.1 | -77.6 | 0 | 0 | 0 | 111.9 | ||||
| 981 | T | 26.3 | Very low | 26.4 | Very low | 109.25 Ų | 109.25 | 144.9 Ų | 144.9 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | 58.1 | 128 | 116.3 | 36.8 | 0 | 0 | 0 | 0 | 115.7 | F979 | F979-T981 HydrophobicContact CD1-CG2 4.14Å; F979-T981 HydrophobicContact CE1-CG2 4.08Å | |||
| 982 | L | 24.1 | Very low | 26.5 | Very low | 162.75 Ų | 162.75 | 150.4 Ų | 150.4 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -22 | 155.7 | 135.8 | -85 | 160 | 0 | 0 | 0 | 113.8 | ||||
| 983 | P | 32.4 | Very low | 26.7 | Very low | 100.25 Ų | 100.25 | 150.6 Ų | 150.6 | 65% | 0.651 | 78% | 0.777 | S | S | * | * | -147.7 | 169.6 | 69.2 | 39.3 | -20.8 | 0 | 0 | 0 | 117 | |||||
| 984 | T | 27.2 | Very low | 26.8 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 68.4 | 122 | 148.4 | 54.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 985 | L | 25.4 | Very low | 26.8 | Very low | 156.75 Ų | 156.75 | 148 Ų | 148 | 82% | 0.821 | 77% | 0.774 | S | S | * | * | -134.5 | 174.1 | 66.2 | -91.9 | 167.6 | 0 | 0 | 0 | 111.8 | |||||
| 986 | P | 33.8 | Very low | 26.6 | Very low | 99.25 Ų | 99.25 | 151.6 Ų | 151.6 | 64% | 0.644 | 78% | 0.776 | S | S | * | * | -142.7 | -177.7 | -60.6 | 40.7 | -19.4 | 0 | 0 | 0 | 117.6 | |||||
| 987 | N | 26.8 | Very low | 26.6 | Very low | 144.5 Ų | 144.5 | 149.3 Ų | 149.3 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 93.1 | 132.4 | 151.9 | -63 | -24.1 | 0 | 0 | 0 | 115.5 | ||||
| 988 | I | 28.9 | Very low | 26.5 | Very low | 159.5 Ų | 159.5 | 148.9 Ų | 148.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 179.5 | 123.6 | 84.6 | -66.5 | 169.4 | 0 | 0 | 0 | 108.7 | |||||
| 989 | C | 26.1 | Very low | 26.3 | Very low | 120 Ų | 120 | 152.1 Ų | 152.1 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | -171.3 | 154.2 | 80.6 | -111 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 990 | L | 26.8 | Very low | 26.4 | Very low | 172.25 Ų | 172.25 | 148.7 Ų | 148.7 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -133.8 | 150.8 | 165.8 | -90.4 | 151.1 | 0 | 0 | 0 | 112.7 | ||||
| 991 | G | 27.5 | Very low | 26.3 | Very low | 67.25 Ų | 67.25 | 150.7 Ų | 150.7 | 69% | 0.693 | 78% | 0.775 | S | S | * | * | trans | 158.4 | 105.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 992 | K | 26.4 | Very low | 26.7 | Very low | 186.25 Ų | 186.25 | 151.2 Ų | 151.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 42.3 | 135.9 | 131.4 | -71.5 | -177.3 | 163.7 | -147.4 | 0 | 113.2 | ||||
| 993 | E | 28.5 | Very low | 26.8 | Very low | 167.5 Ų | 167.5 | 154.9 Ų | 154.9 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | cis | -174.3 | 134.9 | 35 | -90.1 | 164.1 | -175.3 | 0 | 0 | 110.6 | ||||
| 994 | A | 26.4 | Very low | 26.5 | Very low | 86.25 Ų | 86.25 | 154.3 Ų | 154.3 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | 83.8 | 126 | 86.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 995 | L | 25.2 | Very low | 26.6 | Very low | 154 Ų | 154 | 154.6 Ų | 154.6 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | -167.8 | 119.8 | 125.6 | -80.8 | 166.8 | 0 | 0 | 0 | 114.2 | F997 | L995-F997 HydrophobicContact CD2-CD2 3.52Å; L995-F997 HydrophobicContact CD2-CE2 3.94Å | |||
| 996 | W | 22.8 | Very low | 26.8 | Very low | 220.25 Ų | 220.25 | 152.5 Ų | 152.5 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -9.2 | 122 | 136.6 | -72.5 | 60.5 | 0 | 0 | 0 | 114.9 | ||||
| 997 | F | 24 | Very low | 26.5 | Very low | 168.5 Ų | 168.5 | 153 Ų | 153 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | -173.6 | 137.7 | 113.3 | -98.3 | -102.4 | 0 | 0 | 0 | 113.2 | L995 | L995-F997 HydrophobicContact CD2-CD2 3.52Å; L995-F997 HydrophobicContact CD2-CE2 3.94Å | |||
| 998 | R | 22.3 | Very low | 26.7 | Very low | 201.25 Ų | 201.25 | 148.9 Ų | 148.9 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | 129.7 | 108 | 93.2 | -173.8 | -176.9 | -172.5 | 178.5 | 3.5 | 114.2 | S1000 | R998-S1000 PolarHBondContact NE-OG 2.96Å; R998-S1000 PolarHBondContact O-N 2.76Å | |||
| 999 | W | 23.5 | Very low | 26.9 | Very low | 247 Ų | 247 | 148.4 Ų | 148.4 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | trans | -104.5 | 121.3 | 149.7 | -87.3 | 59.9 | 0 | 0 | 0 | 111.7 | ||||
| 1000 | S | 24.8 | Very low | 27.1 | Very low | 92 Ų | 92 | 145.5 Ų | 145.5 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -158.1 | 126.4 | 149.2 | 43.7 | 0 | 0 | 0 | 0 | 108.8 | R998 | R998-S1000 PolarHBondContact NE-OG 2.96Å; R998-S1000 PolarHBondContact O-N 2.76Å | ||
| 1001 | R | 23.8 | Very low | 27.2 | Very low | 227.8 Ų | 227.8 | 147 Ų | 147 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | -25 | 153.5 | 147 | -72.2 | -173.8 | 172.3 | -175.2 | -2 | 113.3 | ||||
| 1002 | P | 33.2 | Very low | 27.4 | Very low | 119.6 Ų | 119.6 | 150.1 Ų | 150.1 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -130.9 | 170.5 | 131.4 | 37.9 | -21.3 | 0 | 0 | 0 | 114.2 | A1004 | P1002-A1004 PolarHBondContact O-N 3.2Š| ||
| 1003 | R | 26.2 | Very low | 27.5 | Very low | 240.6 Ų | 240.6 | 146.5 Ų | 146.5 | 91% | 0.908 | 75% | 0.752 | S | S | * | * | trans | -139.7 | 119 | 162.5 | -102.6 | 176.6 | 176 | 171.2 | -1.9 | 113.6 | ||||
| 1004 | A | 27.6 | Very low | 27.7 | Very low | 86.8 Ų | 86.8 | 142.9 Ų | 142.9 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | trans | -151.8 | 131.3 | 146.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1002 V1006 | P1002-A1004 PolarHBondContact O-N 3.2Å; A1004-V1006 PolarHBondContact O-N 3.06Å | ||
| 1005 | T | 29.3 | Very low | 27.9 | Very low | 128.8 Ų | 128.8 | 142.9 Ų | 142.9 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | -148.2 | 125.2 | 118 | 17 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1006 | V | 28.7 | Very low | 28.1 | Very low | 113.2 Ų | 113.2 | 142.6 Ų | 142.6 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | trans | 67.3 | 120.8 | 133.1 | 179.3 | 0 | 0 | 0 | 0 | 115.8 | A1004 I1009 | A1004-V1006 PolarHBondContact O-N 3.06Å; V1006-I1009 HydrophobicContact CG1-CG1 3.98Å | ||
| 1007 | C | 28.9 | Very low | 28.5 | Very low | 110.2 Ų | 110.2 | 136.8 Ų | 136.8 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | trans | 86.2 | 122.1 | 149.4 | -100.6 | 0 | 0 | 0 | 0 | 117 | C1056 | C1007-C1056 HydrophobicContact CB-CB 4.2Å; C1007-C1056 WeakPolarHBondContact CB-SG 3.36Å; C1007-C1056 PolarHBondContact O-SG 2.9Å; C1007-C1056 VanDerWaalsContact O-SG 3.33Å; C1007-C1056 WeakPolarHBondContact SG-CB 3.4Å; C1007-C1056 CovalentContact SG-SG 2.07Å; C1007-C1056 PolarHBondContact SG-SG 3.35Å | ||
| 1008 | G | 30.4 | Very low | 28.7 | Very low | 57.8 Ų | 57.8 | 134.2 Ų | 134.2 | 60% | 0.596 | 72% | 0.716 | S | S | * | * | trans | 175.2 | 129.8 | 139.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1009 | I | 32.1 | Very low | 29.1 | Very low | 150 Ų | 150 | 129 Ų | 129 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | -37.4 | 130.4 | 176.3 | -56.5 | 162.6 | 0 | 0 | 0 | 111.2 | V1006 I1028 V1029 | V1006-I1009 HydrophobicContact CG1-CG1 3.98Å; I1009-I1028 VanDerWaalsContact O-CA 3.22Å; I1009-I1028 WeakPolarHBondContact O-CA 3.4Å; I1009-V1029 HydrophobicContact CB-CB 4.36Å; I1009-V1029 HydrophobicContact CD1-CB 4.34Å; I1009-V1029 PolarHBondContact N-O 3.15Å; I1009-V1029 PolarHBondContact O-N 2.9Å; I1009-V1029 VanDerWaalsContact O-N 3.12Å | ||
| 1010 | G | 30.5 | Very low | 29.3 | Very low | 58.6 Ų | 58.6 | 123.4 Ų | 123.4 | 60% | 0.604 | 70% | 0.696 | S | S | * | * | trans | -148.6 | 137.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1012 | G1010-L1012 PolarHBondContact O-N 3.13Š| ||
| 1011 | R | 30.2 | Very low | 29.5 | Very low | 203.2 Ų | 203.2 | 125 Ų | 125 | 77% | 0.767 | 69% | 0.693 | S | S | * | * | trans | -67.7 | 123.3 | 170.3 | -89.6 | 179.3 | 172.6 | 177.9 | -2.3 | 113.7 | V1013 E1027 | R1011-V1013 HydrophobicContact CG-CG2 4.31Å; R1011-E1027 PolarHBondContact N-O 3.49Å | ||
| 1012 | L | 30.1 | Very low | 29.6 | Very low | 133.4 Ų | 133.4 | 118.7 Ų | 118.7 | 70% | 0.698 | 68% | 0.683 | S | S | * | * | trans | -115.7 | 134.6 | 152.7 | -131.4 | 99.8 | 0 | 0 | 0 | 109.5 | G1010 V1014 V1024 Y1066 D1069 V1070 L1073 | G1010-L1012 PolarHBondContact O-N 3.13Å; L1012-V1014 HydrophobicContact CD1-CG2 3.84Å; L1012-V1014 HydrophobicContact CD2-CG2 4.28Å; L1012-V1014 HydrophobicContact CG-CG2 4.17Å; L1012-V1024 HydrophobicContact CD1-CG1 3.23Å; L1012-Y1066 HydrophobicContact CB-CD2 4.1Å; L1012-Y1066 HydrophobicContact CB-CE2 3.93Å; L1012-Y1066 HydrophobicContact CD1-CD2 4.38Å; L1012-Y1066 HydrophobicContact CD1-CE2 3.55Å; L1012-Y1066 HydrophobicContact CD2-CD2 4.43Å; L1012-Y1066 HydrophobicContact CD2-CE2 4.34Å; L1012-Y1066 HydrophobicContact CG-CE2 4.13Å; L1012-D1069 HydrophobicContact CD2-CB 3.85Å; L1012-V1070 HydrophobicContact CD1-CG2 4.3Å; L1012-L1073 HydrophobicContact CD2-CD1 4.01Å | ||
| 1013 | V | 30.2 | Very low | 29.4 | Very low | 109 Ų | 109 | 118 Ų | 118 | 66% | 0.661 | 68% | 0.676 | S | S | * | * | trans | -99.7 | 118.8 | 175.8 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | R1011 P1015 | R1011-V1013 HydrophobicContact CG-CG2 4.31Å; V1013-P1015 WeakPolarHBondContact O-CD 3.28Å | ||
| 1014 | V | 31.1 | Very low | 29.6 | Very low | 93 Ų | 93 | 111.2 Ų | 111.2 | 56% | 0.564 | 66% | 0.662 | S | S | * | * | trans | -105.7 | 122.3 | 165.3 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | L1012 M1016 L1073 I1077 | L1012-V1014 HydrophobicContact CD1-CG2 3.84Å; L1012-V1014 HydrophobicContact CD2-CG2 4.28Å; L1012-V1014 HydrophobicContact CG-CG2 4.17Å; V1014-M1016 HydrophobicContact CB-CE 4.22Å; V1014-M1016 HydrophobicContact CG1-CE 3.75Å; V1014-M1016 HydrophobicContact CG1-SD 4.16Å; V1014-M1016 PolarHBondContact O-N 2.89Å; V1014-L1073 HydrophobicContact CG2-CD1 3.9Å; V1014-I1077 HydrophobicContact CG1-CD1 4.11Å | ||
| 1015 | P | 32.1 | Very low | 29.5 | Very low | 86.6 Ų | 86.6 | 111.4 Ų | 111.4 | 56% | 0.562 | 66% | 0.657 | S | S | * | * | trans | -86.7 | 129.9 | 164.9 | 29.4 | -26.7 | 0 | 0 | 0 | 110.2 | V1013 C1022 N1136 | V1013-P1015 WeakPolarHBondContact O-CD 3.28Å; P1015-C1022 HydrophobicContact CG-CB 4.41Å; P1015-C1022 VanDerWaalsContact CG-SG 3.56Å; P1015-N1136 PolarHBondContact O-ND2 2.96Å | ||
| 1016 | M | 29.2 | Very low | 29.4 | Very low | 147.6 Ų | 147.6 | 110.3 Ų | 110.3 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | trans | -67.5 | 123.3 | 159.6 | -72.6 | -131.9 | 168.8 | 0 | 0 | 112 | V1014 I1077 | V1014-M1016 HydrophobicContact CB-CE 4.22Å; V1014-M1016 HydrophobicContact CG1-CE 3.75Å; V1014-M1016 HydrophobicContact CG1-SD 4.16Å; V1014-M1016 PolarHBondContact O-N 2.89Å; M1016-I1077 HydrophobicContact CE-CD1 3.65Å; M1016-I1077 HydrophobicContact CE-CG1 4.18Å; M1016-I1077 HydrophobicContact SD-CD1 3.76Å; M1016-I1077 HydrophobicContact SD-CG1 4.17Å | ||
| 1017 | C | 30.5 | Very low | 29.3 | Very low | 98.6 Ų | 98.6 | 112 Ų | 112 | 67% | 0.666 | 65% | 0.65 | S | S | * | * | trans | -106.7 | 123.1 | 173 | -67.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1018 | D | 27.7 | Very low | 29.2 | Very low | 112.2 Ų | 112.2 | 112.4 Ų | 112.4 | 60% | 0.6 | 64% | 0.643 | S | S | * | * | trans | -83.6 | 142.1 | 172.1 | -92.1 | -44.2 | 0 | 0 | 0 | 112.2 | L1020 H1021 C1022 N1199 | D1018-L1020 HydrophobicContact CB-CB 4.46Å; D1018-L1020 PolarHBondContact O-N 3.22Å; D1018-L1020 PolarHBondContact OD1-N 3.39Å; D1018-H1021 PolarHBondContact O-N 2.87Å; D1018-H1021 VanDerWaalsContact O-N 3.11Å; D1018-C1022 PolarHBondContact O-SG 3.48Å; D1018-N1199 PolarHBondContact OD2-ND2 3.46Å | ||
| 1019 | P | 31.6 | Very low | 29 | Very low | 93.2 Ų | 93.2 | 114.9 Ų | 114.9 | 61% | 0.605 | 65% | 0.647 | S | S | * | * | trans | -88.5 | 71.1 | 177.4 | 21.6 | -16.9 | 0 | 0 | 0 | 113.3 | H1021 V1103 P1105 V1134 | P1019-H1021 VanDerWaalsContact C-N 3.27Å; P1019-H1021 PolarHBondContact O-N 2.83Å; P1019-V1103 HydrophobicContact CB-CG1 4.35Å; P1019-V1103 HydrophobicContact CG-CB 4.41Å; P1019-V1103 HydrophobicContact CG-CG1 4.5Å; P1019-P1105 HydrophobicContact CG-CG 4.2Å; P1019-V1134 HydrophobicContact CB-CG1 4.38Å | ||
| 1020 | L | 27.4 | Very low | 28.7 | Very low | 130 Ų | 130 | 113.1 Ų | 113.1 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | trans | -124.3 | 75.5 | 169.3 | -93.8 | 153.6 | 0 | 0 | 0 | 111.6 | D1018 Y1101 | D1018-L1020 HydrophobicContact CB-CB 4.46Å; D1018-L1020 PolarHBondContact O-N 3.22Å; D1018-L1020 PolarHBondContact OD1-N 3.39Å; L1020-Y1101 HydrophobicContact CD1-CD1 4.14Å; L1020-Y1101 HydrophobicContact CD1-CE1 3.57Å; L1020-Y1101 HydrophobicContact CD1-CE2 4.22Å | ||
| 1021 | H | 29 | Very low | 28.6 | Very low | 124.8 Ų | 124.8 | 114.4 Ų | 114.4 | 58% | 0.578 | 65% | 0.648 | S | S | * | * | trans | -154.5 | 68.8 | 174.4 | -74 | 36.3 | 0 | 0 | 0 | 115.3 | D1018 P1019 V1023 R1237 | D1018-H1021 PolarHBondContact O-N 2.87Å; D1018-H1021 VanDerWaalsContact O-N 3.11Å; P1019-H1021 VanDerWaalsContact C-N 3.27Å; P1019-H1021 PolarHBondContact O-N 2.83Å; H1021-V1023 VanDerWaalsContact C-N 3.3Å; H1021-V1023 PolarHBondContact O-N 3.07Å; H1021-R1237 PolarHBondContact CE1-NH1 3Å; H1021-R1237 VanDerWaalsContact CE1-NH1 3.26Å; H1021-R1237 PolarHBondContact NE2-NH1 3.45Å | ||
| 1022 | C | 26.8 | Very low | 28.3 | Very low | 96.2 Ų | 96.2 | 113.8 Ų | 113.8 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | trans | -108.4 | 68.6 | 158.1 | -87.3 | 0 | 0 | 0 | 0 | 111 | P1015 D1018 N1136 N1138 | P1015-C1022 HydrophobicContact CG-CB 4.41Å; P1015-C1022 VanDerWaalsContact CG-SG 3.56Å; D1018-C1022 PolarHBondContact O-SG 3.48Å; C1022-N1136 WeakPolarHBondContact CB-OD1 3.34Å; C1022-N1136 PolarHBondContact SG-ND2 3.33Å; C1022-N1136 PolarHBondContact SG-OD1 3.06Å; C1022-N1138 PolarHBondContact O-ND2 3.02Å | ||
| 1023 | V | 28.7 | Very low | 28.2 | Very low | 103.2 Ų | 103.2 | 112.6 Ų | 112.6 | 63% | 0.625 | 65% | 0.654 | S | S | * | * | trans | -97.4 | 94.1 | 162.6 | -178.7 | 0 | 0 | 0 | 0 | 107.4 | H1021 C1025 | H1021-V1023 VanDerWaalsContact C-N 3.3Å; H1021-V1023 PolarHBondContact O-N 3.07Å; V1023-C1025 VanDerWaalsContact CG1-SG 3.52Å; V1023-C1025 PolarHBondContact O-N 3.2Å | ||
| 1024 | V | 29 | Very low | 28 | Very low | 99.6 Ų | 99.6 | 115.4 Ų | 115.4 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | trans | -79.4 | 87.4 | 169.9 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | L1012 V1026 Y1066 | L1012-V1024 HydrophobicContact CD1-CG1 3.23Å; V1024-V1026 HydrophobicContact CG1-CG2 4.33Å; V1024-V1026 PolarHBondContact O-N 3.23Å; V1024-Y1066 HydrophobicContact CG1-CE2 4.49Å; V1024-Y1066 WeakPolarHBondContact CG1-OH 3.2Å | ||
| 1025 | C | 26.7 | Very low | 27.9 | Very low | 91 Ų | 91 | 117.7 Ų | 117.7 | 62% | 0.615 | 67% | 0.669 | S | S | * | * | trans | -85 | 104.7 | 174.1 | -74.8 | 0 | 0 | 0 | 0 | 110.1 | V1023 E1027 | V1023-C1025 VanDerWaalsContact CG1-SG 3.52Å; V1023-C1025 PolarHBondContact O-N 3.2Å; C1025-E1027 PolarHBondContact O-N 2.78Å | ||
| 1026 | V | 26.9 | Very low | 27.7 | Very low | 104.8 Ų | 104.8 | 121.7 Ų | 121.7 | 64% | 0.635 | 68% | 0.684 | S | S | * | * | trans | -97.9 | 95.9 | 168.8 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | V1024 I1028 Y1066 | V1024-V1026 HydrophobicContact CG1-CG2 4.33Å; V1024-V1026 PolarHBondContact O-N 3.23Å; V1026-I1028 HydrophobicContact CG1-CD1 4.23Å; V1026-I1028 HydrophobicContact CG1-CG1 4.04Å; V1026-I1028 PolarHBondContact O-N 2.9Å; V1026-Y1066 HydrophobicContact CG1-CE2 4.26Å; V1026-Y1066 HydrophobicContact CG2-CE1 4.12Å; V1026-Y1066 HydrophobicContact CG2-CE2 3.7Å; V1026-Y1066 WeakPolarHBondContact CG2-OH 3.24Å | ||
| 1027 | E | 26.7 | Very low | 27.6 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | trans | -100.7 | 124 | 165 | -121.3 | 179.4 | 177.2 | 0 | 0 | 109.9 | R1011 C1025 V1029 | R1011-E1027 PolarHBondContact N-O 3.49Å; C1025-E1027 PolarHBondContact O-N 2.78Å; E1027-V1029 VanDerWaalsContact C-N 3.26Å; E1027-V1029 HydrophobicContact CB-CG2 4.1Å; E1027-V1029 HydrophobicContact CG-CG2 3.84Å; E1027-V1029 PolarHBondContact O-N 3.2Å | ||
| 1028 | I | 26.3 | Very low | 27.5 | Very low | 119.8 Ų | 119.8 | 121.5 Ų | 121.5 | 61% | 0.614 | 70% | 0.695 | S | S | * | * | trans | -82.9 | 91.9 | 170.2 | -54.2 | 177.5 | 0 | 0 | 0 | 109.1 | I1009 V1026 T1030 M1063 | I1009-I1028 VanDerWaalsContact O-CA 3.22Å; I1009-I1028 WeakPolarHBondContact O-CA 3.4Å; V1026-I1028 HydrophobicContact CG1-CD1 4.23Å; V1026-I1028 HydrophobicContact CG1-CG1 4.04Å; V1026-I1028 PolarHBondContact O-N 2.9Å; I1028-T1030 HydrophobicContact CG2-CG2 4.23Å; I1028-T1030 PolarHBondContact O-N 3.33Å; I1028-M1063 HydrophobicContact CD1-SD 3.45Å; I1028-M1063 WeakPolarHBondContact CD1-SD 3.03Å | ||
| 1029 | V | 26.6 | Very low | 27.4 | Very low | 109.4 Ų | 109.4 | 121.3 Ų | 121.3 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | trans | -97.3 | 102.1 | 164 | -177.9 | 0 | 0 | 0 | 0 | 109 | I1009 E1027 A1031 | I1009-V1029 HydrophobicContact CB-CB 4.36Å; I1009-V1029 HydrophobicContact CD1-CB 4.34Å; I1009-V1029 PolarHBondContact N-O 3.15Å; I1009-V1029 PolarHBondContact O-N 2.9Å; I1009-V1029 VanDerWaalsContact O-N 3.12Å; E1027-V1029 VanDerWaalsContact C-N 3.26Å; E1027-V1029 HydrophobicContact CB-CG2 4.1Å; E1027-V1029 HydrophobicContact CG-CG2 3.84Å; E1027-V1029 PolarHBondContact O-N 3.2Å; V1029-A1031 PolarHBondContact O-N 2.85Å | ||
| 1030 | T | 25.9 | Very low | 27.2 | Very low | 113.6 Ų | 113.6 | 123.3 Ų | 123.3 | 70% | 0.697 | 71% | 0.709 | S | S | * | * | trans | -98.8 | 108.9 | 164.8 | 47.6 | 0 | 0 | 0 | 0 | 109.9 | I1028 K1032 | I1028-T1030 HydrophobicContact CG2-CG2 4.23Å; I1028-T1030 PolarHBondContact O-N 3.33Å; T1030-K1032 PolarHBondContact O-N 3.45Å; T1030-K1032 VanDerWaalsContact O-N 3.11Å | ||
| 1031 | A | 27.2 | Very low | 27.3 | Very low | 84.2 Ų | 84.2 | 127.5 Ų | 127.5 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | trans | -89.5 | 130.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1029 | V1029-A1031 PolarHBondContact O-N 2.85Š| ||
| 1032 | K | 24.8 | Very low | 27.2 | Very low | 190.6 Ų | 190.6 | 127 Ų | 127 | 83% | 0.829 | 73% | 0.726 | S | S | * | * | trans | -91.7 | 135.3 | 170.3 | -74.1 | -177.6 | 173.1 | -173.2 | 0 | 111.6 | T1030 E1034 | T1030-K1032 PolarHBondContact O-N 3.45Å; T1030-K1032 VanDerWaalsContact O-N 3.11Å; K1032-E1034 IonicContact NZ-OE1 3.18Å; K1032-E1034 PolarHBondContact O-N 2.59Å | ||
| 1033 | S | 28.2 | Very low | 27.3 | Very low | 109.6 Ų | 109.6 | 127.7 Ų | 127.7 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | trans | -151.5 | 118.7 | 138.2 | 58.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1034 | E | 26.2 | Very low | 27.2 | Very low | 166.4 Ų | 166.4 | 132.9 Ų | 132.9 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | trans | -41.6 | 136.8 | 144.9 | -69.5 | 172.2 | 170.9 | 0 | 0 | 111.4 | K1032 | K1032-E1034 IonicContact NZ-OE1 3.18Å; K1032-E1034 PolarHBondContact O-N 2.59Å | ||
| 1035 | D | 28.1 | Very low | 27 | Very low | 142.8 Ų | 142.8 | 133.2 Ų | 133.2 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | -173.3 | 139.6 | 57.4 | -87.1 | -34.5 | 0 | 0 | 0 | 111.7 | |||||
| 1036 | L | 28.2 | Very low | 27 | Very low | 169.2 Ų | 169.2 | 139.9 Ų | 139.9 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | trans | 176.3 | 107.4 | 143 | -97 | 154.1 | 0 | 0 | 0 | 113.4 | ||||
| 1037 | I | 26.2 | Very low | 26.8 | Very low | 168.8 Ų | 168.8 | 138.5 Ų | 138.5 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -85.8 | 127.4 | 169.1 | -61.8 | 166.5 | 0 | 0 | 0 | 111.2 | ||||
| 1038 | G | 28.8 | Very low | 26.7 | Very low | 73.8 Ų | 73.8 | 135.1 Ų | 135.1 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | -178.3 | 102.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1039 | S | 26.3 | Very low | 26.7 | Very low | 108.6 Ų | 108.6 | 136.8 Ų | 136.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -89.6 | 141.8 | 172.9 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1040 | D | 27.7 | Very low | 26.5 | Very low | 135.8 Ų | 135.8 | 136.2 Ų | 136.2 | 73% | 0.726 | 79% | 0.79 | S | S | * | * | trans | 128.5 | 125.5 | 132.8 | -97.1 | -4.3 | 0 | 0 | 0 | 118.4 | ||||
| 1041 | R | 29.4 | Very low | 26.5 | Very low | 218.2 Ų | 218.2 | 136 Ų | 136 | 82% | 0.823 | 79% | 0.789 | S | S | * | * | trans | 101.2 | 105.3 | 148.2 | -69.6 | 174.5 | -170.2 | -158.9 | 0.4 | 119.6 | ||||
| 1042 | S | 25.7 | Very low | 26.4 | Very low | 112.6 Ų | 112.6 | 134.8 Ų | 134.8 | 79% | 0.787 | 78% | 0.776 | S | S | * | * | 68.2 | 151.1 | 128 | 75.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1043 | P | 30.4 | Very low | 26.5 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | -120.7 | 140.5 | -127.8 | 37 | -22.3 | 0 | 0 | 0 | 114.2 | |||||
| 1044 | F | 26.2 | Very low | 26.5 | Very low | 212.8 Ų | 212.8 | 129.2 Ų | 129.2 | 93% | 0.933 | 76% | 0.758 | S | S | * | * | trans | -143.4 | 125.9 | 154.9 | -94.8 | -78.6 | 0 | 0 | 0 | 110.2 | ||||
| 1045 | S | 24.4 | Very low | 26.6 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | trans | -95.9 | 131.9 | 179.7 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | G1047 | S1045-G1047 PolarHBondContact O-N 3.2Š| ||
| 1046 | Y | 26.6 | Very low | 26.7 | Very low | 231.6 Ų | 231.6 | 123.2 Ų | 123.2 | 91% | 0.908 | 74% | 0.736 | S | S | * | * | trans | -104.7 | 112.8 | 160.1 | -93.1 | -95.1 | 0 | 0 | 0 | 111.6 | G1048 | Y1046-G1048 VanDerWaalsContact C-N 3.32Å; Y1046-G1048 PolarHBondContact O-N 3.12Å | ||
| 1047 | G | 23.7 | Very low | 26.9 | Very low | 75.4 Ų | 75.4 | 121.1 Ų | 121.1 | 78% | 0.777 | 73% | 0.725 | S | S | * | * | trans | -69.5 | 105.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112 | S1045 I1049 | S1045-G1047 PolarHBondContact O-N 3.2Å; G1047-I1049 PolarHBondContact O-N 3.24Å; G1047-I1049 VanDerWaalsContact O-N 3.14Å | ||
| 1048 | G | 24.5 | Very low | 27.4 | Very low | 75.2 Ų | 75.2 | 119 Ų | 119 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | -81.3 | 107 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y1046 A1050 | Y1046-G1048 VanDerWaalsContact C-N 3.32Å; Y1046-G1048 PolarHBondContact O-N 3.12Å; G1048-A1050 PolarHBondContact O-N 3.21Å; G1048-A1050 VanDerWaalsContact O-N 3.11Å | ||
| 1049 | I | 24.8 | Very low | 28.2 | Very low | 155.2 Ų | 155.2 | 116.1 Ų | 116.1 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | trans | -73.3 | 105.2 | 168.9 | -62.2 | 172.1 | 0 | 0 | 0 | 107.4 | G1047 V1051 | G1047-I1049 PolarHBondContact O-N 3.24Å; G1047-I1049 VanDerWaalsContact O-N 3.14Å; I1049-V1051 VanDerWaalsContact C-N 3.33Å; I1049-V1051 HydrophobicContact CG2-CG2 3.98Å; I1049-V1051 PolarHBondContact O-N 3.18Å; I1049-V1051 VanDerWaalsContact O-N 3.13Å | ||
| 1050 | A | 23.4 | Very low | 29.4 | Very low | 97 Ų | 97 | 113 Ų | 113 | 80% | 0.802 | 66% | 0.664 | S | S | * | * | trans | -76.5 | 98.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | G1048 S1052 | G1048-A1050 PolarHBondContact O-N 3.21Å; G1048-A1050 VanDerWaalsContact O-N 3.11Å; A1050-S1052 PolarHBondContact O-N 3.06Å | ||
| 1051 | V | 25.2 | Very low | 31 | Very low | 111 Ų | 111 | 107.7 Ų | 107.7 | 67% | 0.673 | 64% | 0.638 | S | S | * | * | trans | -67.9 | 115.7 | 169.2 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | I1049 D1055 | I1049-V1051 VanDerWaalsContact C-N 3.33Å; I1049-V1051 HydrophobicContact CG2-CG2 3.98Å; I1049-V1051 PolarHBondContact O-N 3.18Å; I1049-V1051 VanDerWaalsContact O-N 3.13Å; V1051-D1055 HydrophobicContact CG1-CB 3.6Å; V1051-D1055 WeakPolarHBondContact CG1-OD2 3.33Å | ||
| 1052 | S | 24.8 | Very low | 32.5 | Very low | 58.6 Ų | 58.6 | 97.7 Ų | 97.7 | 41% | 0.41 | 60% | 0.601 | S | S | . | * | trans | -63.1 | 137 | 173.1 | 50.3 | 0 | 0 | 0 | 0 | 110 | A1050 S1054 D1055 | A1050-S1052 PolarHBondContact O-N 3.06Å; S1052-S1054 VanDerWaalsContact CB-OG 3.27Å; S1052-S1054 WeakPolarHBondContact CB-OG 3.27Å; S1052-S1054 PolarHBondContact O-N 3.16Å; S1052-S1054 PolarHBondContact O-OG 3.15Å; S1052-S1054 WeakPolarHBondContact OG-CB 3.31Å; S1052-S1054 PolarHBondContact OG-OG 3.21Å; S1052-D1055 PolarHBondContact N-OD2 3.44Å; S1052-D1055 PolarHBondContact O-N 2.88Å; S1052-D1055 PolarHBondContact OG-OD2 2.87Å | ||
| 1053 | P | 27.3 | Very low | 34.3 | Very low | 114.2 Ų | 114.2 | 94.8 Ų | 94.8 | 74% | 0.742 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 11.4 | 177.1 | 9.5 | -7.9 | 0 | 0 | 0 | 113.8 | D1055 K1131 | P1053-D1055 PolarHBondContact O-N 3.09Å; P1053-K1131 PolarHBondContact O-NZ 2.91Å |
| 1054 | S | 29.2 | Very low | 36.4 | Very low | 68.2 Ų | 68.2 | 91.6 Ų | 91.6 | 48% | 0.477 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | -19 | -179.7 | 34.4 | 0 | 0 | 0 | 0 | 114.3 | S1052 C1056 L1057 Q1058 | S1052-S1054 VanDerWaalsContact CB-OG 3.27Å; S1052-S1054 WeakPolarHBondContact CB-OG 3.27Å; S1052-S1054 PolarHBondContact O-N 3.16Å; S1052-S1054 PolarHBondContact O-OG 3.15Å; S1052-S1054 WeakPolarHBondContact OG-CB 3.31Å; S1052-S1054 PolarHBondContact OG-OG 3.21Å; S1054-C1056 VanDerWaalsContact C-N 3.28Å; S1054-C1056 PolarHBondContact O-N 2.96Å; S1054-L1057 WeakPolarHBondContact O-CB 3.35Å; S1054-Q1058 PolarHBondContact O-N 2.94Å |
| 1055 | D | 28 | Very low | 39 | Very low | 105.8 Ų | 105.8 | 82.2 Ų | 82.2 | 57% | 0.566 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -99 | -5.1 | -170.1 | -66.4 | -20.5 | 0 | 0 | 0 | 114.1 | V1051 S1052 P1053 L1057 Q1058 | V1051-D1055 HydrophobicContact CG1-CB 3.6Å; V1051-D1055 WeakPolarHBondContact CG1-OD2 3.33Å; S1052-D1055 PolarHBondContact N-OD2 3.44Å; S1052-D1055 PolarHBondContact O-N 2.88Å; S1052-D1055 PolarHBondContact OG-OD2 2.87Å; P1053-D1055 PolarHBondContact O-N 3.09Å; D1055-L1057 VanDerWaalsContact C-N 3.3Å; D1055-Q1058 PolarHBondContact O-N 3.05Å; D1055-Q1058 PolarHBondContact O-NE2 2.94Å; D1055-Q1058 VanDerWaalsContact O-NE2 3.15Å |
| 1056 | C | 29.7 | Very low | 41.6 | Very low | 77 Ų | 77 | 78.9 Ų | 78.9 | 52% | 0.52 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -98 | 7.8 | 175.2 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | R172 C1007 S1054 Q1058 S1059 | R172-C1056 PolarHBondContact NH1-SG 3.14Å; C1007-C1056 HydrophobicContact CB-CB 4.2Å; C1007-C1056 WeakPolarHBondContact CB-SG 3.36Å; C1007-C1056 PolarHBondContact O-SG 2.9Å; C1007-C1056 VanDerWaalsContact O-SG 3.33Å; C1007-C1056 WeakPolarHBondContact SG-CB 3.4Å; C1007-C1056 CovalentContact SG-SG 2.07Å; C1007-C1056 PolarHBondContact SG-SG 3.35Å; S1054-C1056 VanDerWaalsContact C-N 3.28Å; S1054-C1056 PolarHBondContact O-N 2.96Å; C1056-Q1058 VanDerWaalsContact C-N 3.3Å; C1056-Q1058 PolarHBondContact O-N 3.29Å; C1056-Q1058 VanDerWaalsContact O-N 3.1Å; C1056-S1059 PolarHBondContact O-OG 3.37Å |
| 1057 | L | 31.5 | Very low | 44.1 | Very low | 125 Ų | 125 | 73 Ų | 73 | 65% | 0.654 | 47% | 0.471 | S | S | * | . | trans | -74.8 | 29.8 | 176.2 | -81.1 | 152 | 0 | 0 | 0 | 113.6 | S1054 D1055 S1059 | S1054-L1057 WeakPolarHBondContact O-CB 3.35Å; D1055-L1057 VanDerWaalsContact C-N 3.3Å; L1057-S1059 PolarHBondContact O-N 2.78Å | ||
| 1058 | Q | 36.9 | Very low | 46.9 | Very low | 126 Ų | 126 | 73.3 Ų | 73.3 | 59% | 0.589 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -100.4 | 93.9 | 174.3 | -67.9 | -170.7 | 1.5 | 0 | 0 | 111.9 | S1054 D1055 C1056 G1060 | S1054-Q1058 PolarHBondContact O-N 2.94Å; D1055-Q1058 PolarHBondContact O-N 3.05Å; D1055-Q1058 PolarHBondContact O-NE2 2.94Å; D1055-Q1058 VanDerWaalsContact O-NE2 3.15Å; C1056-Q1058 VanDerWaalsContact C-N 3.3Å; C1056-Q1058 PolarHBondContact O-N 3.29Å; C1056-Q1058 VanDerWaalsContact O-N 3.1Å; Q1058-G1060 VanDerWaalsContact C-N 3.28Å; Q1058-G1060 PolarHBondContact O-N 3.03Å; Q1058-G1060 VanDerWaalsContact O-N 3.14Å |
| 1059 | S | 47.4 | Very low | 49.9 | Very low | 12.6 Ų | 12.6 | 69.8 Ų | 69.8 | 9% | 0.088 | 42% | 0.415 | C | S | . | . | trans | 28.6 | 81.4 | 169.6 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | R792 D912 C1056 L1057 S1061 C1062 M1063 | R792-S1059 PolarHBondContact NH2-OG 2.66Å; R792-S1059 VanDerWaalsContact NH2-OG 3.14Å; D912-S1059 VanDerWaalsContact OD1-CA 3.26Å; D912-S1059 WeakPolarHBondContact OD1-CA 3.32Å; D912-S1059 WeakPolarHBondContact OD1-CB 3.35Å; D912-S1059 PolarHBondContact OD1-N 2.88Å; C1056-S1059 PolarHBondContact O-OG 3.37Å; L1057-S1059 PolarHBondContact O-N 2.78Å; S1059-S1061 VanDerWaalsContact C-N 3.29Å; S1059-S1061 PolarHBondContact O-N 3.2Å; S1059-S1061 VanDerWaalsContact O-N 3.11Å; S1059-S1061 PolarHBondContact O-OG 2.98Å; S1059-C1062 PolarHBondContact O-N 3.27Å; S1059-C1062 VanDerWaalsContact OG-CB 3.3Å; S1059-C1062 WeakPolarHBondContact OG-CB 3.29Å; S1059-C1062 PolarHBondContact OG-N 3.35Å; S1059-C1062 PolarHBondContact OG-SG 3.07Å; S1059-M1063 WeakPolarHBondContact O-CG 3.5Å; S1059-M1063 PolarHBondContact O-N 3.24Å | ||
| 1060 | G | 51.1 | Low | 52.7 | Low | 42.4 Ų | 42.4 | 63.7 Ų | 63.7 | 44% | 0.437 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.7 | -24.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q1058 C1062 M1063 A1064 | Q1058-G1060 VanDerWaalsContact C-N 3.28Å; Q1058-G1060 PolarHBondContact O-N 3.03Å; Q1058-G1060 VanDerWaalsContact O-N 3.14Å; G1060-C1062 PolarHBondContact O-N 3.13Å; G1060-M1063 WeakPolarHBondContact O-CB 3.34Å; G1060-M1063 PolarHBondContact O-N 3.03Å; G1060-A1064 WeakPolarHBondContact O-CB 3.39Å; G1060-A1064 PolarHBondContact O-N 2.96Å |
| 1061 | S | 59.9 | Low | 55.5 | Low | 25.8 Ų | 25.8 | 60 Ų | 60 | 18% | 0.18 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.5 | -36.4 | -178.7 | -11.4 | 0 | 0 | 0 | 0 | 114.4 | I907 I911 S1059 M1063 I1065 | I907-S1061 WeakPolarHBondContact CD1-OG 3.45Å; I911-S1061 VanDerWaalsContact CG2-OG 3.22Å; I911-S1061 WeakPolarHBondContact CG2-OG 3.27Å; S1059-S1061 VanDerWaalsContact C-N 3.29Å; S1059-S1061 PolarHBondContact O-N 3.2Å; S1059-S1061 VanDerWaalsContact O-N 3.11Å; S1059-S1061 PolarHBondContact O-OG 2.98Å; S1061-M1063 VanDerWaalsContact C-N 3.31Å; S1061-I1065 WeakPolarHBondContact O-CD1 3.34Å; S1061-I1065 VanDerWaalsContact O-CG1 3.23Å; S1061-I1065 WeakPolarHBondContact O-CG1 3.36Å; S1061-I1065 PolarHBondContact O-N 3.12Å; S1061-I1065 VanDerWaalsContact O-N 3.12Å |
| 1062 | C | 60.7 | Low | 58.5 | Low | 6.8 Ų | 6.8 | 54.7 Ų | 54.7 | 5% | 0.046 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 173.2 | -83.1 | 0 | 0 | 0 | 0 | 111.3 | I907 S1059 G1060 I1065 Y1066 | I907-C1062 HydrophobicContact CD1-CB 4.31Å; I907-C1062 WeakPolarHBondContact CD1-SG 3.25Å; I907-C1062 VanDerWaalsContact CG1-SG 3.58Å; S1059-C1062 PolarHBondContact O-N 3.27Å; S1059-C1062 VanDerWaalsContact OG-CB 3.3Å; S1059-C1062 WeakPolarHBondContact OG-CB 3.29Å; S1059-C1062 PolarHBondContact OG-N 3.35Å; S1059-C1062 PolarHBondContact OG-SG 3.07Å; G1060-C1062 PolarHBondContact O-N 3.13Å; C1062-I1065 PolarHBondContact O-N 3.28Å; C1062-Y1066 WeakPolarHBondContact O-CB 3.41Å; C1062-Y1066 PolarHBondContact O-N 3.01Å; C1062-Y1066 VanDerWaalsContact O-N 3.08Å |
| 1063 | M | 65.4 | Low | 61.5 | Low | 53.2 Ų | 53.2 | 52 Ų | 52 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.2 | -40.5 | -178.5 | -69.2 | -56.6 | -58.1 | 0 | 0 | 111.6 | R792 I1028 S1059 G1060 S1061 I1065 Y1066 E1067 | R792-M1063 PolarHBondContact NH1-SD 3.04Å; I1028-M1063 HydrophobicContact CD1-SD 3.45Å; I1028-M1063 WeakPolarHBondContact CD1-SD 3.03Å; S1059-M1063 WeakPolarHBondContact O-CG 3.5Å; S1059-M1063 PolarHBondContact O-N 3.24Å; G1060-M1063 WeakPolarHBondContact O-CB 3.34Å; G1060-M1063 PolarHBondContact O-N 3.03Å; S1061-M1063 VanDerWaalsContact C-N 3.31Å; M1063-I1065 VanDerWaalsContact C-N 3.34Å; M1063-I1065 PolarHBondContact O-N 2.95Å; M1063-Y1066 HydrophobicContact CE-CD1 3.94Å; M1063-Y1066 HydrophobicContact CE-CE1 4.4Å; M1063-Y1066 CarbonylContact O-C 3.42Å; M1063-Y1066 WeakPolarHBondContact O-CB 3.3Å; M1063-Y1066 PolarHBondContact O-N 3.12Å; M1063-Y1066 VanDerWaalsContact O-N 3.09Å; M1063-E1067 WeakPolarHBondContact O-CB 3.4Å; M1063-E1067 VanDerWaalsContact O-CG 3.31Å; M1063-E1067 WeakPolarHBondContact O-CG 3.32Å; M1063-E1067 PolarHBondContact O-N 3.08Å |
| 1064 | A | 73.1 | Confident | 64.3 | Low | 44.8 Ų | 44.8 | 47 Ų | 47 | 37% | 0.37 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1060 Y1066 E1067 E1068 | G1060-A1064 WeakPolarHBondContact O-CB 3.39Å; G1060-A1064 PolarHBondContact O-N 2.96Å; A1064-Y1066 VanDerWaalsContact C-N 3.31Å; A1064-Y1066 PolarHBondContact O-N 3.09Å; A1064-E1067 PolarHBondContact O-N 3.05Å; A1064-E1068 WeakPolarHBondContact O-CB 3.15Å; A1064-E1068 VanDerWaalsContact O-CG 3.29Å; A1064-E1068 WeakPolarHBondContact O-CG 3.3Å; A1064-E1068 PolarHBondContact O-N 3.14Å; A1064-E1068 VanDerWaalsContact O-N 3.12Å |
| 1065 | I | 80.2 | Confident | 67.1 | Low | 14.4 Ų | 14.4 | 43.7 Ų | 43.7 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.3 | -69.2 | 171.1 | 0 | 0 | 0 | 110.3 | R823 F828 I855 Y857 V905 S1061 C1062 M1063 E1067 E1068 D1069 | R823-I1065 PolarHBondContact NH2-O 3.19Å; R823-I1065 VanDerWaalsContact NH2-O 3.08Å; F828-I1065 HydrophobicContact CZ-CD1 4.19Å; I855-I1065 HydrophobicContact CD1-CD1 4.25Å; I855-I1065 HydrophobicContact CG2-CD1 3.69Å; Y857-I1065 HydrophobicContact CD2-CG2 3.93Å; Y857-I1065 HydrophobicContact CE2-CG2 3.88Å; V905-I1065 HydrophobicContact CG1-CD1 4.22Å; V905-I1065 HydrophobicContact CG2-CG2 4.14Å; S1061-I1065 WeakPolarHBondContact O-CD1 3.34Å; S1061-I1065 VanDerWaalsContact O-CG1 3.23Å; S1061-I1065 WeakPolarHBondContact O-CG1 3.36Å; S1061-I1065 PolarHBondContact O-N 3.12Å; S1061-I1065 VanDerWaalsContact O-N 3.12Å; C1062-I1065 PolarHBondContact O-N 3.28Å; M1063-I1065 VanDerWaalsContact C-N 3.34Å; M1063-I1065 PolarHBondContact O-N 2.95Å; I1065-E1067 VanDerWaalsContact C-N 3.34Å; I1065-E1067 PolarHBondContact O-N 3.08Å; I1065-E1068 WeakPolarHBondContact O-CB 3.36Å; I1065-E1068 PolarHBondContact O-N 3.08Å; I1065-D1069 WeakPolarHBondContact CG2-OD2 3.41Å; I1065-D1069 WeakPolarHBondContact O-CB 3.4Å; I1065-D1069 VanDerWaalsContact O-CG 3.31Å; I1065-D1069 PolarHBondContact O-N 2.85Å; I1065-D1069 VanDerWaalsContact O-OD2 3.09Å |
| 1066 | Y | 79.9 | Confident | 69.9 | Low | 36.6 Ų | 36.6 | 39.2 Ų | 39.2 | 14% | 0.144 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 177.7 | 171.5 | -106.8 | 0 | 0 | 0 | 112.5 | F794 W796 L1012 V1024 V1026 C1062 M1063 A1064 E1068 D1069 V1070 V1134 N1136 | F794-Y1066 AromaticContact CD1-CD2 3.2Å; F794-Y1066 HydrophobicContact CD1-CD2 3.2Å; F794-Y1066 AromaticContact CD1-CE2 3.46Å; F794-Y1066 HydrophobicContact CD1-CE2 3.46Å; F794-Y1066 VanDerWaalsContact CD1-CE2 3.41Å; F794-Y1066 HydrophobicContact CD1-CG 4.05Å; F794-Y1066 HydrophobicContact CD2-CD2 4.37Å; F794-Y1066 HydrophobicContact CE1-CD1 4.39Å; F794-Y1066 AromaticContact CE1-CD2 3.23Å; F794-Y1066 HydrophobicContact CE1-CD2 3.23Å; F794-Y1066 AromaticContact CE1-CE2 3.8Å; F794-Y1066 HydrophobicContact CE1-CE2 3.8Å; F794-Y1066 AromaticContact CE1-CG 3.57Å; F794-Y1066 HydrophobicContact CE1-CG 3.57Å; F794-Y1066 HydrophobicContact CE2-CD2 4.35Å; F794-Y1066 AromaticContact CG-CD2 3.88Å; F794-Y1066 HydrophobicContact CG-CD2 3.88Å; F794-Y1066 HydrophobicContact CG-CE2 4.28Å; F794-Y1066 AromaticContact CZ-CD2 3.82Å; F794-Y1066 HydrophobicContact CZ-CD2 3.9Å; F794-Y1066 AromaticContact CZ-CG 3.95Å; F794-Y1066 HydrophobicContact CZ-CG 4.01Å; W796-Y1066 HydrophobicContact CH2-CD2 4.2Å; W796-Y1066 AromaticContact CH2-CE2 3.73Å; W796-Y1066 HydrophobicContact CH2-CE2 3.73Å; W796-Y1066 HydrophobicContact CZ2-CD2 4.14Å; W796-Y1066 AromaticContact CZ2-CE2 3.93Å; W796-Y1066 HydrophobicContact CZ2-CE2 3.93Å; L1012-Y1066 HydrophobicContact CB-CD2 4.1Å; L1012-Y1066 HydrophobicContact CB-CE2 3.93Å; L1012-Y1066 HydrophobicContact CD1-CD2 4.38Å; L1012-Y1066 HydrophobicContact CD1-CE2 3.55Å; L1012-Y1066 HydrophobicContact CD2-CD2 4.43Å; L1012-Y1066 HydrophobicContact CD2-CE2 4.34Å; L1012-Y1066 HydrophobicContact CG-CE2 4.13Å; V1024-Y1066 HydrophobicContact CG1-CE2 4.49Å; V1024-Y1066 WeakPolarHBondContact CG1-OH 3.2Å; V1026-Y1066 HydrophobicContact CG1-CE2 4.26Å; V1026-Y1066 HydrophobicContact CG2-CE1 4.12Å; V1026-Y1066 HydrophobicContact CG2-CE2 3.7Å; V1026-Y1066 WeakPolarHBondContact CG2-OH 3.24Å; C1062-Y1066 WeakPolarHBondContact O-CB 3.41Å; C1062-Y1066 PolarHBondContact O-N 3.01Å; C1062-Y1066 VanDerWaalsContact O-N 3.08Å; M1063-Y1066 HydrophobicContact CE-CD1 3.94Å; M1063-Y1066 HydrophobicContact CE-CE1 4.4Å; M1063-Y1066 CarbonylContact O-C 3.42Å; M1063-Y1066 WeakPolarHBondContact O-CB 3.3Å; M1063-Y1066 PolarHBondContact O-N 3.12Å; M1063-Y1066 VanDerWaalsContact O-N 3.09Å; A1064-Y1066 VanDerWaalsContact C-N 3.31Å; A1064-Y1066 PolarHBondContact O-N 3.09Å; Y1066-E1068 VanDerWaalsContact C-N 3.33Å; Y1066-E1068 PolarHBondContact O-N 3.17Å; Y1066-D1069 CarbonylContact O-C 3.48Å; Y1066-D1069 WeakPolarHBondContact O-CB 3.5Å; Y1066-D1069 PolarHBondContact O-N 3.26Å; Y1066-D1069 VanDerWaalsContact O-N 3.14Å; Y1066-V1070 HydrophobicContact CD1-CG2 4.17Å; Y1066-V1070 HydrophobicContact CD2-CG2 4Å; Y1066-V1070 HydrophobicContact CE1-CG2 3.7Å; Y1066-V1070 HydrophobicContact CE2-CG2 3.63Å; Y1066-V1070 VanDerWaalsContact CE2-CG2 3.49Å; Y1066-V1070 HydrophobicContact CG-CG2 4.3Å; Y1066-V1070 VanDerWaalsContact CZ-CG2 3.46Å; Y1066-V1070 VanDerWaalsContact O-CG2 3.29Å; Y1066-V1070 WeakPolarHBondContact O-CG2 3.32Å; Y1066-V1070 PolarHBondContact O-N 3.17Å; Y1066-V1070 WeakPolarHBondContact OH-CG2 3.45Å; Y1066-V1134 HydrophobicContact CE2-CG1 4.47Å; Y1066-N1136 PolarHBondContact OH-OD1 2.9Å |
| 1067 | E | 78.4 | Confident | 72.6 | Confident | 107.8 Ų | 107.8 | 35.5 Ų | 35.5 | 50% | 0.504 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 178.8 | -74.8 | 171.6 | -168.9 | 0 | 0 | 111.9 | M1063 A1064 I1065 D1069 V1070 V1071 | M1063-E1067 WeakPolarHBondContact O-CB 3.4Å; M1063-E1067 VanDerWaalsContact O-CG 3.31Å; M1063-E1067 WeakPolarHBondContact O-CG 3.32Å; M1063-E1067 PolarHBondContact O-N 3.08Å; A1064-E1067 PolarHBondContact O-N 3.05Å; I1065-E1067 VanDerWaalsContact C-N 3.34Å; I1065-E1067 PolarHBondContact O-N 3.08Å; E1067-D1069 VanDerWaalsContact C-N 3.32Å; E1067-D1069 PolarHBondContact O-N 3.04Å; E1067-V1070 PolarHBondContact O-N 3.02Å; E1067-V1071 WeakPolarHBondContact O-CG2 3.46Å; E1067-V1071 PolarHBondContact O-N 3.02Å; E1067-V1071 VanDerWaalsContact O-N 3.12Å |
| 1068 | E | 83.1 | Confident | 75.3 | Confident | 81.6 Ų | 81.6 | 29.6 Ų | 29.6 | 38% | 0.381 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.3 | -39 | 172.1 | -73.6 | 176.8 | -174.5 | 0 | 0 | 112.9 | K822 R823 A1064 I1065 Y1066 F1072 | K822-E1068 PolarHBondContact NZ-O 2.84Å; K822-E1068 VanDerWaalsContact NZ-O 3.09Å; R823-E1068 IonicContact CZ-OE2 3.03Å; R823-E1068 VanDerWaalsContact CZ-OE2 3.28Å; R823-E1068 IonicContact NH1-OE2 3.2Å; R823-E1068 PolarHBondContact NH1-OE2 3.1Å; R823-E1068 IonicContact NH2-OE2 3.12Å; R823-E1068 PolarHBondContact NH2-OE2 3.18Å; A1064-E1068 WeakPolarHBondContact O-CB 3.15Å; A1064-E1068 VanDerWaalsContact O-CG 3.29Å; A1064-E1068 WeakPolarHBondContact O-CG 3.3Å; A1064-E1068 PolarHBondContact O-N 3.14Å; A1064-E1068 VanDerWaalsContact O-N 3.12Å; I1065-E1068 WeakPolarHBondContact O-CB 3.36Å; I1065-E1068 PolarHBondContact O-N 3.08Å; Y1066-E1068 VanDerWaalsContact C-N 3.33Å; Y1066-E1068 PolarHBondContact O-N 3.17Å; E1068-F1072 VanDerWaalsContact O-CB 3.3Å; E1068-F1072 WeakPolarHBondContact O-CB 3.45Å; E1068-F1072 PolarHBondContact O-N 2.94Å; E1068-F1072 VanDerWaalsContact O-N 3.08Å |
| 1069 | D | 86.9 | Confident | 77.6 | Confident | 1.4 Ų | 1.4 | 23.7 Ų | 23.7 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72.4 | -37.4 | 178.3 | -74.3 | -22.5 | 0 | 0 | 0 | 111.6 | W796 L819 R823 Y857 L1012 I1065 Y1066 E1067 V1071 F1072 L1073 | W796-D1069 HydrophobicContact CH2-CB 4.38Å; W796-D1069 HydrophobicContact CZ2-CB 4.17Å; L819-D1069 WeakPolarHBondContact CD1-OD1 3.46Å; R823-D1069 IonicContact CZ-OD1 3.31Å; R823-D1069 VanDerWaalsContact CZ-OD1 3.29Å; R823-D1069 IonicContact CZ-OD2 2.77Å; R823-D1069 IonicContact NE-OD1 2.88Å; R823-D1069 PolarHBondContact NE-OD1 3.11Å; R823-D1069 VanDerWaalsContact NE-OD1 3.15Å; R823-D1069 IonicContact NE-OD2 3.02Å; R823-D1069 PolarHBondContact NE-OD2 3.49Å; R823-D1069 VanDerWaalsContact NH2-CG 3.35Å; R823-D1069 IonicContact NH2-OD1 3.29Å; R823-D1069 PolarHBondContact NH2-OD1 3.21Å; R823-D1069 IonicContact NH2-OD2 3.35Å; R823-D1069 PolarHBondContact NH2-OD2 3.4Å; Y857-D1069 VanDerWaalsContact CE2-OD2 3.23Å; Y857-D1069 WeakPolarHBondContact CE2-OD2 3.32Å; Y857-D1069 PolarHBondContact OH-OD2 3.02Å; L1012-D1069 HydrophobicContact CD2-CB 3.85Å; I1065-D1069 WeakPolarHBondContact CG2-OD2 3.41Å; I1065-D1069 WeakPolarHBondContact O-CB 3.4Å; I1065-D1069 VanDerWaalsContact O-CG 3.31Å; I1065-D1069 PolarHBondContact O-N 2.85Å; I1065-D1069 VanDerWaalsContact O-OD2 3.09Å; Y1066-D1069 CarbonylContact O-C 3.48Å; Y1066-D1069 WeakPolarHBondContact O-CB 3.5Å; Y1066-D1069 PolarHBondContact O-N 3.26Å; Y1066-D1069 VanDerWaalsContact O-N 3.14Å; E1067-D1069 VanDerWaalsContact C-N 3.32Å; E1067-D1069 PolarHBondContact O-N 3.04Å; D1069-V1071 VanDerWaalsContact C-N 3.35Å; D1069-V1071 PolarHBondContact O-N 3.15Å; D1069-F1072 PolarHBondContact O-N 3.01Å; D1069-L1073 HydrophobicContact CB-CD1 4.39Å; D1069-L1073 VanDerWaalsContact O-CB 3.29Å; D1069-L1073 WeakPolarHBondContact O-CB 3.38Å; D1069-L1073 VanDerWaalsContact O-CG 3.31Å; D1069-L1073 WeakPolarHBondContact O-CG 3.2Å; D1069-L1073 PolarHBondContact O-N 3.2Å |
| 1070 | V | 84.3 | Confident | 79.4 | Confident | 27.6 Ų | 27.6 | 23.4 Ų | 23.4 | 17% | 0.167 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.1 | -53.1 | 173.3 | 168.5 | 0 | 0 | 0 | 0 | 109.5 | W796 L1012 Y1066 E1067 F1072 T1074 | W796-V1070 HydrophobicContact CH2-CB 4.15Å; W796-V1070 HydrophobicContact CH2-CG2 3.56Å; W796-V1070 HydrophobicContact CZ3-CB 4.46Å; W796-V1070 HydrophobicContact CZ3-CG2 4.06Å; L1012-V1070 HydrophobicContact CD1-CG2 4.3Å; Y1066-V1070 HydrophobicContact CD1-CG2 4.17Å; Y1066-V1070 HydrophobicContact CD2-CG2 4Å; Y1066-V1070 HydrophobicContact CE1-CG2 3.7Å; Y1066-V1070 HydrophobicContact CE2-CG2 3.63Å; Y1066-V1070 VanDerWaalsContact CE2-CG2 3.49Å; Y1066-V1070 HydrophobicContact CG-CG2 4.3Å; Y1066-V1070 VanDerWaalsContact CZ-CG2 3.46Å; Y1066-V1070 VanDerWaalsContact O-CG2 3.29Å; Y1066-V1070 WeakPolarHBondContact O-CG2 3.32Å; Y1066-V1070 PolarHBondContact O-N 3.17Å; Y1066-V1070 WeakPolarHBondContact OH-CG2 3.45Å; E1067-V1070 PolarHBondContact O-N 3.02Å; V1070-F1072 VanDerWaalsContact C-N 3.32Å; V1070-F1072 PolarHBondContact O-N 3.11Å; V1070-T1074 HydrophobicContact CG1-CG2 4.35Å; V1070-T1074 VanDerWaalsContact O-CB 3.27Å; V1070-T1074 WeakPolarHBondContact O-CB 3.42Å; V1070-T1074 VanDerWaalsContact O-CG2 3.26Å; V1070-T1074 WeakPolarHBondContact O-CG2 3.37Å; V1070-T1074 PolarHBondContact O-N 3.12Å; V1070-T1074 VanDerWaalsContact O-N 3.14Å; V1070-T1074 PolarHBondContact O-OG1 3.21Å |
| 1071 | V | 83 | Confident | 81 | Confident | 19.6 Ų | 19.6 | 21.6 Ų | 21.6 | 12% | 0.119 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.2 | -42.4 | -179.8 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | E1067 D1069 S1075 H1144 | E1067-V1071 WeakPolarHBondContact O-CG2 3.46Å; E1067-V1071 PolarHBondContact O-N 3.02Å; E1067-V1071 VanDerWaalsContact O-N 3.12Å; D1069-V1071 VanDerWaalsContact C-N 3.35Å; D1069-V1071 PolarHBondContact O-N 3.15Å; V1071-S1075 VanDerWaalsContact O-CB 3.3Å; V1071-S1075 WeakPolarHBondContact O-CB 3.25Å; V1071-S1075 PolarHBondContact O-N 3.11Å; V1071-S1075 PolarHBondContact O-OG 3.03Å; V1071-H1144 HydrophobicContact CG1-CB 4.33Å |
| 1072 | F | 87.7 | Confident | 82.1 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.6 | -56.9 | -179.4 | -176.1 | -94.3 | 0 | 0 | 0 | 113.1 | A818 L819 K822 E1068 D1069 V1070 S1075 L1076 L1321 V1322 | A818-F1072 HydrophobicContact CB-CE1 4.34Å; A818-F1072 HydrophobicContact CB-CZ 3.86Å; A818-F1072 WeakPolarHBondContact O-CZ 3.32Å; L819-F1072 HydrophobicContact CB-CD1 4.43Å; L819-F1072 HydrophobicContact CB-CE1 3.86Å; L819-F1072 HydrophobicContact CD1-CD1 3.73Å; L819-F1072 HydrophobicContact CD1-CE1 3.95Å; K822-F1072 HydrophobicContact CB-CE2 4.02Å; K822-F1072 HydrophobicContact CB-CZ 4.2Å; K822-F1072 HydrophobicContact CD-CB 4.28Å; K822-F1072 HydrophobicContact CD-CD1 4.48Å; K822-F1072 HydrophobicContact CD-CD2 3.23Å; K822-F1072 HydrophobicContact CD-CE2 3.53Å; K822-F1072 VanDerWaalsContact CD-CE2 3.46Å; K822-F1072 HydrophobicContact CD-CG 3.77Å; K822-F1072 HydrophobicContact CD-CZ 4.3Å; K822-F1072 HydrophobicContact CG-CD2 4.46Å; K822-F1072 HydrophobicContact CG-CE2 4.36Å; E1068-F1072 VanDerWaalsContact O-CB 3.3Å; E1068-F1072 WeakPolarHBondContact O-CB 3.45Å; E1068-F1072 PolarHBondContact O-N 2.94Å; E1068-F1072 VanDerWaalsContact O-N 3.08Å; D1069-F1072 PolarHBondContact O-N 3.01Å; V1070-F1072 VanDerWaalsContact C-N 3.32Å; V1070-F1072 PolarHBondContact O-N 3.11Å; F1072-S1075 PolarHBondContact O-N 3.06Å; F1072-L1076 HydrophobicContact CD1-CD1 4.2Å; F1072-L1076 HydrophobicContact CE1-CD1 3.59Å; F1072-L1076 HydrophobicContact CE2-CD1 4.34Å; F1072-L1076 HydrophobicContact CZ-CD1 3.69Å; F1072-L1076 PolarHBondContact O-N 3.06Å; F1072-L1321 HydrophobicContact CD2-CB 3.7Å; F1072-L1321 HydrophobicContact CD2-CD1 4.45Å; F1072-L1321 HydrophobicContact CD2-CD2 4.46Å; F1072-L1321 HydrophobicContact CD2-CG 4.43Å; F1072-L1321 HydrophobicContact CE2-CB 3.69Å; F1072-V1322 HydrophobicContact CE2-CG2 4.01Å; F1072-V1322 HydrophobicContact CZ-CG2 4.14Å |
| 1073 | L | 88.3 | Confident | 83.1 | Confident | 0.4 Ų | 0.4 | 22.8 Ų | 22.8 | 0% | 0.002 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.8 | -45.7 | -174.9 | -69.4 | 172 | 0 | 0 | 0 | 111 | W796 I815 L819 L1012 V1014 D1069 S1075 L1076 I1077 | W796-L1073 HydrophobicContact CD2-CB 4.44Å; W796-L1073 HydrophobicContact CD2-CD1 3.66Å; W796-L1073 HydrophobicContact CE3-CB 4.3Å; W796-L1073 HydrophobicContact CE3-CD1 4.22Å; W796-L1073 HydrophobicContact CG-CD1 4.02Å; W796-L1073 HydrophobicContact CH2-CD1 4.26Å; W796-L1073 HydrophobicContact CZ2-CD1 3.72Å; W796-L1073 HydrophobicContact CZ3-CB 4.45Å; W796-L1073 HydrophobicContact CZ3-CD1 4.42Å; I815-L1073 HydrophobicContact CG2-CD2 3.55Å; I815-L1073 VanDerWaalsContact CG2-CD2 3.45Å; L819-L1073 HydrophobicContact CD1-CD2 4.3Å; L819-L1073 HydrophobicContact CD1-CG 4.4Å; L819-L1073 HydrophobicContact CD2-CD1 4.39Å; L819-L1073 HydrophobicContact CD2-CD2 4.18Å; L1012-L1073 HydrophobicContact CD2-CD1 4.01Å; V1014-L1073 HydrophobicContact CG2-CD1 3.9Å; D1069-L1073 HydrophobicContact CB-CD1 4.39Å; D1069-L1073 VanDerWaalsContact O-CB 3.29Å; D1069-L1073 WeakPolarHBondContact O-CB 3.38Å; D1069-L1073 VanDerWaalsContact O-CG 3.31Å; D1069-L1073 WeakPolarHBondContact O-CG 3.2Å; D1069-L1073 PolarHBondContact O-N 3.2Å; L1073-S1075 VanDerWaalsContact C-N 3.28Å; L1073-S1075 PolarHBondContact O-N 3.06Å; L1073-L1076 PolarHBondContact O-N 3.18Å; L1073-I1077 HydrophobicContact CB-CD1 4.24Å; L1073-I1077 VanDerWaalsContact O-CB 3.31Å; L1073-I1077 WeakPolarHBondContact O-CB 3.41Å; L1073-I1077 VanDerWaalsContact O-CD1 3.28Å; L1073-I1077 WeakPolarHBondContact O-CD1 3.38Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.39Å; L1073-I1077 PolarHBondContact O-N 3.22Å |
| 1074 | T | 86 | Confident | 83.7 | Confident | 9.8 Ų | 9.8 | 20.5 Ų | 20.5 | 6% | 0.06 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.6 | -33.9 | 179.8 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | W796 V1070 T1078 C1139 H1144 | W796-T1074 HydrophobicContact CZ3-CG2 4.28Å; V1070-T1074 HydrophobicContact CG1-CG2 4.35Å; V1070-T1074 VanDerWaalsContact O-CB 3.27Å; V1070-T1074 WeakPolarHBondContact O-CB 3.42Å; V1070-T1074 VanDerWaalsContact O-CG2 3.26Å; V1070-T1074 WeakPolarHBondContact O-CG2 3.37Å; V1070-T1074 PolarHBondContact O-N 3.12Å; V1070-T1074 VanDerWaalsContact O-N 3.14Å; V1070-T1074 PolarHBondContact O-OG1 3.21Å; T1074-T1078 VanDerWaalsContact O-CB 3.32Å; T1074-T1078 WeakPolarHBondContact O-CB 3.39Å; T1074-T1078 PolarHBondContact O-N 3.12Å; T1074-T1078 PolarHBondContact O-OG1 3.08Å; T1074-C1139 VanDerWaalsContact CB-O 3.25Å; T1074-C1139 WeakPolarHBondContact CB-O 3.32Å; T1074-C1139 HydrophobicContact CG2-CB 4.19Å; T1074-C1139 WeakPolarHBondContact CG2-O 3.37Å; T1074-H1144 PolarHBondContact OG1-ND1 3.26Å |
| 1075 | S | 86.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.2 | -51 | 175 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | V1071 F1072 L1073 T1078 V1079 H1144 L1145 | V1071-S1075 VanDerWaalsContact O-CB 3.3Å; V1071-S1075 WeakPolarHBondContact O-CB 3.25Å; V1071-S1075 PolarHBondContact O-N 3.11Å; V1071-S1075 PolarHBondContact O-OG 3.03Å; F1072-S1075 PolarHBondContact O-N 3.06Å; L1073-S1075 VanDerWaalsContact C-N 3.28Å; L1073-S1075 PolarHBondContact O-N 3.06Å; S1075-T1078 PolarHBondContact O-N 3.3Å; S1075-V1079 WeakPolarHBondContact O-CG2 3.45Å; S1075-V1079 PolarHBondContact O-N 3.25Å; S1075-V1079 VanDerWaalsContact O-N 3.14Å; S1075-H1144 VanDerWaalsContact OG-C 3.29Å; S1075-H1144 WeakPolarHBondContact OG-CB 3.35Å; S1075-H1144 PolarHBondContact OG-O 3.11Å; S1075-H1144 VanDerWaalsContact OG-O 3.08Å; S1075-L1145 PolarHBondContact OG-N 3.2Å |
| 1076 | L | 87.4 | Confident | 83.7 | Confident | 9.4 Ų | 9.4 | 18.1 Ų | 18.1 | 5% | 0.049 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 179.7 | -67.7 | 177.4 | 0 | 0 | 0 | 112.5 | I815 A818 F1072 L1073 T1078 V1079 E1080 V1317 L1318 L1321 | I815-L1076 HydrophobicContact CD1-CB 4.36Å; I815-L1076 HydrophobicContact CG1-CB 4.19Å; I815-L1076 HydrophobicContact CG1-CD1 4.46Å; I815-L1076 HydrophobicContact CG2-CB 4.45Å; I815-L1076 HydrophobicContact CG2-CD1 4.32Å; A818-L1076 HydrophobicContact CB-CD1 4.2Å; F1072-L1076 HydrophobicContact CD1-CD1 4.2Å; F1072-L1076 HydrophobicContact CE1-CD1 3.59Å; F1072-L1076 HydrophobicContact CE2-CD1 4.34Å; F1072-L1076 HydrophobicContact CZ-CD1 3.69Å; F1072-L1076 PolarHBondContact O-N 3.06Å; L1073-L1076 PolarHBondContact O-N 3.18Å; L1076-T1078 VanDerWaalsContact C-N 3.31Å; L1076-T1078 PolarHBondContact O-N 2.96Å; L1076-V1079 WeakPolarHBondContact O-CB 3.33Å; L1076-V1079 PolarHBondContact O-N 3.22Å; L1076-E1080 PolarHBondContact O-N 2.95Å; L1076-V1317 HydrophobicContact CD2-CG1 4.37Å; L1076-L1318 HydrophobicContact CD1-CD1 3.95Å; L1076-L1318 HydrophobicContact CD2-CB 4.38Å; L1076-L1318 HydrophobicContact CD2-CD1 3.8Å; L1076-L1318 HydrophobicContact CG-CD1 4.42Å; L1076-L1321 HydrophobicContact CD2-CD1 3.93Å; L1076-L1321 HydrophobicContact CG-CD1 3.93Å |
| 1077 | I | 87.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.3 | -64.7 | 163.8 | 0 | 0 | 0 | 110.2 | L798 I815 V1014 M1016 L1073 V1079 E1080 Q1081 C1139 | L798-I1077 HydrophobicContact CD2-CD1 3.55Å; L798-I1077 HydrophobicContact CD2-CG1 3.77Å; L798-I1077 HydrophobicContact CD2-CG2 4.48Å; I815-I1077 HydrophobicContact CD1-CG1 4.09Å; V1014-I1077 HydrophobicContact CG1-CD1 4.11Å; M1016-I1077 HydrophobicContact CE-CD1 3.65Å; M1016-I1077 HydrophobicContact CE-CG1 4.18Å; M1016-I1077 HydrophobicContact SD-CD1 3.76Å; M1016-I1077 HydrophobicContact SD-CG1 4.17Å; L1073-I1077 HydrophobicContact CB-CD1 4.24Å; L1073-I1077 VanDerWaalsContact O-CB 3.31Å; L1073-I1077 WeakPolarHBondContact O-CB 3.41Å; L1073-I1077 VanDerWaalsContact O-CD1 3.28Å; L1073-I1077 WeakPolarHBondContact O-CD1 3.38Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.39Å; L1073-I1077 PolarHBondContact O-N 3.22Å; I1077-V1079 VanDerWaalsContact C-N 3.34Å; I1077-V1079 PolarHBondContact O-N 3.16Å; I1077-E1080 PolarHBondContact O-N 3.25Å; I1077-Q1081 HydrophobicContact CG2-CG 4.14Å; I1077-Q1081 WeakPolarHBondContact O-CB 3.23Å; I1077-Q1081 VanDerWaalsContact O-CG 3.26Å; I1077-Q1081 WeakPolarHBondContact O-CG 3.24Å; I1077-Q1081 PolarHBondContact O-N 3Å; I1077-C1139 HydrophobicContact CB-CB 4.27Å; I1077-C1139 HydrophobicContact CD1-CB 4.01Å; I1077-C1139 HydrophobicContact CG2-CB 3.83Å |
| 1078 | T | 86.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 177.6 | -59 | 0 | 0 | 0 | 0 | 111.4 | T1074 S1075 L1076 E1080 Q1081 L1082 C1139 F1140 S1141 L1142 L1145 | T1074-T1078 VanDerWaalsContact O-CB 3.32Å; T1074-T1078 WeakPolarHBondContact O-CB 3.39Å; T1074-T1078 PolarHBondContact O-N 3.12Å; T1074-T1078 PolarHBondContact O-OG1 3.08Å; S1075-T1078 PolarHBondContact O-N 3.3Å; L1076-T1078 VanDerWaalsContact C-N 3.31Å; L1076-T1078 PolarHBondContact O-N 2.96Å; T1078-E1080 VanDerWaalsContact C-N 3.33Å; T1078-E1080 PolarHBondContact O-N 3.38Å; T1078-Q1081 PolarHBondContact O-N 3.24Å; T1078-L1082 HydrophobicContact CG2-CD1 4.34Å; T1078-L1082 HydrophobicContact CG2-CG 4.46Å; T1078-L1082 WeakPolarHBondContact O-CB 3.48Å; T1078-L1082 VanDerWaalsContact O-CG 3.25Å; T1078-L1082 WeakPolarHBondContact O-CG 3.33Å; T1078-L1082 PolarHBondContact O-N 3.24Å; T1078-C1139 PolarHBondContact OG1-O 3.22Å; T1078-F1140 HydrophobicContact CG2-CD2 3.91Å; T1078-F1140 HydrophobicContact CG2-CE2 3.81Å; T1078-F1140 HydrophobicContact CG2-CG 4.48Å; T1078-F1140 HydrophobicContact CG2-CZ 4.32Å; T1078-S1141 PolarHBondContact OG1-N 3.14Å; T1078-L1142 HydrophobicContact CG2-CD2 4.21Å; T1078-L1145 HydrophobicContact CG2-CB 4.39Å; T1078-L1145 HydrophobicContact CG2-CD2 3.92Å |
| 1079 | V | 86.6 | Confident | 81.5 | Confident | 2.4 Ų | 2.4 | 20 Ų | 20 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.7 | -48.9 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | S1075 L1076 I1077 Q1081 L1082 K1083 L1145 R1262 R1314 V1317 | S1075-V1079 WeakPolarHBondContact O-CG2 3.45Å; S1075-V1079 PolarHBondContact O-N 3.25Å; S1075-V1079 VanDerWaalsContact O-N 3.14Å; L1076-V1079 WeakPolarHBondContact O-CB 3.33Å; L1076-V1079 PolarHBondContact O-N 3.22Å; I1077-V1079 VanDerWaalsContact C-N 3.34Å; I1077-V1079 PolarHBondContact O-N 3.16Å; V1079-Q1081 PolarHBondContact O-N 3.06Å; V1079-L1082 VanDerWaalsContact O-CB 3.3Å; V1079-L1082 WeakPolarHBondContact O-CB 3.32Å; V1079-L1082 PolarHBondContact O-N 3.03Å; V1079-L1082 VanDerWaalsContact O-N 3.12Å; V1079-K1083 PolarHBondContact O-N 3.33Å; V1079-K1083 VanDerWaalsContact O-N 3.1Å; V1079-L1145 HydrophobicContact CG2-CD1 3.39Å; V1079-L1145 VanDerWaalsContact CG2-CD1 3.43Å; V1079-L1145 HydrophobicContact CG2-CD2 4.27Å; V1079-L1145 HydrophobicContact CG2-CG 4.46Å; V1079-R1262 PolarHBondContact O-NH1 2.9Å; V1079-R1314 HydrophobicContact CG1-CB 4.09Å; V1079-R1314 HydrophobicContact CG1-CG 4.21Å; V1079-V1317 HydrophobicContact CG2-CG1 4.2Å |
| 1080 | E | 85 | Confident | 79.8 | Confident | 7.2 Ų | 7.2 | 24 Ų | 24 | 3% | 0.034 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.2 | -32.2 | -177.7 | -63.5 | -65.4 | 164.8 | 0 | 0 | 112.6 | M807 V811 L1076 I1077 T1078 L1082 K1083 A1084 R1262 R1314 | M807-E1080 HydrophobicContact SD-CB 3.76Å; M807-E1080 VanDerWaalsContact SD-CB 3.57Å; M807-E1080 HydrophobicContact SD-CG 4.2Å; V811-E1080 HydrophobicContact CG1-CB 4.15Å; V811-E1080 HydrophobicContact CG1-CG 3.54Å; V811-E1080 VanDerWaalsContact CG1-CG 3.46Å; L1076-E1080 PolarHBondContact O-N 2.95Å; I1077-E1080 PolarHBondContact O-N 3.25Å; T1078-E1080 VanDerWaalsContact C-N 3.33Å; T1078-E1080 PolarHBondContact O-N 3.38Å; E1080-L1082 VanDerWaalsContact C-N 3.3Å; E1080-L1082 PolarHBondContact O-N 3.01Å; E1080-K1083 WeakPolarHBondContact O-CA 3.34Å; E1080-K1083 VanDerWaalsContact O-CB 3.3Å; E1080-K1083 WeakPolarHBondContact O-CB 3.28Å; E1080-K1083 PolarHBondContact O-N 3Å; E1080-K1083 WeakPolarHBondContact OE2-CD 3.44Å; E1080-K1083 IonicContact OE2-NZ 2.79Å; E1080-A1084 PolarHBondContact O-N 3.23Å; E1080-A1084 VanDerWaalsContact O-N 3.1Å; E1080-R1262 IonicContact OE2-CZ 2.72Å; E1080-R1262 IonicContact OE2-NH1 3.08Å; E1080-R1262 PolarHBondContact OE2-NH1 3.13Å; E1080-R1262 IonicContact OE2-NH2 3.97Å; E1080-R1262 PolarHBondContact OE2-NH2 2.76Å; E1080-R1314 WeakPolarHBondContact OE1-CD 3.46Å; E1080-R1314 IonicContact OE1-CZ 3.39Å; E1080-R1314 IonicContact OE1-NE 3.3Å; E1080-R1314 PolarHBondContact OE1-NE 3.31Å; E1080-R1314 IonicContact OE1-NH1 3.17Å; E1080-R1314 PolarHBondContact OE1-NH1 3.43Å; E1080-R1314 IonicContact OE1-NH2 2.74Å; E1080-R1314 PolarHBondContact OE1-NH2 3.3Å |
| 1081 | Q | 83.7 | Confident | 78.4 | Confident | 3.4 Ų | 3.4 | 31.3 Ų | 31.3 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65 | -31.8 | 169.8 | -72.2 | 176.4 | -18.4 | 0 | 0 | 112.4 | L798 K799 L800 I1077 T1078 V1079 K1083 A1084 L1085 F1135 F1140 | L798-Q1081 PolarHBondContact O-NE2 3.3Å; K799-Q1081 PolarHBondContact O-NE2 3.31Å; L800-Q1081 HydrophobicContact CB-CG 4.2Å; L800-Q1081 HydrophobicContact CD1-CB 4.14Å; L800-Q1081 HydrophobicContact CD1-CG 4.2Å; L800-Q1081 HydrophobicContact CD2-CB 4.28Å; I1077-Q1081 HydrophobicContact CG2-CG 4.14Å; I1077-Q1081 WeakPolarHBondContact O-CB 3.23Å; I1077-Q1081 VanDerWaalsContact O-CG 3.26Å; I1077-Q1081 WeakPolarHBondContact O-CG 3.24Å; I1077-Q1081 PolarHBondContact O-N 3Å; T1078-Q1081 PolarHBondContact O-N 3.24Å; V1079-Q1081 PolarHBondContact O-N 3.06Å; Q1081-K1083 VanDerWaalsContact C-N 3.28Å; Q1081-K1083 PolarHBondContact O-N 2.93Å; Q1081-A1084 WeakPolarHBondContact O-CB 3.41Å; Q1081-A1084 PolarHBondContact O-N 3.28Å; Q1081-L1085 WeakPolarHBondContact O-CG 3.25Å; Q1081-L1085 PolarHBondContact O-N 3Å; Q1081-L1085 VanDerWaalsContact O-N 3.09Å; Q1081-F1135 HydrophobicContact CB-CD1 4.48Å; Q1081-F1135 HydrophobicContact CG-CD1 4.19Å; Q1081-F1140 HydrophobicContact CB-CD2 4.18Å; Q1081-F1140 HydrophobicContact CB-CE2 4.41Å; Q1081-F1140 VanDerWaalsContact OE1-CD2 3.27Å |
| 1082 | L | 83.5 | Confident | 77 | Confident | 0.8 Ų | 0.8 | 33.4 Ų | 33.4 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.1 | -30.8 | 171.3 | -69.5 | 165.9 | 0 | 0 | 0 | 112.3 | T1078 V1079 E1080 A1084 L1085 C1086 F1140 L1142 L1145 I1254 L1264 | T1078-L1082 HydrophobicContact CG2-CD1 4.34Å; T1078-L1082 HydrophobicContact CG2-CG 4.46Å; T1078-L1082 WeakPolarHBondContact O-CB 3.48Å; T1078-L1082 VanDerWaalsContact O-CG 3.25Å; T1078-L1082 WeakPolarHBondContact O-CG 3.33Å; T1078-L1082 PolarHBondContact O-N 3.24Å; V1079-L1082 VanDerWaalsContact O-CB 3.3Å; V1079-L1082 WeakPolarHBondContact O-CB 3.32Å; V1079-L1082 PolarHBondContact O-N 3.03Å; V1079-L1082 VanDerWaalsContact O-N 3.12Å; E1080-L1082 VanDerWaalsContact C-N 3.3Å; E1080-L1082 PolarHBondContact O-N 3.01Å; L1082-A1084 VanDerWaalsContact C-N 3.33Å; L1082-A1084 PolarHBondContact O-N 2.7Å; L1082-L1085 HydrophobicContact CD2-CD1 4.24Å; L1082-L1085 PolarHBondContact O-N 3.37Å; L1082-C1086 PolarHBondContact O-N 3.05Å; L1082-C1086 VanDerWaalsContact O-N 3.15Å; L1082-C1086 PolarHBondContact O-SG 3Å; L1082-C1086 VanDerWaalsContact O-SG 3.36Å; L1082-F1140 HydrophobicContact CD2-CE2 4.27Å; L1082-F1140 HydrophobicContact CD2-CZ 4.38Å; L1082-F1140 HydrophobicContact CG-CE2 4.44Å; L1082-L1142 HydrophobicContact CD1-CD2 4.35Å; L1082-L1145 HydrophobicContact CD1-CD2 3.53Å; L1082-L1145 VanDerWaalsContact CD1-CD2 3.49Å; L1082-I1254 HydrophobicContact CD2-CD1 3.71Å; L1082-I1254 HydrophobicContact CD2-CG1 4.38Å; L1082-I1254 HydrophobicContact CD2-CG2 4.43Å; L1082-L1264 HydrophobicContact CD1-CD1 3.89Å; L1082-L1264 HydrophobicContact CD1-CD2 4.06Å; L1082-L1264 HydrophobicContact CD1-CG 4.41Å; L1082-L1264 HydrophobicContact CD2-CD2 3.82Å; L1082-L1264 HydrophobicContact CG-CD2 4.47Å |
| 1083 | K | 82.3 | Confident | 75.7 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59 | -49 | 170.2 | -170 | -176.7 | 176.8 | -169.6 | 0 | 110.3 | E808 V1079 E1080 Q1081 L1085 C1086 H1087 R1262 | E808-K1083 IonicContact OE1-NZ 3.7Å; E808-K1083 IonicContact OE2-NZ 3.26Å; E808-K1083 PolarHBondContact OE2-NZ 3.12Å; V1079-K1083 PolarHBondContact O-N 3.33Å; V1079-K1083 VanDerWaalsContact O-N 3.1Å; E1080-K1083 WeakPolarHBondContact O-CA 3.34Å; E1080-K1083 VanDerWaalsContact O-CB 3.3Å; E1080-K1083 WeakPolarHBondContact O-CB 3.28Å; E1080-K1083 PolarHBondContact O-N 3Å; E1080-K1083 WeakPolarHBondContact OE2-CD 3.44Å; E1080-K1083 IonicContact OE2-NZ 2.79Å; Q1081-K1083 VanDerWaalsContact C-N 3.28Å; Q1081-K1083 PolarHBondContact O-N 2.93Å; K1083-L1085 VanDerWaalsContact C-N 3.31Å; K1083-L1085 PolarHBondContact O-N 3.15Å; K1083-C1086 WeakPolarHBondContact O-CB 3.26Å; K1083-C1086 PolarHBondContact O-N 3.14Å; K1083-C1086 VanDerWaalsContact O-N 3.14Å; K1083-H1087 PolarHBondContact O-CD2 2.92Å; K1083-H1087 PolarHBondContact O-N 2.96Å; K1083-R1262 VanDerWaalsContact CA-NE 3.31Å; K1083-R1262 VanDerWaalsContact CB-CZ 3.43Å; K1083-R1262 VanDerWaalsContact CB-NH2 3.26Å; K1083-R1262 VanDerWaalsContact CD-NH2 3.33Å |
| 1084 | A | 77.3 | Confident | 74.2 | Confident | 4.2 Ų | 4.2 | 36.9 Ų | 36.9 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -44.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y805 E1080 Q1081 L1082 C1086 H1087 E1088 F1135 | Y805-A1084 HydrophobicContact CD1-CB 3.33Å; Y805-A1084 VanDerWaalsContact CD1-CB 3.48Å; Y805-A1084 HydrophobicContact CD2-CB 3.6Å; Y805-A1084 VanDerWaalsContact CD2-CB 3.43Å; Y805-A1084 HydrophobicContact CE1-CB 3.69Å; Y805-A1084 HydrophobicContact CE2-CB 3.96Å; Y805-A1084 HydrophobicContact CG-CB 3.27Å; Y805-A1084 VanDerWaalsContact CG-CB 3.45Å; E1080-A1084 PolarHBondContact O-N 3.23Å; E1080-A1084 VanDerWaalsContact O-N 3.1Å; Q1081-A1084 WeakPolarHBondContact O-CB 3.41Å; Q1081-A1084 PolarHBondContact O-N 3.28Å; L1082-A1084 VanDerWaalsContact C-N 3.33Å; L1082-A1084 PolarHBondContact O-N 2.7Å; A1084-C1086 VanDerWaalsContact C-N 3.26Å; A1084-C1086 PolarHBondContact O-N 3.2Å; A1084-C1086 VanDerWaalsContact O-N 3.13Å; A1084-H1087 PolarHBondContact O-N 3.07Å; A1084-H1087 VanDerWaalsContact O-N 3.11Å; A1084-E1088 PolarHBondContact O-N 3.18Å; A1084-E1088 VanDerWaalsContact O-N 3.13Å; A1084-F1135 HydrophobicContact CB-CE1 4.46Å |
| 1085 | L | 77.6 | Confident | 72.8 | Confident | 1.8 Ų | 1.8 | 37.1 Ų | 37.1 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -25 | 177.2 | -71.6 | 170.6 | 0 | 0 | 0 | 113 | L800 T803 Q1081 L1082 K1083 H1087 H1093 L1095 V1103 F1135 F1140 N1191 V1193 I1254 | L800-L1085 HydrophobicContact CD2-CD1 3.98Å; L800-L1085 HydrophobicContact CD2-CD2 3.79Å; L800-L1085 HydrophobicContact CD2-CG 3.76Å; T803-L1085 HydrophobicContact CG2-CD2 4.44Å; Q1081-L1085 WeakPolarHBondContact O-CG 3.25Å; Q1081-L1085 PolarHBondContact O-N 3Å; Q1081-L1085 VanDerWaalsContact O-N 3.09Å; L1082-L1085 HydrophobicContact CD2-CD1 4.24Å; L1082-L1085 PolarHBondContact O-N 3.37Å; K1083-L1085 VanDerWaalsContact C-N 3.31Å; K1083-L1085 PolarHBondContact O-N 3.15Å; L1085-H1087 VanDerWaalsContact C-N 3.31Å; L1085-H1087 PolarHBondContact O-N 3.27Å; L1085-H1093 HydrophobicContact CD2-CB 4.34Å; L1085-H1093 VanDerWaalsContact CD2-CD2 3.5Å; L1085-H1093 WeakPolarHBondContact CD2-CD2 3.31Å; L1085-L1095 HydrophobicContact CD1-CD1 4.4Å; L1085-L1095 HydrophobicContact CD2-CD2 4.49Å; L1085-V1103 HydrophobicContact CD2-CG1 4.05Å; L1085-V1103 HydrophobicContact CD2-CG2 3.98Å; L1085-F1135 HydrophobicContact CD2-CE2 3.64Å; L1085-F1135 HydrophobicContact CD2-CZ 3.53Å; L1085-F1135 HydrophobicContact CG-CE2 4.42Å; L1085-F1135 HydrophobicContact CG-CZ 3.96Å; L1085-F1140 HydrophobicContact CD1-CE2 4.09Å; L1085-F1140 HydrophobicContact CD1-CZ 4.39Å; L1085-N1191 WeakPolarHBondContact O-CB 3.42Å; L1085-N1191 PolarHBondContact O-ND2 2.97Å; L1085-V1193 HydrophobicContact CD1-CG2 4.25Å; L1085-I1254 HydrophobicContact CB-CD1 4.17Å; L1085-I1254 HydrophobicContact CD1-CD1 4.1Å |
| 1086 | C | 77 | Confident | 71.1 | Confident | 6.6 Ų | 6.6 | 40 Ų | 40 | 5% | 0.045 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.5 | -24.8 | 172.5 | -69 | 0 | 0 | 0 | 0 | 113.5 | L1082 K1083 A1084 T1190 I1254 Q1256 | L1082-C1086 PolarHBondContact O-N 3.05Å; L1082-C1086 VanDerWaalsContact O-N 3.15Å; L1082-C1086 PolarHBondContact O-SG 3Å; L1082-C1086 VanDerWaalsContact O-SG 3.36Å; K1083-C1086 WeakPolarHBondContact O-CB 3.26Å; K1083-C1086 PolarHBondContact O-N 3.14Å; K1083-C1086 VanDerWaalsContact O-N 3.14Å; A1084-C1086 VanDerWaalsContact C-N 3.26Å; A1084-C1086 PolarHBondContact O-N 3.2Å; A1084-C1086 VanDerWaalsContact O-N 3.13Å; C1086-T1190 HydrophobicContact CB-CG2 4.12Å; C1086-T1190 WeakPolarHBondContact O-CG2 3.38Å; C1086-T1190 PolarHBondContact SG-OG1 2.9Å; C1086-I1254 VanDerWaalsContact SG-CG2 3.55Å; C1086-I1254 WeakPolarHBondContact SG-CG2 3.35Å; C1086-Q1256 HydrophobicContact CB-CB 4.17Å |
| 1087 | H | 72.2 | Confident | 69.1 | Low | 116.4 Ų | 116.4 | 46.1 Ų | 46.1 | 54% | 0.539 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -96.8 | -22.9 | -174.9 | -64.8 | -58.1 | 0 | 0 | 0 | 113.8 | K1083 A1084 L1085 T1089 Q1256 | K1083-H1087 PolarHBondContact O-CD2 2.92Å; K1083-H1087 PolarHBondContact O-N 2.96Å; A1084-H1087 PolarHBondContact O-N 3.07Å; A1084-H1087 VanDerWaalsContact O-N 3.11Å; L1085-H1087 VanDerWaalsContact C-N 3.31Å; L1085-H1087 PolarHBondContact O-N 3.27Å; H1087-T1089 VanDerWaalsContact C-N 3.28Å; H1087-T1089 PolarHBondContact O-N 3.12Å; H1087-Q1256 PolarHBondContact CE1-OE1 2.97Å; H1087-Q1256 VanDerWaalsContact CE1-OE1 3.29Å |
| 1088 | E | 66.5 | Low | 67.2 | Low | 52.2 Ų | 52.2 | 54.5 Ų | 54.5 | 24% | 0.244 | 28% | 0.277 | C | S | . | . | trans | -90.7 | 90.6 | 179.9 | -101.7 | -176.2 | -173.5 | 0 | 0 | 111.6 | T803 V804 Y805 A1084 A1090 H1093 V1133 N1191 | T803-E1088 WeakPolarHBondContact CB-OE1 3.33Å; T803-E1088 WeakPolarHBondContact CB-OE2 3.34Å; T803-E1088 WeakPolarHBondContact CG2-OE2 3.32Å; V804-E1088 PolarHBondContact N-OE1 3.26Å; V804-E1088 VanDerWaalsContact N-OE1 3.07Å; Y805-E1088 PolarHBondContact N-OE1 3.15Å; Y805-E1088 VanDerWaalsContact N-OE1 3.1Å; A1084-E1088 PolarHBondContact O-N 3.18Å; A1084-E1088 VanDerWaalsContact O-N 3.13Å; E1088-A1090 VanDerWaalsContact C-N 3.26Å; E1088-A1090 PolarHBondContact O-N 3.17Å; E1088-H1093 PolarHBondContact O-NE2 2.89Å; E1088-H1093 IonicContact OE2-CD2 3.16Å; E1088-H1093 IonicContact OE2-CE1 3.29Å; E1088-H1093 PolarHBondContact OE2-CE1 3.15Å; E1088-H1093 IonicContact OE2-NE2 3.09Å; E1088-H1093 PolarHBondContact OE2-NE2 3.21Å; E1088-V1133 WeakPolarHBondContact OE2-CG2 3.48Å; E1088-N1191 PolarHBondContact O-ND2 3.2Å; E1088-N1191 VanDerWaalsContact O-ND2 3.09Å | ||
| 1089 | T | 56.3 | Low | 65.3 | Low | 97.6 Ų | 97.6 | 59.3 Ų | 59.3 | 60% | 0.599 | 30% | 0.299 | S | S | * | . | trans | -90.6 | -1.1 | -171.5 | 51.9 | 0 | 0 | 0 | 0 | 115.5 | H1087 P1105 T1190 | H1087-T1089 VanDerWaalsContact C-N 3.28Å; H1087-T1089 PolarHBondContact O-N 3.12Å; T1089-P1105 WeakPolarHBondContact O-CB 3.37Å; T1089-T1190 HydrophobicContact CG2-CG2 4.38Å | ||
| 1090 | A | 50.8 | Low | 63.4 | Low | 86.4 Ų | 86.4 | 61.2 Ų | 61.2 | 71% | 0.714 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -98.8 | -19.2 | -159.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | E1088 | E1088-A1090 VanDerWaalsContact C-N 3.26Å; E1088-A1090 PolarHBondContact O-N 3.17Å |
| 1091 | R | 53.7 | Low | 61.5 | Low | 179.6 Ų | 179.6 | 63.5 Ų | 63.5 | 68% | 0.678 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -150.1 | 142.7 | -175.8 | -66.6 | -173.3 | -179.2 | 158.6 | 3.7 | 113.3 | H1093 K1131 | R1091-H1093 WeakPolarHBondContact CB-NE2 3.44Å; R1091-H1093 PolarHBondContact O-CD2 2.88Å; R1091-H1093 VanDerWaalsContact O-CD2 3.22Å; R1091-H1093 PolarHBondContact O-N 3.34Å; R1091-H1093 VanDerWaalsContact O-N 3.17Å; R1091-H1093 PolarHBondContact O-ND1 3.01Å; R1091-H1093 PolarHBondContact O-NE2 3.27Å; R1091-K1131 VanDerWaalsContact CD-O 3.32Å; R1091-K1131 WeakPolarHBondContact CD-O 3.42Å; R1091-K1131 PolarHBondContact NH1-O 3.1Å |
| 1092 | P | 55 | Low | 59.7 | Low | 64.8 Ų | 64.8 | 66.8 Ų | 66.8 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | trans | -66.1 | 125 | 168.9 | 27.4 | -32.2 | 0 | 0 | 0 | 110 | V1094 V1103 Y1104 P1105 W1192 T1615 | P1092-V1094 PolarHBondContact O-N 2.93Å; P1092-V1103 CarbonylContact C-O 3.5Å; P1092-V1103 WeakPolarHBondContact CA-O 3.35Å; P1092-V1103 WeakPolarHBondContact CB-O 3.41Å; P1092-Y1104 HydrophobicContact CB-CD1 3.83Å; P1092-Y1104 HydrophobicContact CB-CE1 3.92Å; P1092-Y1104 HydrophobicContact CB-CG 4.27Å; P1092-Y1104 HydrophobicContact CG-CD1 4.4Å; P1092-P1105 VanDerWaalsContact CA-CD 3.44Å; P1092-W1192 HydrophobicContact CB-CD2 3.96Å; P1092-W1192 HydrophobicContact CB-CE3 4.09Å; P1092-W1192 HydrophobicContact CB-CH2 3.56Å; P1092-W1192 HydrophobicContact CB-CZ2 3.5Å; P1092-W1192 HydrophobicContact CB-CZ3 3.98Å; P1092-W1192 HydrophobicContact CG-CH2 4.23Å; P1092-W1192 HydrophobicContact CG-CZ2 4.09Å; P1092-T1615 HydrophobicContact CG-CG2 4.24Å | ||
| 1093 | H | 60.6 | Low | 57.8 | Low | 31.6 Ų | 31.6 | 67.8 Ų | 67.8 | 15% | 0.146 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.5 | -179.1 | -57.2 | -73.9 | 0 | 0 | 0 | 110.3 | G802 T803 L1085 E1088 R1091 L1095 F1102 V1103 F1135 | G802-H1093 PolarHBondContact O-ND1 3.17Å; T803-H1093 WeakPolarHBondContact CG2-NE2 3.42Å; L1085-H1093 HydrophobicContact CD2-CB 4.34Å; L1085-H1093 VanDerWaalsContact CD2-CD2 3.5Å; L1085-H1093 WeakPolarHBondContact CD2-CD2 3.31Å; E1088-H1093 PolarHBondContact O-NE2 2.89Å; E1088-H1093 IonicContact OE2-CD2 3.16Å; E1088-H1093 IonicContact OE2-CE1 3.29Å; E1088-H1093 PolarHBondContact OE2-CE1 3.15Å; E1088-H1093 IonicContact OE2-NE2 3.09Å; E1088-H1093 PolarHBondContact OE2-NE2 3.21Å; R1091-H1093 WeakPolarHBondContact CB-NE2 3.44Å; R1091-H1093 PolarHBondContact O-CD2 2.88Å; R1091-H1093 VanDerWaalsContact O-CD2 3.22Å; R1091-H1093 PolarHBondContact O-N 3.34Å; R1091-H1093 VanDerWaalsContact O-N 3.17Å; R1091-H1093 PolarHBondContact O-ND1 3.01Å; R1091-H1093 PolarHBondContact O-NE2 3.27Å; H1093-L1095 PolarHBondContact O-N 2.88Å; H1093-F1102 CarbonylContact O-C 3.59Å; H1093-F1102 WeakPolarHBondContact O-CA 3.44Å; H1093-V1103 HydrophobicContact CB-CB 3.83Å; H1093-V1103 HydrophobicContact CB-CG1 4.5Å; H1093-V1103 HydrophobicContact CB-CG2 4.1Å; H1093-V1103 PolarHBondContact N-O 3.11Å; H1093-V1103 VanDerWaalsContact N-O 3.11Å; H1093-V1103 WeakPolarHBondContact O-CB 3.19Å; H1093-V1103 PolarHBondContact O-N 3.09Å; H1093-F1135 HydrophobicContact CB-CE2 4.17Å |
| 1094 | V | 55.3 | Low | 56.1 | Low | 42 Ų | 42 | 68.8 Ų | 68.8 | 26% | 0.255 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.8 | 172.7 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | P1092 N1096 E1099 Y1101 F1102 C1132 K1196 T1615 | P1092-V1094 PolarHBondContact O-N 2.93Å; V1094-N1096 VanDerWaalsContact C-N 3.25Å; V1094-N1096 WeakPolarHBondContact CG1-O 3.46Å; V1094-N1096 WeakPolarHBondContact CG1-OD1 3.36Å; V1094-N1096 PolarHBondContact O-N 3.17Å; V1094-E1099 HydrophobicContact CG1-CB 4.28Å; V1094-E1099 HydrophobicContact CG1-CG 4.16Å; V1094-Y1101 WeakPolarHBondContact CA-O 3.21Å; V1094-F1102 HydrophobicContact CB-CE1 4.5Å; V1094-F1102 HydrophobicContact CG1-CD1 4.37Å; V1094-F1102 HydrophobicContact CG1-CE1 4.09Å; V1094-F1102 HydrophobicContact CG1-CZ 4.3Å; V1094-F1102 HydrophobicContact CG2-CD1 3.97Å; V1094-F1102 HydrophobicContact CG2-CE1 3.84Å; V1094-F1102 VanDerWaalsContact CG2-CE1 3.42Å; V1094-F1102 HydrophobicContact CG2-CZ 4.21Å; V1094-C1132 PolarHBondContact N-SG 2.94Å; V1094-C1132 VanDerWaalsContact N-SG 3.44Å; V1094-K1196 HydrophobicContact CG1-CD 3.79Å; V1094-K1196 HydrophobicContact CG1-CG 4.45Å; V1094-T1615 HydrophobicContact CG2-CG2 3.34Å |
| 1095 | L | 56.8 | Low | 54.5 | Low | 14 Ų | 14 | 70.4 Ų | 70.4 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | trans | -70.3 | 55.7 | 172.4 | -62.1 | 171 | 0 | 0 | 0 | 109.4 | L800 P801 L1085 H1093 E1097 E1099 Y1101 V1103 F1135 N1138 F1140 V1193 | L800-L1095 HydrophobicContact CD1-CD1 4.42Å; L800-L1095 HydrophobicContact CD1-CD2 3.94Å; L800-L1095 HydrophobicContact CD1-CG 4.45Å; L800-L1095 HydrophobicContact CD2-CD2 3.91Å; L800-L1095 HydrophobicContact CG-CD2 3.74Å; P801-L1095 WeakPolarHBondContact CB-O 3.3Å; P801-L1095 WeakPolarHBondContact CD-O 3.07Å; P801-L1095 WeakPolarHBondContact CG-O 3.34Å; L1085-L1095 HydrophobicContact CD1-CD1 4.4Å; L1085-L1095 HydrophobicContact CD2-CD2 4.49Å; H1093-L1095 PolarHBondContact O-N 2.88Å; L1095-E1097 PolarHBondContact O-N 2.75Å; L1095-E1099 HydrophobicContact CB-CB 4.38Å; L1095-Y1101 WeakPolarHBondContact CB-O 3.47Å; L1095-Y1101 HydrophobicContact CD1-CG 4.3Å; L1095-Y1101 PolarHBondContact N-O 3.07Å; L1095-V1103 HydrophobicContact CD1-CG2 3.8Å; L1095-V1103 HydrophobicContact CD2-CG2 3.58Å; L1095-V1103 HydrophobicContact CG-CG2 3.86Å; L1095-F1135 HydrophobicContact CD2-CB 3.51Å; L1095-F1135 HydrophobicContact CD2-CD2 3.5Å; L1095-F1135 HydrophobicContact CD2-CG 3.89Å; L1095-F1135 HydrophobicContact CG-CD2 4.48Å; L1095-N1138 PolarHBondContact O-ND2 3.03Å; L1095-F1140 HydrophobicContact CD1-CD1 3.79Å; L1095-F1140 HydrophobicContact CD1-CD2 4.37Å; L1095-F1140 HydrophobicContact CD1-CE1 3.61Å; L1095-F1140 VanDerWaalsContact CD1-CE1 3.47Å; L1095-F1140 HydrophobicContact CD1-CE2 4.21Å; L1095-F1140 HydrophobicContact CD1-CG 4.19Å; L1095-F1140 HydrophobicContact CD1-CZ 4.03Å; L1095-F1140 HydrophobicContact CD2-CD1 4.17Å; L1095-F1140 HydrophobicContact CD2-CE1 4.33Å; L1095-F1140 HydrophobicContact CD2-CG 4.4Å; L1095-V1193 HydrophobicContact CD1-CG1 4.04Å; L1095-V1193 HydrophobicContact CG-CG1 3.93Å | ||
| 1096 | N | 51.7 | Low | 52.8 | Low | 59.6 Ų | 59.6 | 72.5 Ų | 72.5 | 32% | 0.319 | 37% | 0.365 | S | S | . | . | trans | -96.3 | 139.5 | -174.9 | -52.6 | -26.9 | 0 | 0 | 0 | 113.5 | V1094 K1098 E1099 E1100 Y1101 V1134 N1138 K1196 | V1094-N1096 VanDerWaalsContact C-N 3.25Å; V1094-N1096 WeakPolarHBondContact CG1-O 3.46Å; V1094-N1096 WeakPolarHBondContact CG1-OD1 3.36Å; V1094-N1096 PolarHBondContact O-N 3.17Å; N1096-K1098 CarbonylContact O-C 3.54Å; N1096-K1098 PolarHBondContact O-N 2.99Å; N1096-K1098 VanDerWaalsContact O-N 3.11Å; N1096-E1099 HydrophobicContact CB-CG 4.26Å; N1096-E1099 WeakPolarHBondContact O-CA 3.46Å; N1096-E1099 VanDerWaalsContact O-CB 3.29Å; N1096-E1099 WeakPolarHBondContact O-CB 3.44Å; N1096-E1099 WeakPolarHBondContact O-CG 3.3Å; N1096-E1099 PolarHBondContact O-N 3.05Å; N1096-E1099 VanDerWaalsContact O-N 3.13Å; N1096-E1099 WeakPolarHBondContact OD1-CA 3.3Å; N1096-E1099 PolarHBondContact OD1-N 3.13Å; N1096-E1100 WeakPolarHBondContact ND2-CB 3.32Å; N1096-E1100 VanDerWaalsContact ND2-CD 3.26Å; N1096-E1100 VanDerWaalsContact ND2-CG 3.25Å; N1096-E1100 WeakPolarHBondContact ND2-CG 3.35Å; N1096-E1100 PolarHBondContact ND2-N 3.15Å; N1096-E1100 PolarHBondContact ND2-OE2 3.11Å; N1096-E1100 VanDerWaalsContact ND2-OE2 3.07Å; N1096-E1100 WeakPolarHBondContact OD1-CB 3.34Å; N1096-E1100 PolarHBondContact OD1-N 3.03Å; N1096-Y1101 PolarHBondContact OD1-N 2.98Å; N1096-V1134 VanDerWaalsContact ND2-CG1 3.32Å; N1096-V1134 WeakPolarHBondContact ND2-CG1 3.26Å; N1096-N1138 VanDerWaalsContact CA-ND2 3.32Å; N1096-N1138 WeakPolarHBondContact CA-ND2 3.09Å; N1096-N1138 HydrophobicContact CB-CB 4.44Å; N1096-N1138 WeakPolarHBondContact CB-ND2 3.21Å; N1096-K1196 PolarHBondContact OD1-NZ 3.26Å | ||
| 1097 | E | 46.2 | Very low | 51 | Low | 138.6 Ų | 138.6 | 77.8 Ų | 77.8 | 65% | 0.648 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -7.7 | -174.1 | -61.5 | 175.9 | 162.1 | 0 | 0 | 115.2 | L1095 E1099 E1100 S1198 | L1095-E1097 PolarHBondContact O-N 2.75Å; E1097-E1099 VanDerWaalsContact C-N 3.29Å; E1097-E1099 PolarHBondContact O-N 3.44Å; E1097-E1100 PolarHBondContact O-N 3.27Å; E1097-S1198 WeakPolarHBondContact OE1-CB 3.11Å; E1097-S1198 PolarHBondContact OE1-OG 3.28Å; E1097-S1198 WeakPolarHBondContact OE2-CB 3.37Å |
| 1098 | K | 47.6 | Very low | 49.3 | Very low | 176.8 Ų | 176.8 | 75.4 Ų | 75.4 | 77% | 0.769 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 3.5 | -176.8 | -68.9 | -171.5 | 177.4 | -178.6 | 0 | 115.2 | N1096 E1100 | N1096-K1098 CarbonylContact O-C 3.54Å; N1096-K1098 PolarHBondContact O-N 2.99Å; N1096-K1098 VanDerWaalsContact O-N 3.11Å; K1098-E1100 VanDerWaalsContact C-N 3.32Å; K1098-E1100 HydrophobicContact CB-CG 3.81Å; K1098-E1100 WeakPolarHBondContact CB-OE1 3.25Å; K1098-E1100 WeakPolarHBondContact CD-OE1 3.09Å; K1098-E1100 PolarHBondContact O-N 3.17Å |
| 1099 | E | 45.8 | Very low | 47.7 | Very low | 101.6 Ų | 101.6 | 81.1 Ų | 81.1 | 48% | 0.475 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -109.4 | 47.2 | -179.9 | -61 | -163.4 | 157.7 | 0 | 0 | 114 | V1094 L1095 N1096 E1097 Y1101 F1102 R1137 K1196 | V1094-E1099 HydrophobicContact CG1-CB 4.28Å; V1094-E1099 HydrophobicContact CG1-CG 4.16Å; L1095-E1099 HydrophobicContact CB-CB 4.38Å; N1096-E1099 HydrophobicContact CB-CG 4.26Å; N1096-E1099 WeakPolarHBondContact O-CA 3.46Å; N1096-E1099 VanDerWaalsContact O-CB 3.29Å; N1096-E1099 WeakPolarHBondContact O-CB 3.44Å; N1096-E1099 WeakPolarHBondContact O-CG 3.3Å; N1096-E1099 PolarHBondContact O-N 3.05Å; N1096-E1099 VanDerWaalsContact O-N 3.13Å; N1096-E1099 WeakPolarHBondContact OD1-CA 3.3Å; N1096-E1099 PolarHBondContact OD1-N 3.13Å; E1097-E1099 VanDerWaalsContact C-N 3.29Å; E1097-E1099 PolarHBondContact O-N 3.44Å; E1099-Y1101 VanDerWaalsContact C-N 3.31Å; E1099-Y1101 PolarHBondContact O-N 3.15Å; E1099-F1102 HydrophobicContact CB-CE2 4.11Å; E1099-F1102 HydrophobicContact CB-CZ 3.72Å; E1099-F1102 HydrophobicContact CG-CE1 4.48Å; E1099-F1102 HydrophobicContact CG-CZ 4.16Å; E1099-F1102 WeakPolarHBondContact O-CE2 3.3Å; E1099-R1137 HydrophobicContact CG-CG 4.17Å; E1099-R1137 WeakPolarHBondContact OE1-CA 3.44Å; E1099-R1137 WeakPolarHBondContact OE1-CB 3.47Å; E1099-R1137 VanDerWaalsContact OE1-CD 3.28Å; E1099-R1137 WeakPolarHBondContact OE1-CD 3.49Å; E1099-R1137 WeakPolarHBondContact OE1-CG 3.5Å; E1099-R1137 IonicContact OE1-NE 3.58Å; E1099-K1196 WeakPolarHBondContact O-CD 3.37Å; E1099-K1196 IonicContact OE2-NZ 3.76Å; E1099-K1196 PolarHBondContact OE2-NZ 3.26Å |
| 1100 | E | 46.6 | Very low | 46.6 | Very low | 41.8 Ų | 41.8 | 82.6 Ų | 82.6 | 20% | 0.195 | 44% | 0.438 | C | S | . | . | trans | -90 | 20.9 | -178.8 | -65.8 | 174 | 179.5 | 0 | 0 | 112.4 | N1096 E1097 K1098 F1102 N1138 K1196 Q1197 S1198 K1200 | N1096-E1100 WeakPolarHBondContact ND2-CB 3.32Å; N1096-E1100 VanDerWaalsContact ND2-CD 3.26Å; N1096-E1100 VanDerWaalsContact ND2-CG 3.25Å; N1096-E1100 WeakPolarHBondContact ND2-CG 3.35Å; N1096-E1100 PolarHBondContact ND2-N 3.15Å; N1096-E1100 PolarHBondContact ND2-OE2 3.11Å; N1096-E1100 VanDerWaalsContact ND2-OE2 3.07Å; N1096-E1100 WeakPolarHBondContact OD1-CB 3.34Å; N1096-E1100 PolarHBondContact OD1-N 3.03Å; E1097-E1100 PolarHBondContact O-N 3.27Å; K1098-E1100 VanDerWaalsContact C-N 3.32Å; K1098-E1100 HydrophobicContact CB-CG 3.81Å; K1098-E1100 WeakPolarHBondContact CB-OE1 3.25Å; K1098-E1100 WeakPolarHBondContact CD-OE1 3.09Å; K1098-E1100 PolarHBondContact O-N 3.17Å; E1100-F1102 HydrophobicContact CB-CD2 4.03Å; E1100-F1102 HydrophobicContact CB-CE2 3.84Å; E1100-F1102 HydrophobicContact CG-CE2 4.49Å; E1100-F1102 PolarHBondContact O-N 3.14Å; E1100-F1102 WeakPolarHBondContact OE2-CE2 3.41Å; E1100-N1138 HydrophobicContact CG-CB 4.18Å; E1100-N1138 PolarHBondContact OE1-ND2 3.15Å; E1100-N1138 VanDerWaalsContact OE1-ND2 3.07Å; E1100-K1196 WeakPolarHBondContact O-CA 3.38Å; E1100-K1196 WeakPolarHBondContact O-CB 3.09Å; E1100-K1196 PolarHBondContact O-N 3.08Å; E1100-Q1197 HydrophobicContact CB-CB 3.79Å; E1100-Q1197 VanDerWaalsContact CD-NE2 3.32Å; E1100-Q1197 HydrophobicContact CG-CB 3.91Å; E1100-Q1197 HydrophobicContact CG-CG 4.1Å; E1100-Q1197 VanDerWaalsContact CG-NE2 3.31Å; E1100-Q1197 VanDerWaalsContact OE1-CD 3.29Å; E1100-Q1197 PolarHBondContact OE1-NE2 3.2Å; E1100-Q1197 PolarHBondContact OE1-OE1 3.18Å; E1100-Q1197 PolarHBondContact OE2-NE2 2.96Å; E1100-S1198 VanDerWaalsContact CG-CB 3.46Å; E1100-S1198 WeakPolarHBondContact OE1-CB 3.27Å; E1100-S1198 WeakPolarHBondContact OE2-CB 3.37Å; E1100-S1198 PolarHBondContact OE2-OG 2.93Å; E1100-K1200 WeakPolarHBondContact OE1-CE 3.48Å; E1100-K1200 IonicContact OE1-NZ 3.47Å; E1100-K1200 PolarHBondContact OE1-NZ 3.26Å; E1100-K1200 VanDerWaalsContact OE2-CE 3.31Å; E1100-K1200 WeakPolarHBondContact OE2-CE 3.38Å; E1100-K1200 IonicContact OE2-NZ 2.74Å | ||
| 1101 | Y | 45.5 | Very low | 45.8 | Very low | 55.2 Ų | 55.2 | 84.9 Ų | 84.9 | 22% | 0.216 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 112.1 | 176.5 | -62.7 | -76.2 | 0 | 0 | 0 | 112 | L1020 V1094 L1095 N1096 E1099 V1103 F1140 L1142 V1193 F1194 I1195 K1200 | L1020-Y1101 HydrophobicContact CD1-CD1 4.14Å; L1020-Y1101 HydrophobicContact CD1-CE1 3.57Å; L1020-Y1101 HydrophobicContact CD1-CE2 4.22Å; V1094-Y1101 WeakPolarHBondContact CA-O 3.21Å; L1095-Y1101 WeakPolarHBondContact CB-O 3.47Å; L1095-Y1101 HydrophobicContact CD1-CG 4.3Å; L1095-Y1101 PolarHBondContact N-O 3.07Å; N1096-Y1101 PolarHBondContact OD1-N 2.98Å; E1099-Y1101 VanDerWaalsContact C-N 3.31Å; E1099-Y1101 PolarHBondContact O-N 3.15Å; Y1101-V1103 PolarHBondContact O-N 2.9Å; Y1101-V1103 VanDerWaalsContact O-N 3.09Å; Y1101-F1140 HydrophobicContact CD1-CE1 4.39Å; Y1101-F1140 HydrophobicContact CD2-CD1 4.28Å; Y1101-F1140 HydrophobicContact CE1-CE1 4.44Å; Y1101-F1140 HydrophobicContact CE2-CD1 4.39Å; Y1101-F1140 HydrophobicContact CG-CD1 4.41Å; Y1101-F1140 HydrophobicContact CG-CE1 4.37Å; Y1101-L1142 HydrophobicContact CE1-CD1 4.2Å; Y1101-V1193 HydrophobicContact CD1-CG1 4.01Å; Y1101-V1193 HydrophobicContact CG-CG1 4.42Å; Y1101-F1194 VanDerWaalsContact CA-O 3.3Å; Y1101-F1194 WeakPolarHBondContact CA-O 3.28Å; Y1101-I1195 HydrophobicContact CD1-CB 4.11Å; Y1101-I1195 HydrophobicContact CD1-CG1 3.93Å; Y1101-I1195 HydrophobicContact CD1-CG2 4.25Å; Y1101-I1195 HydrophobicContact CE1-CB 4.26Å; Y1101-I1195 HydrophobicContact CE1-CD1 4.08Å; Y1101-I1195 HydrophobicContact CE1-CG1 3.8Å; Y1101-I1195 HydrophobicContact CE1-CG2 3.77Å; Y1101-I1195 VanDerWaalsContact CE1-CG2 3.46Å; Y1101-K1200 HydrophobicContact CE2-CD 3.61Å; Y1101-K1200 HydrophobicContact CE2-CG 4.36Å; Y1101-K1200 WeakPolarHBondContact OH-CB 3.37Å; Y1101-K1200 WeakPolarHBondContact OH-CD 3.32Å |
| 1102 | F | 44.5 | Very low | 44.7 | Very low | 72.6 Ų | 72.6 | 80.2 Ų | 80.2 | 32% | 0.318 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 106.3 | 168 | -76.8 | -90.5 | 0 | 0 | 0 | 109.9 | H1093 V1094 E1099 E1100 Y1104 V1193 F1194 K1196 | H1093-F1102 CarbonylContact O-C 3.59Å; H1093-F1102 WeakPolarHBondContact O-CA 3.44Å; V1094-F1102 HydrophobicContact CB-CE1 4.5Å; V1094-F1102 HydrophobicContact CG1-CD1 4.37Å; V1094-F1102 HydrophobicContact CG1-CE1 4.09Å; V1094-F1102 HydrophobicContact CG1-CZ 4.3Å; V1094-F1102 HydrophobicContact CG2-CD1 3.97Å; V1094-F1102 HydrophobicContact CG2-CE1 3.84Å; V1094-F1102 VanDerWaalsContact CG2-CE1 3.42Å; V1094-F1102 HydrophobicContact CG2-CZ 4.21Å; E1099-F1102 HydrophobicContact CB-CE2 4.11Å; E1099-F1102 HydrophobicContact CB-CZ 3.72Å; E1099-F1102 HydrophobicContact CG-CE1 4.48Å; E1099-F1102 HydrophobicContact CG-CZ 4.16Å; E1099-F1102 WeakPolarHBondContact O-CE2 3.3Å; E1100-F1102 HydrophobicContact CB-CD2 4.03Å; E1100-F1102 HydrophobicContact CB-CE2 3.84Å; E1100-F1102 HydrophobicContact CG-CE2 4.49Å; E1100-F1102 PolarHBondContact O-N 3.14Å; E1100-F1102 WeakPolarHBondContact OE2-CE2 3.41Å; F1102-Y1104 VanDerWaalsContact C-N 3.28Å; F1102-Y1104 HydrophobicContact CB-CD2 4.27Å; F1102-Y1104 HydrophobicContact CB-CE2 3.62Å; F1102-Y1104 HydrophobicContact CD1-CD2 4.21Å; F1102-Y1104 HydrophobicContact CD1-CE1 4.02Å; F1102-Y1104 AromaticContact CD1-CE2 3.33Å; F1102-Y1104 HydrophobicContact CD1-CE2 3.86Å; F1102-Y1104 AromaticContact CD1-CZ 3.31Å; F1102-Y1104 WeakPolarHBondContact CD1-OH 3.41Å; F1102-Y1104 HydrophobicContact CE1-CE1 4.21Å; F1102-Y1104 HydrophobicContact CE1-CE2 4.12Å; F1102-Y1104 AromaticContact CE1-CZ 3.62Å; F1102-Y1104 VanDerWaalsContact CE1-OH 3.28Å; F1102-Y1104 WeakPolarHBondContact CE1-OH 3.16Å; F1102-Y1104 HydrophobicContact CG-CD2 4.38Å; F1102-Y1104 AromaticContact CG-CE2 3.65Å; F1102-Y1104 HydrophobicContact CG-CE2 3.65Å; F1102-Y1104 WeakPolarHBondContact O-CD2 3.36Å; F1102-Y1104 PolarHBondContact O-N 3.04Å; F1102-Y1104 VanDerWaalsContact O-N 3.16Å; F1102-V1193 CarbonylContact O-C 3.53Å; F1102-V1193 VanDerWaalsContact O-CA 3.31Å; F1102-V1193 WeakPolarHBondContact O-CA 3.44Å; F1102-F1194 HydrophobicContact CB-CB 4.34Å; F1102-F1194 HydrophobicContact CD2-CD1 4.33Å; F1102-F1194 PolarHBondContact N-O 2.81Å; F1102-F1194 PolarHBondContact O-N 2.9Å; F1102-K1196 HydrophobicContact CD2-CB 4.34Å; F1102-K1196 HydrophobicContact CD2-CD 4.06Å; F1102-K1196 HydrophobicContact CD2-CG 4.43Å; F1102-K1196 HydrophobicContact CE2-CB 4Å; F1102-K1196 HydrophobicContact CE2-CD 3.68Å; F1102-K1196 VanDerWaalsContact CE2-CD 3.46Å; F1102-K1196 HydrophobicContact CE2-CG 4.28Å; F1102-K1196 HydrophobicContact CZ-CD 4.03Å; F1102-K1196 VanDerWaalsContact CZ-NZ 3.25Å |
| 1103 | V | 44.8 | Very low | 43.4 | Very low | 23 Ų | 23 | 86.4 Ų | 86.4 | 14% | 0.139 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.1 | 168.5 | -176 | 0 | 0 | 0 | 0 | 108.2 | P1019 L1085 P1092 H1093 L1095 Y1101 P1105 N1191 W1192 V1193 | P1019-V1103 HydrophobicContact CB-CG1 4.35Å; P1019-V1103 HydrophobicContact CG-CB 4.41Å; P1019-V1103 HydrophobicContact CG-CG1 4.5Å; L1085-V1103 HydrophobicContact CD2-CG1 4.05Å; L1085-V1103 HydrophobicContact CD2-CG2 3.98Å; P1092-V1103 CarbonylContact C-O 3.5Å; P1092-V1103 WeakPolarHBondContact CA-O 3.35Å; P1092-V1103 WeakPolarHBondContact CB-O 3.41Å; H1093-V1103 HydrophobicContact CB-CB 3.83Å; H1093-V1103 HydrophobicContact CB-CG1 4.5Å; H1093-V1103 HydrophobicContact CB-CG2 4.1Å; H1093-V1103 PolarHBondContact N-O 3.11Å; H1093-V1103 VanDerWaalsContact N-O 3.11Å; H1093-V1103 WeakPolarHBondContact O-CB 3.19Å; H1093-V1103 PolarHBondContact O-N 3.09Å; L1095-V1103 HydrophobicContact CD1-CG2 3.8Å; L1095-V1103 HydrophobicContact CD2-CG2 3.58Å; L1095-V1103 HydrophobicContact CG-CG2 3.86Å; Y1101-V1103 PolarHBondContact O-N 2.9Å; Y1101-V1103 VanDerWaalsContact O-N 3.09Å; V1103-P1105 VanDerWaalsContact C-CD 3.42Å; V1103-P1105 WeakPolarHBondContact O-CD 3.42Å; V1103-N1191 HydrophobicContact CG1-CB 4.3Å; V1103-W1192 CarbonylContact C-O 3.6Å; V1103-W1192 WeakPolarHBondContact CA-O 3.38Å; V1103-W1192 WeakPolarHBondContact CG1-O 3.45Å; V1103-V1193 HydrophobicContact CB-CG2 4.3Å; V1103-V1193 HydrophobicContact CG1-CG2 4.09Å; V1103-V1193 HydrophobicContact CG2-CB 4.48Å; V1103-V1193 HydrophobicContact CG2-CG1 4.14Å; V1103-V1193 HydrophobicContact CG2-CG2 4.02Å |
| 1104 | Y | 46.4 | Very low | 41.9 | Very low | 78 Ų | 78 | 93.4 Ų | 93.4 | 31% | 0.306 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124 | 172.1 | -76 | -87.8 | 0 | 0 | 0 | 110.3 | P1092 F1102 S1106 P1112 F1114 W1192 F1194 T1615 | P1092-Y1104 HydrophobicContact CB-CD1 3.83Å; P1092-Y1104 HydrophobicContact CB-CE1 3.92Å; P1092-Y1104 HydrophobicContact CB-CG 4.27Å; P1092-Y1104 HydrophobicContact CG-CD1 4.4Å; F1102-Y1104 VanDerWaalsContact C-N 3.28Å; F1102-Y1104 HydrophobicContact CB-CD2 4.27Å; F1102-Y1104 HydrophobicContact CB-CE2 3.62Å; F1102-Y1104 HydrophobicContact CD1-CD2 4.21Å; F1102-Y1104 HydrophobicContact CD1-CE1 4.02Å; F1102-Y1104 AromaticContact CD1-CE2 3.33Å; F1102-Y1104 HydrophobicContact CD1-CE2 3.86Å; F1102-Y1104 AromaticContact CD1-CZ 3.31Å; F1102-Y1104 WeakPolarHBondContact CD1-OH 3.41Å; F1102-Y1104 HydrophobicContact CE1-CE1 4.21Å; F1102-Y1104 HydrophobicContact CE1-CE2 4.12Å; F1102-Y1104 AromaticContact CE1-CZ 3.62Å; F1102-Y1104 VanDerWaalsContact CE1-OH 3.28Å; F1102-Y1104 WeakPolarHBondContact CE1-OH 3.16Å; F1102-Y1104 HydrophobicContact CG-CD2 4.38Å; F1102-Y1104 AromaticContact CG-CE2 3.65Å; F1102-Y1104 HydrophobicContact CG-CE2 3.65Å; F1102-Y1104 WeakPolarHBondContact O-CD2 3.36Å; F1102-Y1104 PolarHBondContact O-N 3.04Å; F1102-Y1104 VanDerWaalsContact O-N 3.16Å; Y1104-S1106 PolarHBondContact O-N 3.43Å; Y1104-P1112 HydrophobicContact CE1-CG 4.15Å; Y1104-F1114 HydrophobicContact CE1-CZ 4.38Å; Y1104-F1114 WeakPolarHBondContact OH-CE2 3.06Å; Y1104-F1114 WeakPolarHBondContact OH-CZ 3.36Å; Y1104-W1192 VanDerWaalsContact CB-CZ2 3.46Å; Y1104-W1192 HydrophobicContact CD1-CH2 4.31Å; Y1104-W1192 HydrophobicContact CD1-CZ2 4.29Å; Y1104-W1192 HydrophobicContact CD2-CD2 4.23Å; Y1104-W1192 AromaticContact CD2-CE3 3.82Å; Y1104-W1192 HydrophobicContact CD2-CE3 3.91Å; Y1104-W1192 AromaticContact CD2-CH2 3.34Å; Y1104-W1192 HydrophobicContact CD2-CH2 3.34Å; Y1104-W1192 AromaticContact CD2-CZ2 3.81Å; Y1104-W1192 HydrophobicContact CD2-CZ2 3.81Å; Y1104-W1192 AromaticContact CD2-CZ3 3.4Å; Y1104-W1192 HydrophobicContact CD2-CZ3 3.4Å; Y1104-W1192 VanDerWaalsContact CD2-CZ3 3.45Å; Y1104-W1192 AromaticContact CE2-CH2 3.84Å; Y1104-W1192 HydrophobicContact CE2-CH2 3.91Å; Y1104-W1192 AromaticContact CE2-CZ3 3.81Å; Y1104-W1192 HydrophobicContact CE2-CZ3 3.96Å; Y1104-W1192 HydrophobicContact CG-CD2 4.39Å; Y1104-W1192 AromaticContact CG-CE2 3.91Å; Y1104-W1192 HydrophobicContact CG-CE3 4.4Å; Y1104-W1192 AromaticContact CG-CH2 3.58Å; Y1104-W1192 HydrophobicContact CG-CH2 3.58Å; Y1104-W1192 VanDerWaalsContact CG-CH2 3.49Å; Y1104-W1192 AromaticContact CG-CZ2 3.57Å; Y1104-W1192 HydrophobicContact CG-CZ2 3.57Å; Y1104-W1192 VanDerWaalsContact CG-CZ2 3.45Å; Y1104-W1192 AromaticContact CG-CZ3 3.98Å; Y1104-W1192 HydrophobicContact CG-CZ3 4.07Å; Y1104-W1192 PolarHBondContact N-O 3.17Å; Y1104-W1192 PolarHBondContact O-N 2.91Å; Y1104-F1194 HydrophobicContact CE2-CB 4.12Å; Y1104-T1615 PolarHBondContact OH-OG1 3.43Å |
| 1105 | P | 43.9 | Very low | 40.4 | Very low | 37.8 Ų | 37.8 | 102.5 Ų | 102.5 | 25% | 0.245 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 127.6 | 172.5 | 31 | -32.1 | 0 | 0 | 0 | 111.2 | P1019 T1089 P1092 V1103 C1107 A1108 K1131 N1191 | P1019-P1105 HydrophobicContact CG-CG 4.2Å; T1089-P1105 WeakPolarHBondContact O-CB 3.37Å; P1092-P1105 VanDerWaalsContact CA-CD 3.44Å; V1103-P1105 VanDerWaalsContact C-CD 3.42Å; V1103-P1105 WeakPolarHBondContact O-CD 3.42Å; P1105-C1107 PolarHBondContact O-N 3.17Å; P1105-C1107 VanDerWaalsContact O-N 3.09Å; P1105-A1108 HydrophobicContact CG-CB 4.5Å; P1105-A1108 WeakPolarHBondContact O-CB 3.4Å; P1105-A1108 PolarHBondContact O-N 3.18Å; P1105-A1108 VanDerWaalsContact O-N 3.08Å; P1105-K1131 HydrophobicContact CB-CB 4.28Å; P1105-K1131 HydrophobicContact CB-CD 3.51Å; P1105-K1131 HydrophobicContact CB-CG 3.5Å; P1105-K1131 VanDerWaalsContact CB-CG 3.5Å; P1105-K1131 HydrophobicContact CG-CB 4.04Å; P1105-K1131 HydrophobicContact CG-CD 3.68Å; P1105-K1131 HydrophobicContact CG-CG 3.77Å; P1105-K1131 PolarHBondContact O-NZ 3.04Å; P1105-N1191 VanDerWaalsContact CA-OD1 3.28Å; P1105-N1191 WeakPolarHBondContact CA-OD1 3.37Å |
| 1106 | S | 42.7 | Very low | 38.9 | Very low | 47.2 Ų | 47.2 | 107.4 Ų | 107.4 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | 69.4 | 164.9 | -158.8 | 0 | 0 | 0 | 0 | 113.3 | Y1104 A1108 K1131 A1186 H1189 T1190 | Y1104-S1106 PolarHBondContact O-N 3.43Å; S1106-A1108 VanDerWaalsContact C-N 3.3Å; S1106-A1108 PolarHBondContact O-N 3.17Å; S1106-A1108 VanDerWaalsContact O-N 3.12Å; S1106-K1131 PolarHBondContact OG-NZ 3.26Å; S1106-A1186 WeakPolarHBondContact CB-O 3.38Å; S1106-A1186 PolarHBondContact OG-O 3.23Å; S1106-H1189 VanDerWaalsContact CB-O 3.31Å; S1106-H1189 WeakPolarHBondContact CB-O 3.36Å; S1106-H1189 PolarHBondContact OG-O 2.86Å; S1106-T1190 WeakPolarHBondContact CB-O 3.4Å; S1106-T1190 PolarHBondContact N-O 3.22Å |
| 1107 | C | 37.5 | Very low | 37.7 | Very low | 116.2 Ų | 116.2 | 110.5 Ų | 110.5 | 79% | 0.785 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 71.3 | 166.7 | -92.2 | 0 | 0 | 0 | 0 | 112.7 | P1105 E1109 | P1105-C1107 PolarHBondContact O-N 3.17Å; P1105-C1107 VanDerWaalsContact O-N 3.09Å; C1107-E1109 PolarHBondContact O-N 3.27Å |
| 1108 | A | 37.5 | Very low | 36.7 | Very low | 67.6 Ų | 67.6 | 112.6 Ų | 112.6 | 56% | 0.559 | 58% | 0.578 | S | S | * | * | trans | -92.4 | 115.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1105 S1106 T1110 | P1105-A1108 HydrophobicContact CG-CB 4.5Å; P1105-A1108 WeakPolarHBondContact O-CB 3.4Å; P1105-A1108 PolarHBondContact O-N 3.18Å; P1105-A1108 VanDerWaalsContact O-N 3.08Å; S1106-A1108 VanDerWaalsContact C-N 3.3Å; S1106-A1108 PolarHBondContact O-N 3.17Å; S1106-A1108 VanDerWaalsContact O-N 3.12Å; A1108-T1110 VanDerWaalsContact C-N 3.26Å; A1108-T1110 PolarHBondContact O-N 3.18Å; A1108-T1110 VanDerWaalsContact O-N 3.14Å | ||
| 1109 | E | 33.2 | Very low | 35.8 | Very low | 170.2 Ų | 170.2 | 112.5 Ų | 112.5 | 80% | 0.795 | 58% | 0.58 | S | S | * | * | trans | -40.5 | 62.7 | 171.2 | -65.5 | -171.7 | 162.6 | 0 | 0 | 116 | C1107 L1111 | C1107-E1109 PolarHBondContact O-N 3.27Å; E1109-L1111 PolarHBondContact O-N 3.26Å | ||
| 1110 | T | 33 | Very low | 34.9 | Very low | 130.8 Ų | 130.8 | 115.4 Ų | 115.4 | 80% | 0.802 | 60% | 0.599 | S | S | * | * | trans | -142.3 | 106.1 | 155.5 | 44.8 | 0 | 0 | 0 | 0 | 115.1 | A1108 P1112 | A1108-T1110 VanDerWaalsContact C-N 3.26Å; A1108-T1110 PolarHBondContact O-N 3.18Å; A1108-T1110 VanDerWaalsContact O-N 3.14Å; T1110-P1112 WeakPolarHBondContact O-CD 3.23Å | ||
| 1111 | L | 33.1 | Very low | 34 | Very low | 133.4 Ų | 133.4 | 122 Ų | 122 | 70% | 0.698 | 63% | 0.63 | S | S | * | * | trans | -82.2 | 132.1 | 158.2 | -104.4 | 125.3 | 0 | 0 | 0 | 109.3 | E1109 Q1113 H1182 W1192 | E1109-L1111 PolarHBondContact O-N 3.26Å; L1111-Q1113 PolarHBondContact O-N 3.05Å; L1111-H1182 HydrophobicContact CD1-CB 4.35Å; L1111-W1192 HydrophobicContact CG-CH2 4.08Å | ||
| 1112 | P | 30.5 | Very low | 33.1 | Very low | 82.2 Ų | 82.2 | 129.1 Ų | 129.1 | 53% | 0.534 | 66% | 0.662 | S | S | . | * | trans | -71.8 | 135.9 | -174.3 | 11.5 | -8.8 | 0 | 0 | 0 | 111.9 | Y1104 T1110 F1114 | Y1104-P1112 HydrophobicContact CE1-CG 4.15Å; T1110-P1112 WeakPolarHBondContact O-CD 3.23Å; P1112-F1114 HydrophobicContact CB-CD2 3.7Å; P1112-F1114 HydrophobicContact CB-CE1 4.45Å; P1112-F1114 HydrophobicContact CB-CE2 3.49Å; P1112-F1114 VanDerWaalsContact CB-CE2 3.47Å; P1112-F1114 HydrophobicContact CB-CG 4.45Å; P1112-F1114 HydrophobicContact CB-CZ 3.81Å; P1112-F1114 HydrophobicContact CG-CD2 4.1Å; P1112-F1114 HydrophobicContact CG-CE2 3.76Å; P1112-F1114 VanDerWaalsContact CG-CE2 3.49Å; P1112-F1114 HydrophobicContact CG-CZ 3.77Å; P1112-F1114 WeakPolarHBondContact O-CD2 3.23Å; P1112-F1114 PolarHBondContact O-N 3.05Å; P1112-F1114 VanDerWaalsContact O-N 3.12Å | ||
| 1113 | Q | 28.4 | Very low | 32.3 | Very low | 193.2 Ų | 193.2 | 129.1 Ų | 129.1 | 90% | 0.903 | 68% | 0.683 | S | S | * | * | trans | -65 | 96.3 | 172.2 | -71.1 | 179.9 | -9.7 | 0 | 0 | 110.8 | L1111 R1115 | L1111-Q1113 PolarHBondContact O-N 3.05Å; Q1113-R1115 PolarHBondContact O-N 2.97Å | ||
| 1114 | F | 28.4 | Very low | 31.6 | Very low | 179.2 Ų | 179.2 | 138.4 Ų | 138.4 | 79% | 0.786 | 72% | 0.717 | S | S | * | * | trans | -84.8 | 116.3 | 166.1 | -86.2 | -79.9 | 0 | 0 | 0 | 110.7 | Y1104 P1112 C1116 | Y1104-F1114 HydrophobicContact CE1-CZ 4.38Å; Y1104-F1114 WeakPolarHBondContact OH-CE2 3.06Å; Y1104-F1114 WeakPolarHBondContact OH-CZ 3.36Å; P1112-F1114 HydrophobicContact CB-CD2 3.7Å; P1112-F1114 HydrophobicContact CB-CE1 4.45Å; P1112-F1114 HydrophobicContact CB-CE2 3.49Å; P1112-F1114 VanDerWaalsContact CB-CE2 3.47Å; P1112-F1114 HydrophobicContact CB-CG 4.45Å; P1112-F1114 HydrophobicContact CB-CZ 3.81Å; P1112-F1114 HydrophobicContact CG-CD2 4.1Å; P1112-F1114 HydrophobicContact CG-CE2 3.76Å; P1112-F1114 VanDerWaalsContact CG-CE2 3.49Å; P1112-F1114 HydrophobicContact CG-CZ 3.77Å; P1112-F1114 WeakPolarHBondContact O-CD2 3.23Å; P1112-F1114 PolarHBondContact O-N 3.05Å; P1112-F1114 VanDerWaalsContact O-N 3.12Å; F1114-C1116 PolarHBondContact O-N 3.11Å; F1114-C1116 VanDerWaalsContact O-N 3.13Å | ||
| 1115 | R | 23.8 | Very low | 30.8 | Very low | 233.4 Ų | 233.4 | 138.1 Ų | 138.1 | 88% | 0.881 | 74% | 0.737 | S | S | * | * | trans | -69.9 | 111.5 | 165.6 | -74.2 | -179.4 | 176.7 | 176.8 | -1.2 | 109.1 | Q1113 V1117 | Q1113-R1115 PolarHBondContact O-N 2.97Å; R1115-V1117 PolarHBondContact O-N 3.06Å; R1115-V1117 VanDerWaalsContact O-N 3.16Å | ||
| 1116 | C | 25.9 | Very low | 30.2 | Very low | 117.4 Ų | 117.4 | 142.3 Ų | 142.3 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | trans | -73.9 | 121.1 | 160.3 | -79.7 | 0 | 0 | 0 | 0 | 108.8 | F1114 | F1114-C1116 PolarHBondContact O-N 3.11Å; F1114-C1116 VanDerWaalsContact O-N 3.13Å | ||
| 1117 | V | 26 | Very low | 29.6 | Very low | 124.8 Ų | 124.8 | 142.8 Ų | 142.8 | 76% | 0.756 | 78% | 0.776 | S | S | * | * | trans | -81.3 | 119.4 | 169.2 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | R1115 Q1119 | R1115-V1117 PolarHBondContact O-N 3.06Å; R1115-V1117 VanDerWaalsContact O-N 3.16Å; V1117-Q1119 HydrophobicContact CG1-CG 4.19Å; V1117-Q1119 PolarHBondContact O-N 3.17Å; V1117-Q1119 VanDerWaalsContact O-N 3.07Å | ||
| 1118 | E | 26.4 | Very low | 29.4 | Very low | 183.2 Ų | 183.2 | 140.8 Ų | 140.8 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -64.8 | 105.4 | 170.3 | -67.3 | 179 | 155 | 0 | 0 | 109.6 | N1120 | E1118-N1120 PolarHBondContact O-N 2.82Š| ||
| 1119 | Q | 28.2 | Very low | 29.4 | Very low | 174.2 Ų | 174.2 | 141.1 Ų | 141.1 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | -118.3 | 120 | 156.3 | -69.5 | -162.8 | -4.3 | 0 | 0 | 109.7 | V1117 E1121 | V1117-Q1119 HydrophobicContact CG1-CG 4.19Å; V1117-Q1119 PolarHBondContact O-N 3.17Å; V1117-Q1119 VanDerWaalsContact O-N 3.07Å; Q1119-E1121 VanDerWaalsContact C-N 3.32Å; Q1119-E1121 PolarHBondContact O-N 3.05Å | ||
| 1120 | N | 26 | Very low | 30 | Very low | 161.2 Ų | 161.2 | 136.6 Ų | 136.6 | 86% | 0.862 | 75% | 0.746 | S | S | * | * | trans | -45.1 | 110.2 | 173.1 | -73.8 | -46.5 | 0 | 0 | 0 | 114.4 | E1118 K1122 | E1118-N1120 PolarHBondContact O-N 2.82Å; N1120-K1122 PolarHBondContact O-N 3.2Å | ||
| 1121 | E | 28.1 | Very low | 30.9 | Very low | 182.2 Ų | 182.2 | 136 Ų | 136 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | trans | -124.2 | 120.8 | 150.4 | -88.9 | -174.2 | 173.5 | 0 | 0 | 112.8 | Q1119 G1123 | Q1119-E1121 VanDerWaalsContact C-N 3.32Å; Q1119-E1121 PolarHBondContact O-N 3.05Å; E1121-G1123 PolarHBondContact O-N 3.2Å | ||
| 1122 | K | 27.1 | Very low | 32.3 | Very low | 202.6 Ų | 202.6 | 131.2 Ų | 131.2 | 88% | 0.881 | 71% | 0.709 | S | S | * | * | trans | -58.2 | 98.1 | 169.2 | -70.1 | 176.9 | 177.7 | 175.1 | 0 | 111 | N1120 Y1124 | N1120-K1122 PolarHBondContact O-N 3.2Å; K1122-Y1124 PolarHBondContact O-N 3.19Å | ||
| 1123 | G | 28.1 | Very low | 34 | Very low | 73.4 Ų | 73.4 | 127.7 Ų | 127.7 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | trans | -98.9 | 122.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1121 G1125 | E1121-G1123 PolarHBondContact O-N 3.2Å; G1123-G1125 PolarHBondContact O-N 2.91Å; G1123-G1125 VanDerWaalsContact O-N 3.07Å | ||
| 1124 | Y | 30.1 | Very low | 36 | Very low | 217.4 Ų | 217.4 | 119.7 Ų | 119.7 | 85% | 0.853 | 65% | 0.651 | S | S | * | * | trans | -63 | 126.2 | 171.1 | -85.3 | -99.1 | 0 | 0 | 0 | 110 | K1122 T1126 | K1122-Y1124 PolarHBondContact O-N 3.19Å; Y1124-T1126 PolarHBondContact O-N 2.91Å | ||
| 1125 | G | 28.2 | Very low | 38 | Very low | 72.2 Ų | 72.2 | 112.4 Ų | 112.4 | 74% | 0.744 | 62% | 0.619 | S | S | * | * | trans | -77.1 | 118.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1123 G1127 | G1123-G1125 PolarHBondContact O-N 2.91Å; G1123-G1125 VanDerWaalsContact O-N 3.07Å; G1125-G1127 VanDerWaalsContact C-N 3.32Å; G1125-G1127 PolarHBondContact O-N 3.21Å | ||
| 1126 | T | 31.8 | Very low | 40.4 | Very low | 127.2 Ų | 127.2 | 102.4 Ų | 102.4 | 78% | 0.78 | 58% | 0.583 | S | S | * | * | trans | -74 | 52.8 | 174.8 | 41.9 | 0 | 0 | 0 | 0 | 111.7 | Y1124 A1128 T1130 | Y1124-T1126 PolarHBondContact O-N 2.91Å; T1126-A1128 VanDerWaalsContact C-N 3.32Å; T1126-A1128 PolarHBondContact O-N 2.8Å; T1126-T1130 WeakPolarHBondContact CB-OG1 3.5Å | ||
| 1127 | G | 30.8 | Very low | 42.4 | Very low | 57.8 Ų | 57.8 | 100.6 Ų | 100.6 | 60% | 0.596 | 56% | 0.559 | S | S | * | * | trans | -75 | 101.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1125 V1129 T1130 | G1125-G1127 VanDerWaalsContact C-N 3.32Å; G1125-G1127 PolarHBondContact O-N 3.21Å; G1127-V1129 PolarHBondContact O-N 3.13Å; G1127-T1130 PolarHBondContact O-N 3.46Å; G1127-T1130 PolarHBondContact O-OG1 3.39Å; G1127-T1130 VanDerWaalsContact O-OG1 3.08Å | ||
| 1128 | A | 33.5 | Very low | 44.5 | Very low | 74.2 Ų | 74.2 | 97.2 Ų | 97.2 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -58.4 | 15.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T1126 T1130 | T1126-A1128 VanDerWaalsContact C-N 3.32Å; T1126-A1128 PolarHBondContact O-N 2.8Å; A1128-T1130 VanDerWaalsContact C-N 3.34Å; A1128-T1130 PolarHBondContact O-N 3.17Å; A1128-T1130 VanDerWaalsContact O-N 3.16Å |
| 1129 | V | 37.4 | Very low | 46.9 | Very low | 72.6 Ų | 72.6 | 88.6 Ų | 88.6 | 44% | 0.44 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -67.3 | 9.7 | 175 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | V184 E228 L768 G1127 K1131 C1132 V1133 | V184-V1129 HydrophobicContact CG2-CG2 4.29Å; E228-V1129 WeakPolarHBondContact OE2-CG1 3.39Å; L768-V1129 WeakPolarHBondContact O-CG1 3.38Å; G1127-V1129 PolarHBondContact O-N 3.13Å; V1129-K1131 VanDerWaalsContact C-N 3.27Å; V1129-K1131 PolarHBondContact O-N 2.94Å; V1129-K1131 VanDerWaalsContact O-N 3.11Å; V1129-C1132 PolarHBondContact O-N 3.11Å; V1129-C1132 VanDerWaalsContact O-N 3.16Å; V1129-V1133 WeakPolarHBondContact CG1-O 3.44Å |
| 1130 | T | 44.5 | Very low | 49.2 | Very low | 76.8 Ų | 76.8 | 80.6 Ų | 80.6 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -64.6 | 39.2 | 178 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | T1126 G1127 A1128 C1132 V1133 | T1126-T1130 WeakPolarHBondContact CB-OG1 3.5Å; G1127-T1130 PolarHBondContact O-N 3.46Å; G1127-T1130 PolarHBondContact O-OG1 3.39Å; G1127-T1130 VanDerWaalsContact O-OG1 3.08Å; A1128-T1130 VanDerWaalsContact C-N 3.34Å; A1128-T1130 PolarHBondContact O-N 3.17Å; A1128-T1130 VanDerWaalsContact O-N 3.16Å; T1130-C1132 PolarHBondContact O-N 3.21Å; T1130-V1133 PolarHBondContact O-N 2.73Å |
| 1131 | K | 53.4 | Low | 51.9 | Low | 118.2 Ų | 118.2 | 73.3 Ų | 73.3 | 51% | 0.514 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -75 | 1.3 | -178.8 | -68.1 | -172.8 | 178.8 | -172.8 | 0 | 113.5 | P1053 R1091 P1105 S1106 V1129 | P1053-K1131 PolarHBondContact O-NZ 2.91Å; R1091-K1131 VanDerWaalsContact CD-O 3.32Å; R1091-K1131 WeakPolarHBondContact CD-O 3.42Å; R1091-K1131 PolarHBondContact NH1-O 3.1Å; P1105-K1131 HydrophobicContact CB-CB 4.28Å; P1105-K1131 HydrophobicContact CB-CD 3.51Å; P1105-K1131 HydrophobicContact CB-CG 3.5Å; P1105-K1131 VanDerWaalsContact CB-CG 3.5Å; P1105-K1131 HydrophobicContact CG-CB 4.04Å; P1105-K1131 HydrophobicContact CG-CD 3.68Å; P1105-K1131 HydrophobicContact CG-CG 3.77Å; P1105-K1131 PolarHBondContact O-NZ 3.04Å; S1106-K1131 PolarHBondContact OG-NZ 3.26Å; V1129-K1131 VanDerWaalsContact C-N 3.27Å; V1129-K1131 PolarHBondContact O-N 2.94Å; V1129-K1131 VanDerWaalsContact O-N 3.11Å |
| 1132 | C | 61.6 | Low | 54.4 | Low | 31.4 Ų | 31.4 | 65 Ų | 65 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -88.5 | -6.7 | -178.9 | -73.5 | 0 | 0 | 0 | 0 | 113.5 | F791 R792 R793 V1094 V1129 T1130 | F791-C1132 HydrophobicContact CD1-CB 4.4Å; F791-C1132 HydrophobicContact CD2-CB 4.36Å; F791-C1132 HydrophobicContact CE1-CB 3.8Å; F791-C1132 HydrophobicContact CE2-CB 3.97Å; F791-C1132 HydrophobicContact CZ-CB 3.65Å; R792-C1132 CarbonylContact C-O 3.57Å; R792-C1132 VanDerWaalsContact CA-O 3.27Å; R792-C1132 WeakPolarHBondContact CA-O 3.35Å; R793-C1132 PolarHBondContact N-O 2.96Å; V1094-C1132 PolarHBondContact N-SG 2.94Å; V1094-C1132 VanDerWaalsContact N-SG 3.44Å; V1129-C1132 PolarHBondContact O-N 3.11Å; V1129-C1132 VanDerWaalsContact O-N 3.16Å; T1130-C1132 PolarHBondContact O-N 3.21Å |
| 1133 | V | 66.4 | Low | 57 | Low | 9.2 Ų | 9.2 | 56.4 Ų | 56.4 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124 | -179.3 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | L768 R793 E1088 V1129 T1130 F1135 | L768-V1133 HydrophobicContact CD2-CB 4.26Å; L768-V1133 HydrophobicContact CD2-CG1 4.41Å; L768-V1133 HydrophobicContact CD2-CG2 4.45Å; R793-V1133 HydrophobicContact CB-CG1 4.28Å; R793-V1133 HydrophobicContact CB-CG2 4.23Å; R793-V1133 HydrophobicContact CG-CG1 4.26Å; R793-V1133 CarbonylContact O-C 3.48Å; R793-V1133 VanDerWaalsContact O-CA 3.31Å; R793-V1133 WeakPolarHBondContact O-CA 3.31Å; E1088-V1133 WeakPolarHBondContact OE2-CG2 3.48Å; V1129-V1133 WeakPolarHBondContact CG1-O 3.44Å; T1130-V1133 PolarHBondContact O-N 2.73Å; V1133-F1135 HydrophobicContact CB-CE2 4.27Å; V1133-F1135 HydrophobicContact CG1-CD2 4.16Å; V1133-F1135 HydrophobicContact CG1-CE1 4.37Å; V1133-F1135 HydrophobicContact CG1-CE2 3.61Å; V1133-F1135 VanDerWaalsContact CG1-CE2 3.49Å; V1133-F1135 HydrophobicContact CG1-CZ 3.82Å |
| 1134 | V | 70.6 | Confident | 59.5 | Low | 24.6 Ų | 24.6 | 54.2 Ų | 54.2 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.1 | 179.7 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | R793 F794 W795 P1019 Y1066 N1096 | R793-V1134 PolarHBondContact O-N 2.85Å; F794-V1134 WeakPolarHBondContact CA-O 3.44Å; F794-V1134 HydrophobicContact CD1-CB 3.81Å; F794-V1134 HydrophobicContact CD1-CG1 4.44Å; F794-V1134 HydrophobicContact CD1-CG2 4.09Å; F794-V1134 HydrophobicContact CE1-CB 4.25Å; F794-V1134 HydrophobicContact CE1-CG2 4.01Å; W795-V1134 PolarHBondContact N-O 3.15Å; P1019-V1134 HydrophobicContact CB-CG1 4.38Å; Y1066-V1134 HydrophobicContact CE2-CG1 4.47Å; N1096-V1134 VanDerWaalsContact ND2-CG1 3.32Å; N1096-V1134 WeakPolarHBondContact ND2-CG1 3.26Å |
| 1135 | F | 70.3 | Confident | 62.1 | Low | 26.8 Ų | 26.8 | 43.9 Ų | 43.9 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.2 | 175.9 | -65.3 | -92.4 | 0 | 0 | 0 | 110.4 | P767 L768 W795 F869 I873 Q1081 A1084 L1085 H1093 L1095 V1133 R1137 | P767-F1135 HydrophobicContact CB-CZ 4.34Å; L768-F1135 HydrophobicContact CD2-CD2 4.47Å; L768-F1135 HydrophobicContact CD2-CE2 3.6Å; L768-F1135 VanDerWaalsContact CD2-CE2 3.4Å; L768-F1135 HydrophobicContact CD2-CZ 3.81Å; L768-F1135 HydrophobicContact CG-CZ 4.39Å; W795-F1135 HydrophobicContact CB-CD1 3.61Å; W795-F1135 HydrophobicContact CB-CE1 3.98Å; W795-F1135 HydrophobicContact CB-CG 4.3Å; W795-F1135 AromaticContact CD1-CD1 3.91Å; W795-F1135 AromaticContact CD1-CE1 3.5Å; W795-F1135 VanDerWaalsContact CD1-CE1 3.4Å; W795-F1135 AromaticContact CD1-CZ 3.78Å; W795-F1135 HydrophobicContact CD2-CD1 4.47Å; W795-F1135 HydrophobicContact CD2-CE1 4.1Å; W795-F1135 AromaticContact CG-CD1 3.77Å; W795-F1135 HydrophobicContact CG-CD1 3.77Å; W795-F1135 AromaticContact CG-CE1 3.59Å; W795-F1135 HydrophobicContact CG-CE1 3.59Å; W795-F1135 HydrophobicContact CG-CZ 4.33Å; W795-F1135 AromaticContact NE1-CE1 3.92Å; W795-F1135 AromaticContact NE1-CZ 3.77Å; F869-F1135 HydrophobicContact CE1-CE1 4.25Å; F869-F1135 HydrophobicContact CZ-CE1 4.39Å; I873-F1135 HydrophobicContact CD1-CD1 4.19Å; I873-F1135 HydrophobicContact CD1-CE1 3.46Å; I873-F1135 VanDerWaalsContact CD1-CE1 3.46Å; I873-F1135 HydrophobicContact CD1-CE2 4.5Å; I873-F1135 HydrophobicContact CD1-CZ 3.74Å; I873-F1135 HydrophobicContact CG1-CZ 4.39Å; I873-F1135 HydrophobicContact CG2-CE2 4.31Å; I873-F1135 HydrophobicContact CG2-CZ 4.4Å; Q1081-F1135 HydrophobicContact CB-CD1 4.48Å; Q1081-F1135 HydrophobicContact CG-CD1 4.19Å; A1084-F1135 HydrophobicContact CB-CE1 4.46Å; L1085-F1135 HydrophobicContact CD2-CE2 3.64Å; L1085-F1135 HydrophobicContact CD2-CZ 3.53Å; L1085-F1135 HydrophobicContact CG-CE2 4.42Å; L1085-F1135 HydrophobicContact CG-CZ 3.96Å; H1093-F1135 HydrophobicContact CB-CE2 4.17Å; L1095-F1135 HydrophobicContact CD2-CB 3.51Å; L1095-F1135 HydrophobicContact CD2-CD2 3.5Å; L1095-F1135 HydrophobicContact CD2-CG 3.89Å; L1095-F1135 HydrophobicContact CG-CD2 4.48Å; V1133-F1135 HydrophobicContact CB-CE2 4.27Å; V1133-F1135 HydrophobicContact CG1-CD2 4.16Å; V1133-F1135 HydrophobicContact CG1-CE1 4.37Å; V1133-F1135 HydrophobicContact CG1-CE2 3.61Å; V1133-F1135 VanDerWaalsContact CG1-CE2 3.49Å; V1133-F1135 HydrophobicContact CG1-CZ 3.82Å; F1135-R1137 PolarHBondContact O-N 3.02Å |
| 1136 | N | 73.6 | Confident | 64.7 | Low | 23.4 Ų | 23.4 | 40.7 Ų | 40.7 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 98.5 | 176.6 | -67 | -67.7 | 0 | 0 | 0 | 109.4 | W795 W796 S797 P1015 C1022 Y1066 N1138 C1139 | W795-N1136 VanDerWaalsContact O-CB 3.31Å; W795-N1136 WeakPolarHBondContact O-CB 3.35Å; W795-N1136 PolarHBondContact O-N 3.08Å; W795-N1136 PolarHBondContact O-ND2 2.88Å; W796-N1136 HydrophobicContact CD2-CB 4.28Å; W796-N1136 HydrophobicContact CE3-CB 3.7Å; W796-N1136 HydrophobicContact CZ3-CB 4.1Å; S797-N1136 PolarHBondContact N-O 2.87Å; P1015-N1136 PolarHBondContact O-ND2 2.96Å; C1022-N1136 WeakPolarHBondContact CB-OD1 3.34Å; C1022-N1136 PolarHBondContact SG-ND2 3.33Å; C1022-N1136 PolarHBondContact SG-OD1 3.06Å; Y1066-N1136 PolarHBondContact OH-OD1 2.9Å; N1136-N1138 VanDerWaalsContact C-N 3.34Å; N1136-N1138 PolarHBondContact O-N 3.06Å; N1136-N1138 VanDerWaalsContact O-N 3.16Å; N1136-C1139 PolarHBondContact O-N 2.96Å; N1136-C1139 PolarHBondContact O-SG 2.87Å |
| 1137 | R | 67.9 | Low | 66.9 | Low | 78.6 Ų | 78.6 | 39 Ų | 39 | 30% | 0.297 | 22% | 0.22 | S | C | . | . | trans | -76 | -24.7 | -175.3 | -70.2 | -167.9 | 174.7 | 159.4 | -0.7 | 115 | D870 C874 E1099 F1135 | D870-R1137 VanDerWaalsContact CG-NE 3.34Å; D870-R1137 VanDerWaalsContact CG-NH2 3.31Å; D870-R1137 PolarHBondContact O-NH2 2.76Å; D870-R1137 IonicContact OD1-CZ 3.27Å; D870-R1137 IonicContact OD1-NE 3.19Å; D870-R1137 PolarHBondContact OD1-NE 3.09Å; D870-R1137 VanDerWaalsContact OD1-NE 3.11Å; D870-R1137 IonicContact OD1-NH2 3.01Å; D870-R1137 PolarHBondContact OD1-NH2 2.81Å; D870-R1137 IonicContact OD2-CZ 3.1Å; D870-R1137 IonicContact OD2-NE 3.05Å; D870-R1137 PolarHBondContact OD2-NE 3.18Å; D870-R1137 IonicContact OD2-NH1 3.17Å; D870-R1137 IonicContact OD2-NH2 3.66Å; D870-R1137 PolarHBondContact OD2-NH2 3.18Å; D870-R1137 VanDerWaalsContact OD2-NH2 3.14Å; C874-R1137 PolarHBondContact SG-NH1 2.76Å; C874-R1137 PolarHBondContact SG-NH2 2.83Å; C874-R1137 VanDerWaalsContact SG-NH2 3.35Å; E1099-R1137 HydrophobicContact CG-CG 4.17Å; E1099-R1137 WeakPolarHBondContact OE1-CA 3.44Å; E1099-R1137 WeakPolarHBondContact OE1-CB 3.47Å; E1099-R1137 VanDerWaalsContact OE1-CD 3.28Å; E1099-R1137 WeakPolarHBondContact OE1-CD 3.49Å; E1099-R1137 WeakPolarHBondContact OE1-CG 3.5Å; E1099-R1137 IonicContact OE1-NE 3.58Å; F1135-R1137 PolarHBondContact O-N 3.02Å | ||
| 1138 | N | 69.8 | Low | 69 | Low | 53.4 Ų | 53.4 | 36.5 Ų | 36.5 | 29% | 0.286 | 19% | 0.194 | S | C | . | . | trans | -121.9 | 79.1 | -179.4 | -159.9 | 2.9 | 0 | 0 | 0 | 111.5 | C1022 L1095 N1096 E1100 N1136 F1140 K1200 | C1022-N1138 PolarHBondContact O-ND2 3.02Å; L1095-N1138 PolarHBondContact O-ND2 3.03Å; N1096-N1138 VanDerWaalsContact CA-ND2 3.32Å; N1096-N1138 WeakPolarHBondContact CA-ND2 3.09Å; N1096-N1138 HydrophobicContact CB-CB 4.44Å; N1096-N1138 WeakPolarHBondContact CB-ND2 3.21Å; E1100-N1138 HydrophobicContact CG-CB 4.18Å; E1100-N1138 PolarHBondContact OE1-ND2 3.15Å; E1100-N1138 VanDerWaalsContact OE1-ND2 3.07Å; N1136-N1138 VanDerWaalsContact C-N 3.34Å; N1136-N1138 PolarHBondContact O-N 3.06Å; N1136-N1138 VanDerWaalsContact O-N 3.16Å; N1138-F1140 VanDerWaalsContact C-N 3.25Å; N1138-F1140 PolarHBondContact O-N 2.8Å; N1138-F1140 WeakPolarHBondContact OD1-CB 3.32Å; N1138-F1140 PolarHBondContact OD1-N 2.98Å; N1138-F1140 VanDerWaalsContact OD1-N 3.14Å; N1138-K1200 PolarHBondContact ND2-NZ 3.21Å; N1138-K1200 VanDerWaalsContact ND2-NZ 3.15Å | ||
| 1139 | C | 76.5 | Confident | 71.2 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | trans | -90 | -5.1 | -178.4 | -62.8 | 0 | 0 | 0 | 0 | 113.8 | S797 T1074 I1077 T1078 N1136 S1141 | S797-C1139 PolarHBondContact O-SG 3.3Å; T1074-C1139 VanDerWaalsContact CB-O 3.25Å; T1074-C1139 WeakPolarHBondContact CB-O 3.32Å; T1074-C1139 HydrophobicContact CG2-CB 4.19Å; T1074-C1139 WeakPolarHBondContact CG2-O 3.37Å; I1077-C1139 HydrophobicContact CB-CB 4.27Å; I1077-C1139 HydrophobicContact CD1-CB 4.01Å; I1077-C1139 HydrophobicContact CG2-CB 3.83Å; T1078-C1139 PolarHBondContact OG1-O 3.22Å; N1136-C1139 PolarHBondContact O-N 2.96Å; N1136-C1139 PolarHBondContact O-SG 2.87Å; C1139-S1141 PolarHBondContact O-N 2.92Å | ||
| 1140 | F | 78.2 | Confident | 73.1 | Confident | 6.2 Ų | 6.2 | 32.4 Ų | 32.4 | 3% | 0.027 | 16% | 0.155 | C | C | . | . | trans | -75.6 | 113.9 | 179.8 | -171 | -92.5 | 0 | 0 | 0 | 111.1 | L800 T1078 Q1081 L1082 L1085 L1095 Y1101 N1138 L1142 K1200 | L800-F1140 HydrophobicContact CD1-CB 3.94Å; L800-F1140 HydrophobicContact CD1-CD2 3.81Å; L800-F1140 HydrophobicContact CD1-CG 4.06Å; T1078-F1140 HydrophobicContact CG2-CD2 3.91Å; T1078-F1140 HydrophobicContact CG2-CE2 3.81Å; T1078-F1140 HydrophobicContact CG2-CG 4.48Å; T1078-F1140 HydrophobicContact CG2-CZ 4.32Å; Q1081-F1140 HydrophobicContact CB-CD2 4.18Å; Q1081-F1140 HydrophobicContact CB-CE2 4.41Å; Q1081-F1140 VanDerWaalsContact OE1-CD2 3.27Å; L1082-F1140 HydrophobicContact CD2-CE2 4.27Å; L1082-F1140 HydrophobicContact CD2-CZ 4.38Å; L1082-F1140 HydrophobicContact CG-CE2 4.44Å; L1085-F1140 HydrophobicContact CD1-CE2 4.09Å; L1085-F1140 HydrophobicContact CD1-CZ 4.39Å; L1095-F1140 HydrophobicContact CD1-CD1 3.79Å; L1095-F1140 HydrophobicContact CD1-CD2 4.37Å; L1095-F1140 HydrophobicContact CD1-CE1 3.61Å; L1095-F1140 VanDerWaalsContact CD1-CE1 3.47Å; L1095-F1140 HydrophobicContact CD1-CE2 4.21Å; L1095-F1140 HydrophobicContact CD1-CG 4.19Å; L1095-F1140 HydrophobicContact CD1-CZ 4.03Å; L1095-F1140 HydrophobicContact CD2-CD1 4.17Å; L1095-F1140 HydrophobicContact CD2-CE1 4.33Å; L1095-F1140 HydrophobicContact CD2-CG 4.4Å; Y1101-F1140 HydrophobicContact CD1-CE1 4.39Å; Y1101-F1140 HydrophobicContact CD2-CD1 4.28Å; Y1101-F1140 HydrophobicContact CE1-CE1 4.44Å; Y1101-F1140 HydrophobicContact CE2-CD1 4.39Å; Y1101-F1140 HydrophobicContact CG-CD1 4.41Å; Y1101-F1140 HydrophobicContact CG-CE1 4.37Å; N1138-F1140 VanDerWaalsContact C-N 3.25Å; N1138-F1140 PolarHBondContact O-N 2.8Å; N1138-F1140 WeakPolarHBondContact OD1-CB 3.32Å; N1138-F1140 PolarHBondContact OD1-N 2.98Å; N1138-F1140 VanDerWaalsContact OD1-N 3.14Å; F1140-L1142 HydrophobicContact CE1-CD1 4.15Å; F1140-L1142 HydrophobicContact CE1-CD2 4.38Å; F1140-L1142 HydrophobicContact CE1-CG 3.84Å; F1140-L1142 HydrophobicContact CZ-CD1 4.36Å; F1140-L1142 HydrophobicContact CZ-CD2 4.13Å; F1140-L1142 HydrophobicContact CZ-CG 3.99Å; F1140-K1200 PolarHBondContact O-NZ 3.04Å; F1140-K1200 VanDerWaalsContact O-NZ 3.14Å | ||
| 1141 | S | 81.2 | Confident | 75 | Confident | 7.6 Ų | 7.6 | 29 Ų | 29 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | trans | -146.5 | 90.4 | -176.1 | -171.6 | 0 | 0 | 0 | 0 | 112.6 | T1078 C1139 H1143 H1144 L1145 K1200 | T1078-S1141 PolarHBondContact OG1-N 3.14Å; C1139-S1141 PolarHBondContact O-N 2.92Å; S1141-H1143 VanDerWaalsContact C-N 3.26Å; S1141-H1143 PolarHBondContact O-N 3.1Å; S1141-H1143 PolarHBondContact OG-CE1 3.29Å; S1141-H1143 PolarHBondContact OG-ND1 3.11Å; S1141-H1144 PolarHBondContact O-N 3.09Å; S1141-H1144 PolarHBondContact OG-CE1 2.92Å; S1141-H1144 VanDerWaalsContact OG-CG 3.27Å; S1141-H1144 PolarHBondContact OG-N 3.13Å; S1141-H1144 PolarHBondContact OG-ND1 3.07Å; S1141-H1144 VanDerWaalsContact OG-ND1 3.08Å; S1141-L1145 PolarHBondContact O-N 3.13Å; S1141-L1145 VanDerWaalsContact O-N 3.16Å; S1141-K1200 PolarHBondContact OG-NZ 3.37Å | ||
| 1142 | L | 81.9 | Confident | 76.5 | Confident | 8.4 Ų | 8.4 | 23.6 Ų | 23.6 | 4% | 0.044 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.3 | -36.6 | 173.6 | -72.1 | 171.8 | 0 | 0 | 0 | 112.7 | T1078 L1082 Y1101 F1140 H1144 L1145 L1146 I1195 L1264 | T1078-L1142 HydrophobicContact CG2-CD2 4.21Å; L1082-L1142 HydrophobicContact CD1-CD2 4.35Å; Y1101-L1142 HydrophobicContact CE1-CD1 4.2Å; F1140-L1142 HydrophobicContact CE1-CD1 4.15Å; F1140-L1142 HydrophobicContact CE1-CD2 4.38Å; F1140-L1142 HydrophobicContact CE1-CG 3.84Å; F1140-L1142 HydrophobicContact CZ-CD1 4.36Å; F1140-L1142 HydrophobicContact CZ-CD2 4.13Å; F1140-L1142 HydrophobicContact CZ-CG 3.99Å; L1142-H1144 VanDerWaalsContact C-N 3.32Å; L1142-H1144 PolarHBondContact O-N 3.08Å; L1142-L1145 PolarHBondContact O-N 3.03Å; L1142-L1146 HydrophobicContact CB-CD1 4.4Å; L1142-L1146 VanDerWaalsContact O-CB 3.31Å; L1142-L1146 WeakPolarHBondContact O-CB 3.41Å; L1142-L1146 WeakPolarHBondContact O-CD1 3.37Å; L1142-L1146 VanDerWaalsContact O-CG 3.29Å; L1142-L1146 WeakPolarHBondContact O-CG 3.29Å; L1142-L1146 PolarHBondContact O-N 2.89Å; L1142-I1195 HydrophobicContact CD1-CD1 3.97Å; L1142-L1264 HydrophobicContact CD2-CD1 3.95Å |
| 1143 | H | 81.3 | Confident | 77.7 | Confident | 21.6 Ų | 21.6 | 22.3 Ų | 22.3 | 10% | 0.1 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.2 | -29.6 | -179.8 | 114.2 | -88.9 | 0 | 0 | 0 | 113.5 | S1141 R1147 H1203 L1204 L1207 | S1141-H1143 VanDerWaalsContact C-N 3.26Å; S1141-H1143 PolarHBondContact O-N 3.1Å; S1141-H1143 PolarHBondContact OG-CE1 3.29Å; S1141-H1143 PolarHBondContact OG-ND1 3.11Å; H1143-R1147 PolarHBondContact CE1-NH2 3.27Å; H1143-R1147 VanDerWaalsContact CE1-NH2 3.29Å; H1143-R1147 PolarHBondContact NE2-NE 3.45Å; H1143-R1147 VanDerWaalsContact NE2-NE 3.2Å; H1143-R1147 PolarHBondContact NE2-NH2 2.85Å; H1143-R1147 WeakPolarHBondContact O-CG 3.06Å; H1143-H1203 HydrophobicContact CB-CB 4.29Å; H1143-H1203 PolarHBondContact CD2-O 3Å; H1143-L1204 HydrophobicContact CB-CB 4.29Å; H1143-L1204 HydrophobicContact CB-CD1 4.48Å; H1143-L1207 VanDerWaalsContact O-CD2 3.22Å; H1143-L1207 WeakPolarHBondContact O-CD2 3.38Å |
| 1144 | H | 81.3 | Confident | 78.8 | Confident | 28.4 Ų | 28.4 | 21.9 Ų | 21.9 | 13% | 0.131 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -76.8 | -44.5 | 174.4 | -65.2 | 156.4 | 0 | 0 | 0 | 110.8 | V1071 T1074 S1075 S1141 L1142 L1146 R1147 | V1071-H1144 HydrophobicContact CG1-CB 4.33Å; T1074-H1144 PolarHBondContact OG1-ND1 3.26Å; S1075-H1144 VanDerWaalsContact OG-C 3.29Å; S1075-H1144 WeakPolarHBondContact OG-CB 3.35Å; S1075-H1144 PolarHBondContact OG-O 3.11Å; S1075-H1144 VanDerWaalsContact OG-O 3.08Å; S1141-H1144 PolarHBondContact O-N 3.09Å; S1141-H1144 PolarHBondContact OG-CE1 2.92Å; S1141-H1144 VanDerWaalsContact OG-CG 3.27Å; S1141-H1144 PolarHBondContact OG-N 3.13Å; S1141-H1144 PolarHBondContact OG-ND1 3.07Å; S1141-H1144 VanDerWaalsContact OG-ND1 3.08Å; L1142-H1144 VanDerWaalsContact C-N 3.32Å; L1142-H1144 PolarHBondContact O-N 3.08Å; H1144-L1146 VanDerWaalsContact C-N 3.31Å; H1144-L1146 PolarHBondContact O-N 3.03Å; H1144-R1147 WeakPolarHBondContact O-CB 3.44Å; H1144-R1147 PolarHBondContact O-N 3.28Å; H1144-R1147 VanDerWaalsContact O-N 3.15Å |
| 1145 | L | 84.3 | Confident | 79.6 | Confident | 1.2 Ų | 1.2 | 20.7 Ų | 20.7 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -56.1 | -46.3 | 176.4 | 177.2 | 56.7 | 0 | 0 | 0 | 111.7 | S1075 T1078 V1079 L1082 S1141 L1142 R1147 S1148 C1149 L1264 V1317 | S1075-L1145 PolarHBondContact OG-N 3.2Å; T1078-L1145 HydrophobicContact CG2-CB 4.39Å; T1078-L1145 HydrophobicContact CG2-CD2 3.92Å; V1079-L1145 HydrophobicContact CG2-CD1 3.39Å; V1079-L1145 VanDerWaalsContact CG2-CD1 3.43Å; V1079-L1145 HydrophobicContact CG2-CD2 4.27Å; V1079-L1145 HydrophobicContact CG2-CG 4.46Å; L1082-L1145 HydrophobicContact CD1-CD2 3.53Å; L1082-L1145 VanDerWaalsContact CD1-CD2 3.49Å; S1141-L1145 PolarHBondContact O-N 3.13Å; S1141-L1145 VanDerWaalsContact O-N 3.16Å; L1142-L1145 PolarHBondContact O-N 3.03Å; L1145-R1147 PolarHBondContact O-N 3.11Å; L1145-S1148 PolarHBondContact O-N 3.16Å; L1145-C1149 VanDerWaalsContact CD1-SG 3.55Å; L1145-C1149 WeakPolarHBondContact CD1-SG 3.2Å; L1145-C1149 PolarHBondContact O-N 2.92Å; L1145-C1149 PolarHBondContact O-SG 3.1Å; L1145-C1149 VanDerWaalsContact O-SG 3.36Å; L1145-L1264 HydrophobicContact CD2-CD1 4.31Å; L1145-V1317 HydrophobicContact CD1-CG1 4.07Å; L1145-V1317 HydrophobicContact CD1-CG2 4.11Å |
| 1146 | L | 81.8 | Confident | 80.4 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15.5 | 179.7 | -85.2 | 166 | 0 | 0 | 0 | 114.5 | L1142 H1144 S1148 C1149 L1151 L1204 L1207 I1208 R1211 L1266 I1310 | L1142-L1146 HydrophobicContact CB-CD1 4.4Å; L1142-L1146 VanDerWaalsContact O-CB 3.31Å; L1142-L1146 WeakPolarHBondContact O-CB 3.41Å; L1142-L1146 WeakPolarHBondContact O-CD1 3.37Å; L1142-L1146 VanDerWaalsContact O-CG 3.29Å; L1142-L1146 WeakPolarHBondContact O-CG 3.29Å; L1142-L1146 PolarHBondContact O-N 2.89Å; H1144-L1146 VanDerWaalsContact C-N 3.31Å; H1144-L1146 PolarHBondContact O-N 3.03Å; L1146-S1148 VanDerWaalsContact C-N 3.28Å; L1146-S1148 PolarHBondContact O-N 3.08Å; L1146-S1148 VanDerWaalsContact O-N 3.13Å; L1146-C1149 PolarHBondContact O-N 3.08Å; L1146-L1151 HydrophobicContact CD2-CD1 4.5Å; L1146-L1204 HydrophobicContact CD1-CD1 3.14Å; L1146-L1207 HydrophobicContact CB-CD2 3.52Å; L1146-L1207 VanDerWaalsContact CB-CD2 3.49Å; L1146-I1208 HydrophobicContact CD1-CG1 4.46Å; L1146-R1211 PolarHBondContact O-NH1 2.94Å; L1146-L1266 HydrophobicContact CD1-CD1 4.3Å; L1146-I1310 HydrophobicContact CD1-CD1 4.27Å; L1146-I1310 HydrophobicContact CD2-CB 4.23Å; L1146-I1310 HydrophobicContact CD2-CD1 3.5Å; L1146-I1310 VanDerWaalsContact CD2-CD1 3.42Å; L1146-I1310 HydrophobicContact CD2-CG1 3.6Å; L1146-I1310 VanDerWaalsContact CD2-CG1 3.48Å; L1146-I1310 HydrophobicContact CD2-CG2 3.68Å; L1146-I1310 HydrophobicContact CG-CD1 4.11Å |
| 1147 | R | 78.4 | Confident | 81 | Confident | 91.6 Ų | 91.6 | 19.2 Ų | 19.2 | 35% | 0.346 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -16.1 | 173.1 | -69 | -178.9 | 175.5 | -166.2 | -2.7 | 113.3 | H1143 H1144 L1145 L1207 P1327 | H1143-R1147 PolarHBondContact CE1-NH2 3.27Å; H1143-R1147 VanDerWaalsContact CE1-NH2 3.29Å; H1143-R1147 PolarHBondContact NE2-NE 3.45Å; H1143-R1147 VanDerWaalsContact NE2-NE 3.2Å; H1143-R1147 PolarHBondContact NE2-NH2 2.85Å; H1143-R1147 WeakPolarHBondContact O-CG 3.06Å; H1144-R1147 WeakPolarHBondContact O-CB 3.44Å; H1144-R1147 PolarHBondContact O-N 3.28Å; H1144-R1147 VanDerWaalsContact O-N 3.15Å; L1145-R1147 PolarHBondContact O-N 3.11Å; R1147-L1207 HydrophobicContact CG-CD1 3.97Å; R1147-L1207 HydrophobicContact CG-CD2 4.01Å; R1147-P1327 WeakPolarHBondContact O-CD 3.46Å; R1147-P1327 VanDerWaalsContact O-CG 3.3Å; R1147-P1327 WeakPolarHBondContact O-CG 3.31Å |
| 1148 | S | 75.1 | Confident | 81.9 | Confident | 4.8 Ų | 4.8 | 15.8 Ų | 15.8 | 3% | 0.034 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 2.1 | -173.1 | -53.4 | 0 | 0 | 0 | 0 | 113.8 | L1145 L1146 N1320 L1321 | L1145-S1148 PolarHBondContact O-N 3.16Å; L1146-S1148 VanDerWaalsContact C-N 3.28Å; L1146-S1148 PolarHBondContact O-N 3.08Å; L1146-S1148 VanDerWaalsContact O-N 3.13Å; S1148-N1320 PolarHBondContact O-ND2 3.17Å; S1148-N1320 VanDerWaalsContact O-ND2 3.1Å; S1148-L1321 VanDerWaalsContact OG-CD2 3.27Å; S1148-L1321 WeakPolarHBondContact OG-CD2 3.21Å |
| 1149 | C | 79.3 | Confident | 82.6 | Confident | 5.6 Ų | 5.6 | 14.1 Ų | 14.1 | 4% | 0.038 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -107.4 | 156.4 | -178.9 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | L1145 L1146 R1211 I1310 D1311 C1312 V1317 | L1145-C1149 VanDerWaalsContact CD1-SG 3.55Å; L1145-C1149 WeakPolarHBondContact CD1-SG 3.2Å; L1145-C1149 PolarHBondContact O-N 2.92Å; L1145-C1149 PolarHBondContact O-SG 3.1Å; L1145-C1149 VanDerWaalsContact O-SG 3.36Å; L1146-C1149 PolarHBondContact O-N 3.08Å; C1149-R1211 VanDerWaalsContact O-CZ 3.3Å; C1149-R1211 PolarHBondContact O-NH1 3.2Å; C1149-R1211 PolarHBondContact O-NH2 3Å; C1149-I1310 HydrophobicContact CB-CG2 3.58Å; C1149-D1311 WeakPolarHBondContact CB-O 3.43Å; C1149-C1312 VanDerWaalsContact SG-SG 3.61Å; C1149-V1317 VanDerWaalsContact SG-CG2 3.54Å; C1149-V1317 WeakPolarHBondContact SG-CG2 3.35Å |
| 1150 | R | 77.9 | Confident | 83 | Confident | 54.8 Ų | 54.8 | 14.7 Ų | 14.7 | 21% | 0.207 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 138.5 | 171.5 | -157.7 | 175.7 | -179.6 | 178.3 | -2.8 | 110.4 | I1310 D1311 L1332 L1352 Q1355 V1372 L1373 | R1150-I1310 WeakPolarHBondContact O-CA 3.33Å; R1150-I1310 WeakPolarHBondContact O-CG2 3.38Å; R1150-D1311 HydrophobicContact CB-CB 4.45Å; R1150-D1311 PolarHBondContact O-N 3.15Å; R1150-D1311 VanDerWaalsContact O-N 3.15Å; R1150-L1332 HydrophobicContact CG-CB 4.25Å; R1150-L1332 PolarHBondContact NE-O 3.04Å; R1150-L1352 HydrophobicContact CB-CD1 4.09Å; R1150-Q1355 PolarHBondContact NH1-O 3.09Å; R1150-Q1355 PolarHBondContact NH2-O 3.4Å; R1150-Q1355 VanDerWaalsContact NH2-O 3.12Å; R1150-V1372 PolarHBondContact NH2-O 3.32Å; R1150-L1373 PolarHBondContact NH1-O 3.17Å |
| 1151 | L | 84 | Confident | 83.3 | Confident | 5 Ų | 5 | 14.4 Ų | 14.4 | 3% | 0.026 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126.2 | -179.1 | 172.3 | 65.2 | 0 | 0 | 0 | 110.6 | L1146 R1211 F1308 I1310 D1333 A1334 | L1146-L1151 HydrophobicContact CD2-CD1 4.5Å; L1151-R1211 VanDerWaalsContact CB-CZ 3.49Å; L1151-R1211 HydrophobicContact CD2-CB 4.09Å; L1151-F1308 HydrophobicContact CD1-CB 3.79Å; L1151-F1308 HydrophobicContact CD1-CD1 4.15Å; L1151-F1308 HydrophobicContact CD1-CG 4.38Å; L1151-I1310 HydrophobicContact CD1-CD1 4.24Å; L1151-I1310 HydrophobicContact CD1-CG1 3.79Å; L1151-D1333 PolarHBondContact N-OD1 3.26Å; L1151-D1333 VanDerWaalsContact N-OD1 3.1Å; L1151-D1333 VanDerWaalsContact O-CA 3.26Å; L1151-D1333 WeakPolarHBondContact O-CA 3.35Å; L1151-D1333 WeakPolarHBondContact O-CB 3.37Å; L1151-A1334 PolarHBondContact O-N 3.05Å |
| 1152 | I | 85.1 | Confident | 83.1 | Confident | 5.8 Ų | 5.8 | 14.3 Ų | 14.3 | 3% | 0.03 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.2 | 171.6 | -65.1 | 171.5 | 0 | 0 | 0 | 108.4 | M1154 F1308 V1309 A1334 T1348 L1349 L1352 L1373 F1389 | I1152-M1154 HydrophobicContact CG2-CE 4.42Å; I1152-M1154 HydrophobicContact CG2-CG 4.34Å; I1152-F1308 CarbonylContact O-C 3.53Å; I1152-F1308 WeakPolarHBondContact O-CA 3.32Å; I1152-V1309 HydrophobicContact CB-CB 4.34Å; I1152-V1309 PolarHBondContact N-O 3.11Å; I1152-V1309 PolarHBondContact O-N 2.97Å; I1152-A1334 CarbonylContact C-O 3.55Å; I1152-A1334 VanDerWaalsContact CA-O 3.31Å; I1152-A1334 WeakPolarHBondContact CA-O 3.22Å; I1152-A1334 HydrophobicContact CG1-CB 4.22Å; I1152-T1348 HydrophobicContact CB-CG2 4.49Å; I1152-T1348 HydrophobicContact CD1-CG2 3.98Å; I1152-T1348 HydrophobicContact CG1-CG2 3.91Å; I1152-T1348 HydrophobicContact CG2-CG2 3.84Å; I1152-L1349 HydrophobicContact CD1-CD2 3.65Å; I1152-L1349 HydrophobicContact CD1-CG 4.13Å; I1152-L1352 HydrophobicContact CD1-CB 3.75Å; I1152-L1352 HydrophobicContact CD1-CD1 3.8Å; I1152-L1352 HydrophobicContact CD1-CD2 4.41Å; I1152-L1352 HydrophobicContact CD1-CG 4.19Å; I1152-L1352 HydrophobicContact CG1-CD1 4.29Å; I1152-L1373 HydrophobicContact CD1-CD2 3.61Å; I1152-L1373 HydrophobicContact CG1-CD2 4.45Å; I1152-L1373 HydrophobicContact CG2-CD2 4.16Å; I1152-F1389 HydrophobicContact CB-CE1 4.26Å; I1152-F1389 HydrophobicContact CB-CZ 3.93Å; I1152-F1389 HydrophobicContact CD1-CD1 3.86Å; I1152-F1389 HydrophobicContact CD1-CD2 4.33Å; I1152-F1389 HydrophobicContact CD1-CE1 3.2Å; I1152-F1389 HydrophobicContact CD1-CE2 3.77Å; I1152-F1389 HydrophobicContact CD1-CG 4.38Å; I1152-F1389 HydrophobicContact CD1-CZ 3.15Å; I1152-F1389 HydrophobicContact CG1-CE1 4.26Å; I1152-F1389 HydrophobicContact CG1-CZ 4Å; I1152-F1389 HydrophobicContact CG2-CE1 4.15Å; I1152-F1389 HydrophobicContact CG2-CZ 4.28Å |
| 1153 | T | 87.2 | Confident | 82.7 | Confident | 3.2 Ų | 3.2 | 14.4 Ų | 14.4 | 2% | 0.02 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.3 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 109.6 | L1155 L1212 P1306 L1307 F1308 A1334 V1335 E1336 | T1153-L1155 HydrophobicContact CG2-CD2 4.23Å; T1153-L1212 HydrophobicContact CG2-CD1 4.07Å; T1153-L1212 WeakPolarHBondContact OG1-CD1 3.41Å; T1153-P1306 HydrophobicContact CG2-CB 4.03Å; T1153-L1307 WeakPolarHBondContact CA-O 3.34Å; T1153-F1308 HydrophobicContact CG2-CD1 3.92Å; T1153-F1308 HydrophobicContact CG2-CE1 3.68Å; T1153-F1308 WeakPolarHBondContact OG1-CD1 3.45Å; T1153-A1334 PolarHBondContact N-O 3.17Å; T1153-V1335 HydrophobicContact CG2-CG1 4.46Å; T1153-V1335 CarbonylContact O-C 3.48Å; T1153-V1335 VanDerWaalsContact O-CA 3.31Å; T1153-V1335 WeakPolarHBondContact O-CA 3.31Å; T1153-E1336 PolarHBondContact O-N 3.11Å |
| 1154 | M | 88 | Confident | 82.2 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.4 | 173.5 | -58.9 | 177.1 | 112.5 | 0 | 0 | 109.1 | I1152 F1156 P1306 L1307 V1309 E1336 L1338 L1349 I1396 | I1152-M1154 HydrophobicContact CG2-CE 4.42Å; I1152-M1154 HydrophobicContact CG2-CG 4.34Å; M1154-F1156 HydrophobicContact CB-CD2 4.26Å; M1154-F1156 HydrophobicContact CB-CE2 3.66Å; M1154-F1156 HydrophobicContact CB-CZ 4.43Å; M1154-F1156 HydrophobicContact CE-CE2 4.34Å; M1154-F1156 HydrophobicContact CE-CZ 4.21Å; M1154-F1156 HydrophobicContact SD-CE2 4.44Å; M1154-P1306 CarbonylContact O-C 3.55Å; M1154-P1306 WeakPolarHBondContact O-CA 3.16Å; M1154-L1307 HydrophobicContact CB-CB 4.31Å; M1154-L1307 PolarHBondContact N-O 3.17Å; M1154-L1307 PolarHBondContact O-N 2.87Å; M1154-V1309 HydrophobicContact CG-CG2 4.28Å; M1154-V1309 HydrophobicContact SD-CG2 3.75Å; M1154-E1336 WeakPolarHBondContact CA-O 3.41Å; M1154-E1336 WeakPolarHBondContact CE-OE2 3.42Å; M1154-E1336 HydrophobicContact CG-CB 4.36Å; M1154-L1338 HydrophobicContact CB-CD1 4.35Å; M1154-L1338 HydrophobicContact CE-CD1 3.71Å; M1154-L1338 VanDerWaalsContact CE-CD1 3.45Å; M1154-L1338 HydrophobicContact CG-CD1 4.43Å; M1154-L1338 HydrophobicContact SD-CD1 4.38Å; M1154-L1349 HydrophobicContact CE-CD1 4.33Å; M1154-L1349 HydrophobicContact SD-CD1 4.38Å; M1154-I1396 HydrophobicContact SD-CD1 4.31Å; M1154-I1396 HydrophobicContact SD-CG2 4.39Å |
| 1155 | L | 87.3 | Confident | 81.6 | Confident | 0.2 Ų | 0.2 | 24 Ų | 24 | 0% | 0.001 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 115.4 | -179.7 | -65.1 | 172.8 | 0 | 0 | 0 | 110.5 | T1153 P1218 V1220 W1222 P1306 V1335 E1336 L1338 R1339 | T1153-L1155 HydrophobicContact CG2-CD2 4.23Å; L1155-P1218 HydrophobicContact CD1-CG 3.77Å; L1155-V1220 HydrophobicContact CD1-CG2 3.91Å; L1155-V1220 HydrophobicContact CD2-CG2 4.38Å; L1155-W1222 HydrophobicContact CD2-CZ2 4.38Å; L1155-P1306 HydrophobicContact CD2-CB 4.31Å; L1155-V1335 HydrophobicContact CD1-CG1 3.84Å; L1155-V1335 HydrophobicContact CG-CG1 4.14Å; L1155-E1336 PolarHBondContact N-O 2.95Å; L1155-L1338 CarbonylContact O-C 3.55Å; L1155-L1338 VanDerWaalsContact O-CA 3.26Å; L1155-L1338 WeakPolarHBondContact O-CA 3.41Å; L1155-L1338 WeakPolarHBondContact O-CB 3.35Å; L1155-L1338 PolarHBondContact O-N 3.28Å; L1155-L1338 VanDerWaalsContact O-N 3.08Å; L1155-R1339 HydrophobicContact CB-CG 4.25Å; L1155-R1339 PolarHBondContact O-N 3.23Å; L1155-R1339 VanDerWaalsContact O-N 3.11Å |
| 1156 | F | 87.8 | Confident | 80.9 | Confident | 3.4 Ų | 3.4 | 25.8 Ų | 25.8 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 155.3 | 176.7 | -72 | -91.5 | 0 | 0 | 0 | 111.1 | M1154 S1304 F1305 L1307 L1338 I1396 Y1400 | M1154-F1156 HydrophobicContact CB-CD2 4.26Å; M1154-F1156 HydrophobicContact CB-CE2 3.66Å; M1154-F1156 HydrophobicContact CB-CZ 4.43Å; M1154-F1156 HydrophobicContact CE-CE2 4.34Å; M1154-F1156 HydrophobicContact CE-CZ 4.21Å; M1154-F1156 HydrophobicContact SD-CE2 4.44Å; F1156-S1304 CarbonylContact O-C 3.52Å; F1156-S1304 VanDerWaalsContact O-CA 3.24Å; F1156-S1304 WeakPolarHBondContact O-CA 3.29Å; F1156-S1304 WeakPolarHBondContact O-CB 3.37Å; F1156-F1305 HydrophobicContact CB-CD1 4.18Å; F1156-F1305 HydrophobicContact CB-CD2 4.4Å; F1156-F1305 HydrophobicContact CB-CE1 3.59Å; F1156-F1305 HydrophobicContact CB-CE2 3.84Å; F1156-F1305 HydrophobicContact CB-CG 4.49Å; F1156-F1305 HydrophobicContact CB-CZ 3.4Å; F1156-F1305 VanDerWaalsContact CB-CZ 3.42Å; F1156-F1305 HydrophobicContact CD2-CE2 4.39Å; F1156-F1305 HydrophobicContact CG-CE2 4.41Å; F1156-F1305 HydrophobicContact CG-CZ 4.19Å; F1156-F1305 PolarHBondContact N-O 3.22Å; F1156-F1305 PolarHBondContact O-N 3.22Å; F1156-L1307 HydrophobicContact CD2-CB 4.33Å; F1156-L1307 HydrophobicContact CD2-CD1 3.83Å; F1156-L1307 VanDerWaalsContact CD2-CD1 3.45Å; F1156-L1307 HydrophobicContact CD2-CG 4.04Å; F1156-L1307 HydrophobicContact CE2-CB 4.24Å; F1156-L1307 HydrophobicContact CE2-CD1 3.44Å; F1156-L1307 VanDerWaalsContact CE2-CD1 3.46Å; F1156-L1307 HydrophobicContact CE2-CD2 4.16Å; F1156-L1307 HydrophobicContact CE2-CG 4.25Å; F1156-L1307 HydrophobicContact CG-CD1 4.26Å; F1156-L1307 HydrophobicContact CZ-CD1 4.21Å; F1156-L1338 HydrophobicContact CD1-CB 4.32Å; F1156-L1338 HydrophobicContact CD1-CD1 4.41Å; F1156-L1338 HydrophobicContact CE1-CB 4.24Å; F1156-L1338 HydrophobicContact CE1-CD1 3.78Å; F1156-L1338 HydrophobicContact CE2-CD1 3.92Å; F1156-L1338 HydrophobicContact CZ-CB 4.48Å; F1156-L1338 HydrophobicContact CZ-CD1 3.42Å; F1156-L1338 VanDerWaalsContact CZ-CD1 3.44Å; F1156-I1396 HydrophobicContact CE2-CG2 4.36Å; F1156-I1396 HydrophobicContact CZ-CG2 4Å; F1156-Y1400 HydrophobicContact CB-CE1 4.21Å; F1156-Y1400 AromaticContact CD1-CD1 3.34Å; F1156-Y1400 HydrophobicContact CD1-CD1 3.34Å; F1156-Y1400 VanDerWaalsContact CD1-CD1 3.46Å; F1156-Y1400 HydrophobicContact CD1-CD2 4.39Å; F1156-Y1400 AromaticContact CD1-CE1 3.81Å; F1156-Y1400 HydrophobicContact CD1-CE1 3.81Å; F1156-Y1400 AromaticContact CD1-CG 3.72Å; F1156-Y1400 HydrophobicContact CD1-CG 3.72Å; F1156-Y1400 AromaticContact CE1-CD1 3.79Å; F1156-Y1400 HydrophobicContact CE1-CD1 3.79Å; F1156-Y1400 AromaticContact CE1-CG 3.91Å; F1156-Y1400 HydrophobicContact CE1-CG 3.91Å; F1156-Y1400 HydrophobicContact CG-CD1 4.24Å; F1156-Y1400 HydrophobicContact CG-CE1 4.39Å; F1156-Y1400 HydrophobicContact CG-CG 4.39Å |
| 1157 | S | 86 | Confident | 80.5 | Confident | 14.2 Ų | 14.2 | 30.4 Ų | 30.4 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.5 | 173 | 3.2 | 0 | 0 | 0 | 0 | 110.8 | L1303 S1340 Y1400 | S1157-L1303 CarbonylContact C-O 3.51Å; S1157-L1303 WeakPolarHBondContact CA-O 3.44Å; S1157-S1340 PolarHBondContact OG-N 3.36Å; S1157-S1340 VanDerWaalsContact OG-N 3.13Å; S1157-S1340 PolarHBondContact OG-OG 2.96Å; S1157-Y1400 WeakPolarHBondContact O-CE1 3.47Å; S1157-Y1400 PolarHBondContact O-OH 3.17Å |
| 1158 | T | 86.8 | Confident | 80.5 | Confident | 7.8 Ų | 7.8 | 28.1 Ų | 28.1 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 168.7 | 168.4 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | V1161 N1174 F1271 V1274 V1302 L1303 F1305 | T1158-V1161 WeakPolarHBondContact OG1-CG2 3.42Å; T1158-N1174 WeakPolarHBondContact CB-OD1 3.32Å; T1158-F1271 HydrophobicContact CG2-CE2 4.15Å; T1158-V1274 HydrophobicContact CG2-CG1 4.26Å; T1158-V1302 VanDerWaalsContact O-CG1 3.29Å; T1158-V1302 WeakPolarHBondContact O-CG1 3.35Å; T1158-L1303 HydrophobicContact CG2-CB 4.11Å; T1158-L1303 WeakPolarHBondContact CG2-O 3.35Å; T1158-L1303 PolarHBondContact N-O 2.96Å; T1158-L1303 PolarHBondContact OG1-N 3.13Å; T1158-L1303 VanDerWaalsContact OG1-N 3.15Å; T1158-L1303 PolarHBondContact OG1-O 2.99Å; T1158-F1305 HydrophobicContact CG2-CD1 3.75Å; T1158-F1305 HydrophobicContact CG2-CE1 4.17Å |
| 1159 | I | 85.9 | Confident | 80.8 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 9% | 0.087 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -68 | 164.1 | 160.5 | 48.9 | 169.3 | 0 | 0 | 0 | 108.7 | V1161 A1173 N1174 V1177 I1404 I1408 D1422 | I1159-V1161 WeakPolarHBondContact O-CG2 3.28Å; I1159-V1161 PolarHBondContact O-N 3.12Å; I1159-V1161 VanDerWaalsContact O-N 3.09Å; I1159-A1173 HydrophobicContact CD1-CB 3.94Å; I1159-N1174 WeakPolarHBondContact CB-OD1 3.36Å; I1159-N1174 HydrophobicContact CG1-CB 4.4Å; I1159-N1174 VanDerWaalsContact CG1-CG 3.44Å; I1159-N1174 VanDerWaalsContact CG1-ND2 3.33Å; I1159-N1174 WeakPolarHBondContact CG1-ND2 3.29Å; I1159-N1174 VanDerWaalsContact CG1-OD1 3.24Å; I1159-N1174 WeakPolarHBondContact CG1-OD1 3.35Å; I1159-N1174 PolarHBondContact N-OD1 3.06Å; I1159-N1174 PolarHBondContact O-ND2 3.16Å; I1159-N1174 PolarHBondContact O-OD1 3.02Å; I1159-V1177 HydrophobicContact CD1-CB 4.09Å; I1159-V1177 HydrophobicContact CD1-CG2 4.05Å; I1159-I1404 HydrophobicContact CG2-CG1 4.44Å; I1159-I1404 HydrophobicContact CG2-CG2 4.18Å; I1159-I1408 HydrophobicContact CD1-CG1 4.36Å; I1159-I1408 HydrophobicContact CG2-CD1 4.43Å; I1159-D1422 HydrophobicContact CB-CB 4.16Å; I1159-D1422 HydrophobicContact CG2-CB 4.16Å |
| 1160 | I | 84.9 | Confident | 81 | Confident | 16 Ų | 16 | 34.5 Ų | 34.5 | 8% | 0.082 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -50.2 | 127.2 | 178 | -71.6 | 166.6 | 0 | 0 | 0 | 109.8 | A1162 Y1170 N1174 Y1300 V1302 H1419 V1421 D1422 | I1160-A1162 VanDerWaalsContact CG2-O 3.25Å; I1160-A1162 WeakPolarHBondContact CG2-O 3.35Å; I1160-Y1170 HydrophobicContact CG2-CD2 3.91Å; I1160-Y1170 HydrophobicContact CG2-CE2 4.09Å; I1160-Y1170 WeakPolarHBondContact O-CB 3.34Å; I1160-Y1170 WeakPolarHBondContact O-CD2 3.11Å; I1160-N1174 PolarHBondContact O-ND2 3.16Å; I1160-Y1300 HydrophobicContact CD1-CG 4.39Å; I1160-Y1300 WeakPolarHBondContact CG1-O 3.49Å; I1160-Y1300 VanDerWaalsContact CG2-O 3.25Å; I1160-Y1300 WeakPolarHBondContact CG2-O 3.37Å; I1160-V1302 HydrophobicContact CB-CG2 4.45Å; I1160-V1302 HydrophobicContact CG1-CG2 3.58Å; I1160-H1419 HydrophobicContact CB-CB 4.1Å; I1160-H1419 HydrophobicContact CD1-CB 4.03Å; I1160-H1419 VanDerWaalsContact CD1-CG 3.49Å; I1160-H1419 WeakPolarHBondContact CD1-ND1 3.35Å; I1160-H1419 HydrophobicContact CG2-CB 4.18Å; I1160-V1421 HydrophobicContact CD1-CB 4.05Å; I1160-V1421 HydrophobicContact CD1-CG1 4.42Å; I1160-D1422 VanDerWaalsContact CB-OD2 3.27Å; I1160-D1422 WeakPolarHBondContact CB-OD2 3.35Å; I1160-D1422 WeakPolarHBondContact CG1-OD2 3.27Å; I1160-D1422 PolarHBondContact N-OD1 3.14Å; I1160-D1422 PolarHBondContact N-OD2 3.07Å |
| 1161 | V | 83.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -98.2 | -41.1 | -176.1 | -176 | 0 | 0 | 0 | 0 | 111.1 | T1158 I1159 E1168 K1169 Y1170 F1271 F1289 G1301 L1303 | T1158-V1161 WeakPolarHBondContact OG1-CG2 3.42Å; I1159-V1161 WeakPolarHBondContact O-CG2 3.28Å; I1159-V1161 PolarHBondContact O-N 3.12Å; I1159-V1161 VanDerWaalsContact O-N 3.09Å; V1161-E1168 HydrophobicContact CG1-CB 4.27Å; V1161-E1168 HydrophobicContact CG1-CG 4Å; V1161-E1168 CarbonylContact O-C 3.47Å; V1161-E1168 VanDerWaalsContact O-C 3.27Å; V1161-E1168 VanDerWaalsContact O-CA 3.29Å; V1161-E1168 WeakPolarHBondContact O-CA 3.38Å; V1161-E1168 WeakPolarHBondContact O-CG 3.43Å; V1161-K1169 CarbonylContact C-O 3.52Å; V1161-K1169 PolarHBondContact O-N 3.29Å; V1161-Y1170 PolarHBondContact O-N 3.04Å; V1161-Y1170 VanDerWaalsContact O-N 3.13Å; V1161-F1271 HydrophobicContact CB-CZ 4.4Å; V1161-F1271 HydrophobicContact CG1-CE1 4.36Å; V1161-F1271 HydrophobicContact CG1-CZ 3.76Å; V1161-F1271 HydrophobicContact CG2-CE2 4.11Å; V1161-F1271 HydrophobicContact CG2-CZ 3.73Å; V1161-F1289 HydrophobicContact CB-CZ 4.22Å; V1161-F1289 HydrophobicContact CG1-CZ 4.15Å; V1161-G1301 WeakPolarHBondContact CB-O 3.46Å; V1161-G1301 PolarHBondContact N-O 3.08Å; V1161-L1303 HydrophobicContact CG2-CD1 3.91Å; V1161-L1303 HydrophobicContact CG2-CG 3.92Å | ||
| 1162 | A | 78.4 | Confident | 81.4 | Confident | 4.8 Ų | 4.8 | 39.3 Ų | 39.3 | 4% | 0.04 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -114.1 | 140.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1160 N1167 F1289 | I1160-A1162 VanDerWaalsContact CG2-O 3.25Å; I1160-A1162 WeakPolarHBondContact CG2-O 3.35Å; A1162-N1167 VanDerWaalsContact CA-O 3.27Å; A1162-N1167 WeakPolarHBondContact CA-O 3.29Å; A1162-N1167 WeakPolarHBondContact CB-O 3.5Å; A1162-F1289 HydrophobicContact CB-CD1 4.48Å; A1162-F1289 HydrophobicContact CB-CD2 3.91Å; A1162-F1289 HydrophobicContact CB-CE1 4.29Å; A1162-F1289 HydrophobicContact CB-CE2 3.5Å; A1162-F1289 VanDerWaalsContact CB-CE2 3.49Å; A1162-F1289 HydrophobicContact CB-CG 4.4Å; A1162-F1289 HydrophobicContact CB-CZ 3.71Å |
| 1163 | G | 72 | Confident | 81.5 | Confident | 11.8 Ų | 11.8 | 39.5 Ų | 39.5 | 12% | 0.122 | 22% | 0.215 | C | C | . | . | trans | -78.8 | 179.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1165 G1166 N1167 | G1163-D1165 PolarHBondContact O-N 3.18Å; G1163-G1166 PolarHBondContact O-N 3.14Å; G1163-N1167 PolarHBondContact N-O 3.06Å; G1163-N1167 VanDerWaalsContact N-O 3.14Å | ||
| 1164 | D | 71 | Confident | 81.6 | Confident | 153 Ų | 153 | 39.4 Ų | 39.4 | 82% | 0.818 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -24.9 | -179.7 | -56.7 | -26.1 | 0 | 0 | 0 | 114 | G1166 | D1164-G1166 VanDerWaalsContact C-N 3.33Å; D1164-G1166 PolarHBondContact O-N 3.33Å |
| 1165 | D | 69.4 | Low | 81.7 | Confident | 97.2 Ų | 97.2 | 41.4 Ų | 41.4 | 52% | 0.52 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -0.2 | 177.4 | -3.8 | -24.8 | 0 | 0 | 0 | 113.6 | G1163 N1167 K1169 | G1163-D1165 PolarHBondContact O-N 3.18Å; D1165-N1167 PolarHBondContact O-N 3.15Å; D1165-N1167 PolarHBondContact OD2-ND2 3.09Å; D1165-K1169 WeakPolarHBondContact OD1-CE 3.42Å; D1165-K1169 IonicContact OD1-NZ 2.81Å; D1165-K1169 PolarHBondContact OD1-NZ 3.02Å; D1165-K1169 VanDerWaalsContact OD2-CE 3.26Å; D1165-K1169 WeakPolarHBondContact OD2-CE 3.24Å; D1165-K1169 IonicContact OD2-NZ 3.22Å; D1165-K1169 PolarHBondContact OD2-NZ 3.12Å |
| 1166 | G | 68.9 | Low | 81.7 | Confident | 39.4 Ų | 39.4 | 43.3 Ų | 43.3 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 73.5 | -1.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1163 D1164 | G1163-G1166 PolarHBondContact O-N 3.14Å; D1164-G1166 VanDerWaalsContact C-N 3.33Å; D1164-G1166 PolarHBondContact O-N 3.33Å |
| 1167 | N | 73.8 | Confident | 81.8 | Confident | 102.6 Ų | 102.6 | 43.6 Ų | 43.6 | 55% | 0.549 | 24% | 0.241 | S | C | . | . | trans | -81.3 | 139 | 175.7 | -72 | -37.2 | 0 | 0 | 0 | 111 | A1162 G1163 D1165 K1169 | A1162-N1167 VanDerWaalsContact CA-O 3.27Å; A1162-N1167 WeakPolarHBondContact CA-O 3.29Å; A1162-N1167 WeakPolarHBondContact CB-O 3.5Å; G1163-N1167 PolarHBondContact N-O 3.06Å; G1163-N1167 VanDerWaalsContact N-O 3.14Å; D1165-N1167 PolarHBondContact O-N 3.15Å; D1165-N1167 PolarHBondContact OD2-ND2 3.09Å; N1167-K1169 HydrophobicContact CB-CG 4.48Å; N1167-K1169 PolarHBondContact O-N 3.17Å | ||
| 1168 | E | 79 | Confident | 81.9 | Confident | 43.4 Ų | 43.4 | 43.2 Ų | 43.2 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | trans | -72.1 | 72.4 | -179.3 | -73.1 | -178.3 | -137.8 | 0 | 0 | 112.6 | V1161 Y1170 A1171 R1275 S1286 I1287 F1289 | V1161-E1168 HydrophobicContact CG1-CB 4.27Å; V1161-E1168 HydrophobicContact CG1-CG 4Å; V1161-E1168 CarbonylContact O-C 3.47Å; V1161-E1168 VanDerWaalsContact O-C 3.27Å; V1161-E1168 VanDerWaalsContact O-CA 3.29Å; V1161-E1168 WeakPolarHBondContact O-CA 3.38Å; V1161-E1168 WeakPolarHBondContact O-CG 3.43Å; E1168-Y1170 PolarHBondContact O-N 3.25Å; E1168-Y1170 VanDerWaalsContact O-N 3.14Å; E1168-A1171 HydrophobicContact CB-CB 4.36Å; E1168-A1171 PolarHBondContact O-N 3.2Å; E1168-R1275 IonicContact OE1-CZ 2.98Å; E1168-R1275 IonicContact OE1-NE 3.39Å; E1168-R1275 IonicContact OE1-NH2 3.49Å; E1168-R1275 PolarHBondContact OE1-NH2 2.84Å; E1168-R1275 IonicContact OE2-CZ 3.3Å; E1168-R1275 VanDerWaalsContact OE2-CZ 3.22Å; E1168-R1275 IonicContact OE2-NE 3.39Å; E1168-R1275 PolarHBondContact OE2-NE 3.05Å; E1168-R1275 IonicContact OE2-NH2 3.38Å; E1168-R1275 PolarHBondContact OE2-NH2 3.16Å; E1168-S1286 VanDerWaalsContact OE1-CA 3.28Å; E1168-S1286 WeakPolarHBondContact OE1-CA 3.35Å; E1168-I1287 PolarHBondContact OE1-N 3.09Å; E1168-F1289 HydrophobicContact CG-CE2 3.84Å; E1168-F1289 HydrophobicContact CG-CZ 4.22Å | ||
| 1169 | K | 80.2 | Confident | 82 | Confident | 93 Ų | 93 | 47.6 Ų | 47.6 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -19.2 | -178.6 | -69.5 | 177.6 | -179.1 | 168.6 | 0 | 112.6 | V1161 D1165 N1167 A1171 | V1161-K1169 CarbonylContact C-O 3.52Å; V1161-K1169 PolarHBondContact O-N 3.29Å; D1165-K1169 WeakPolarHBondContact OD1-CE 3.42Å; D1165-K1169 IonicContact OD1-NZ 2.81Å; D1165-K1169 PolarHBondContact OD1-NZ 3.02Å; D1165-K1169 VanDerWaalsContact OD2-CE 3.26Å; D1165-K1169 WeakPolarHBondContact OD2-CE 3.24Å; D1165-K1169 IonicContact OD2-NZ 3.22Å; D1165-K1169 PolarHBondContact OD2-NZ 3.12Å; N1167-K1169 HydrophobicContact CB-CG 4.48Å; N1167-K1169 PolarHBondContact O-N 3.17Å; K1169-A1171 VanDerWaalsContact C-N 3.27Å; K1169-A1171 PolarHBondContact O-N 3.33Å |
| 1170 | Y | 85 | Confident | 82 | Confident | 51.4 Ų | 51.4 | 48 Ų | 48 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 15.5 | -171.8 | -50.2 | -69.6 | 0 | 0 | 0 | 113.8 | I1160 V1161 E1168 E1172 A1173 N1174 L1417 H1419 | I1160-Y1170 HydrophobicContact CG2-CD2 3.91Å; I1160-Y1170 HydrophobicContact CG2-CE2 4.09Å; I1160-Y1170 WeakPolarHBondContact O-CB 3.34Å; I1160-Y1170 WeakPolarHBondContact O-CD2 3.11Å; V1161-Y1170 PolarHBondContact O-N 3.04Å; V1161-Y1170 VanDerWaalsContact O-N 3.13Å; E1168-Y1170 PolarHBondContact O-N 3.25Å; E1168-Y1170 VanDerWaalsContact O-N 3.14Å; Y1170-E1172 VanDerWaalsContact C-N 3.32Å; Y1170-E1172 PolarHBondContact O-N 3.26Å; Y1170-A1173 PolarHBondContact O-N 3.23Å; Y1170-A1173 VanDerWaalsContact O-N 3.11Å; Y1170-N1174 WeakPolarHBondContact O-CB 3.39Å; Y1170-N1174 PolarHBondContact O-N 2.96Å; Y1170-N1174 VanDerWaalsContact O-N 3.12Å; Y1170-N1174 PolarHBondContact O-ND2 3.21Å; Y1170-L1417 HydrophobicContact CD1-CB 4.08Å; Y1170-L1417 WeakPolarHBondContact CD1-O 3.44Å; Y1170-L1417 HydrophobicContact CE1-CB 3.91Å; Y1170-H1419 HydrophobicContact CE1-CB 4.21Å; Y1170-H1419 HydrophobicContact CE2-CB 4.11Å; Y1170-H1419 AromaticContact CE2-CD2 3.95Å; Y1170-H1419 AromaticContact CZ-CD2 3.93Å |
| 1171 | A | 84.5 | Confident | 82.2 | Confident | 21.4 Ų | 21.4 | 47.2 Ų | 47.2 | 18% | 0.177 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -34.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1168 K1169 N1174 S1175 F1271 | E1168-A1171 HydrophobicContact CB-CB 4.36Å; E1168-A1171 PolarHBondContact O-N 3.2Å; K1169-A1171 VanDerWaalsContact C-N 3.27Å; K1169-A1171 PolarHBondContact O-N 3.33Å; A1171-N1174 PolarHBondContact O-N 3.07Å; A1171-S1175 WeakPolarHBondContact O-CB 3.42Å; A1171-S1175 PolarHBondContact O-N 3.39Å; A1171-S1175 VanDerWaalsContact O-N 3.07Å; A1171-S1175 PolarHBondContact O-OG 3.19Å; A1171-F1271 HydrophobicContact CB-CE1 3.87Å; A1171-F1271 WeakPolarHBondContact O-CD1 3.31Å |
| 1172 | E | 85.1 | Confident | 82.5 | Confident | 138.8 Ų | 138.8 | 47.5 Ų | 47.5 | 65% | 0.649 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -70.8 | -41.3 | 176.6 | -68.1 | -174.7 | 171.6 | 0 | 0 | 111.9 | Y1170 N1174 S1175 L1176 L1416 | Y1170-E1172 VanDerWaalsContact C-N 3.32Å; Y1170-E1172 PolarHBondContact O-N 3.26Å; E1172-N1174 VanDerWaalsContact C-N 3.32Å; E1172-N1174 PolarHBondContact O-N 2.93Å; E1172-S1175 WeakPolarHBondContact O-CB 3.37Å; E1172-S1175 PolarHBondContact O-N 3.17Å; E1172-S1175 VanDerWaalsContact O-N 3.1Å; E1172-L1176 WeakPolarHBondContact O-CB 3.27Å; E1172-L1176 PolarHBondContact O-N 3.13Å; E1172-L1176 VanDerWaalsContact O-N 3.09Å; E1172-L1416 HydrophobicContact CB-CD1 4.1Å; E1172-L1416 VanDerWaalsContact OE2-CD2 3.25Å; E1172-L1416 WeakPolarHBondContact OE2-CD2 3.35Å |
| 1173 | A | 87.4 | Confident | 82.8 | Confident | 9.2 Ų | 9.2 | 49.4 Ų | 49.4 | 8% | 0.076 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.7 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1159 Y1170 S1175 L1176 V1177 A1411 V1418 | I1159-A1173 HydrophobicContact CD1-CB 3.94Å; Y1170-A1173 PolarHBondContact O-N 3.23Å; Y1170-A1173 VanDerWaalsContact O-N 3.11Å; A1173-S1175 VanDerWaalsContact C-N 3.29Å; A1173-S1175 PolarHBondContact O-N 3.27Å; A1173-L1176 PolarHBondContact O-N 2.88Å; A1173-V1177 WeakPolarHBondContact O-CG2 3.31Å; A1173-V1177 PolarHBondContact O-N 3.06Å; A1173-A1411 HydrophobicContact CB-CB 4.01Å; A1173-V1418 HydrophobicContact CB-CG2 4.23Å |
| 1174 | N | 89.1 | Confident | 83.5 | Confident | 2.4 Ų | 2.4 | 49.7 Ų | 49.7 | 1% | 0.013 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 172.2 | -87.8 | -75 | 0 | 0 | 0 | 112.4 | T1158 I1159 I1160 Y1170 A1171 E1172 L1176 V1177 F1178 F1271 | T1158-N1174 WeakPolarHBondContact CB-OD1 3.32Å; I1159-N1174 WeakPolarHBondContact CB-OD1 3.36Å; I1159-N1174 HydrophobicContact CG1-CB 4.4Å; I1159-N1174 VanDerWaalsContact CG1-CG 3.44Å; I1159-N1174 VanDerWaalsContact CG1-ND2 3.33Å; I1159-N1174 WeakPolarHBondContact CG1-ND2 3.29Å; I1159-N1174 VanDerWaalsContact CG1-OD1 3.24Å; I1159-N1174 WeakPolarHBondContact CG1-OD1 3.35Å; I1159-N1174 PolarHBondContact N-OD1 3.06Å; I1159-N1174 PolarHBondContact O-ND2 3.16Å; I1159-N1174 PolarHBondContact O-OD1 3.02Å; I1160-N1174 PolarHBondContact O-ND2 3.16Å; Y1170-N1174 WeakPolarHBondContact O-CB 3.39Å; Y1170-N1174 PolarHBondContact O-N 2.96Å; Y1170-N1174 VanDerWaalsContact O-N 3.12Å; Y1170-N1174 PolarHBondContact O-ND2 3.21Å; A1171-N1174 PolarHBondContact O-N 3.07Å; E1172-N1174 VanDerWaalsContact C-N 3.32Å; E1172-N1174 PolarHBondContact O-N 2.93Å; N1174-L1176 VanDerWaalsContact C-N 3.31Å; N1174-L1176 PolarHBondContact O-N 3.1Å; N1174-V1177 PolarHBondContact O-N 2.9Å; N1174-F1178 WeakPolarHBondContact O-CB 3.31Å; N1174-F1178 PolarHBondContact O-N 3.17Å; N1174-F1271 HydrophobicContact CB-CD1 3.82Å; N1174-F1271 HydrophobicContact CB-CD2 3.64Å; N1174-F1271 HydrophobicContact CB-CE1 3.75Å; N1174-F1271 HydrophobicContact CB-CE2 3.56Å; N1174-F1271 HydrophobicContact CB-CG 3.77Å; N1174-F1271 HydrophobicContact CB-CZ 3.63Å |
| 1175 | S | 89.8 | Confident | 84.3 | Confident | 41.6 Ų | 41.6 | 42.5 Ų | 42.5 | 29% | 0.291 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.2 | -37.6 | 177.8 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | A1171 E1172 A1173 F1178 Q1179 | A1171-S1175 WeakPolarHBondContact O-CB 3.42Å; A1171-S1175 PolarHBondContact O-N 3.39Å; A1171-S1175 VanDerWaalsContact O-N 3.07Å; A1171-S1175 PolarHBondContact O-OG 3.19Å; E1172-S1175 WeakPolarHBondContact O-CB 3.37Å; E1172-S1175 PolarHBondContact O-N 3.17Å; E1172-S1175 VanDerWaalsContact O-N 3.1Å; A1173-S1175 VanDerWaalsContact C-N 3.29Å; A1173-S1175 PolarHBondContact O-N 3.27Å; S1175-F1178 PolarHBondContact O-N 2.92Å; S1175-Q1179 WeakPolarHBondContact O-CB 3.13Å; S1175-Q1179 VanDerWaalsContact O-CG 3.27Å; S1175-Q1179 WeakPolarHBondContact O-CG 3.33Å; S1175-Q1179 PolarHBondContact O-N 3.02Å; S1175-Q1179 VanDerWaalsContact O-N 3.09Å |
| 1176 | L | 87.5 | Confident | 84.9 | Confident | 41.8 Ų | 41.8 | 38.6 Ų | 38.6 | 22% | 0.219 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.9 | -44.6 | 175.5 | -82.8 | 166.8 | 0 | 0 | 0 | 112.2 | E1172 A1173 N1174 F1178 Q1179 V1180 V1410 A1411 L1416 | E1172-L1176 WeakPolarHBondContact O-CB 3.27Å; E1172-L1176 PolarHBondContact O-N 3.13Å; E1172-L1176 VanDerWaalsContact O-N 3.09Å; A1173-L1176 PolarHBondContact O-N 2.88Å; N1174-L1176 VanDerWaalsContact C-N 3.31Å; N1174-L1176 PolarHBondContact O-N 3.1Å; L1176-F1178 VanDerWaalsContact C-N 3.27Å; L1176-F1178 PolarHBondContact O-N 3.01Å; L1176-Q1179 WeakPolarHBondContact O-CB 3.48Å; L1176-Q1179 PolarHBondContact O-N 3.07Å; L1176-V1180 WeakPolarHBondContact O-CG2 3.32Å; L1176-V1180 PolarHBondContact O-N 3.15Å; L1176-V1410 HydrophobicContact CD1-CG1 4.25Å; L1176-V1410 HydrophobicContact CD2-CG1 4.27Å; L1176-A1411 HydrophobicContact CD1-CB 3.91Å; L1176-L1416 HydrophobicContact CD1-CD1 3.58Å |
| 1177 | V | 88.7 | Confident | 85.5 | Confident | 9.6 Ų | 9.6 | 42.9 Ų | 42.9 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.3 | -43.4 | 174.1 | 171 | 0 | 0 | 0 | 0 | 110.9 | I1159 A1173 N1174 Q1179 V1180 F1181 I1404 | I1159-V1177 HydrophobicContact CD1-CB 4.09Å; I1159-V1177 HydrophobicContact CD1-CG2 4.05Å; A1173-V1177 WeakPolarHBondContact O-CG2 3.31Å; A1173-V1177 PolarHBondContact O-N 3.06Å; N1174-V1177 PolarHBondContact O-N 2.9Å; V1177-Q1179 VanDerWaalsContact C-N 3.28Å; V1177-Q1179 PolarHBondContact O-N 3.14Å; V1177-V1180 PolarHBondContact O-N 3.16Å; V1177-V1180 VanDerWaalsContact O-N 3.15Å; V1177-F1181 VanDerWaalsContact O-CB 3.31Å; V1177-F1181 WeakPolarHBondContact O-CB 3.37Å; V1177-F1181 PolarHBondContact O-N 3.19Å; V1177-I1404 HydrophobicContact CG1-CG1 4.23Å |
| 1178 | F | 89.5 | Confident | 85.8 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -38.6 | 177.2 | -129.3 | -94.2 | 0 | 0 | 0 | 112.9 | N1174 S1175 L1176 F1181 H1182 P1268 F1271 V1274 F1305 | N1174-F1178 WeakPolarHBondContact O-CB 3.31Å; N1174-F1178 PolarHBondContact O-N 3.17Å; S1175-F1178 PolarHBondContact O-N 2.92Å; L1176-F1178 VanDerWaalsContact C-N 3.27Å; L1176-F1178 PolarHBondContact O-N 3.01Å; F1178-F1181 PolarHBondContact O-N 3.09Å; F1178-H1182 AromaticContact CD1-CE1 3.74Å; F1178-H1182 AromaticContact CD1-NE2 3.73Å; F1178-H1182 AromaticContact CE1-CD2 3.93Å; F1178-H1182 AromaticContact CE1-CE1 3.59Å; F1178-H1182 VanDerWaalsContact CE1-CE1 3.45Å; F1178-H1182 WeakPolarHBondContact CE1-CE1 3.36Å; F1178-H1182 AromaticContact CE1-NE2 3.36Å; F1178-H1182 VanDerWaalsContact CE1-NE2 3.31Å; F1178-H1182 WeakPolarHBondContact CE1-NE2 3.27Å; F1178-H1182 AromaticContact CZ-NE2 3.77Å; F1178-H1182 WeakPolarHBondContact O-CB 3.43Å; F1178-H1182 PolarHBondContact O-N 3.26Å; F1178-P1268 HydrophobicContact CE1-CB 4.25Å; F1178-P1268 VanDerWaalsContact CE1-O 3.3Å; F1178-P1268 WeakPolarHBondContact CE1-O 3.25Å; F1178-P1268 HydrophobicContact CZ-CB 4.17Å; F1178-P1268 HydrophobicContact CZ-CG 4.4Å; F1178-P1268 WeakPolarHBondContact CZ-O 3.47Å; F1178-F1271 HydrophobicContact CB-CB 4.43Å; F1178-F1271 HydrophobicContact CD2-CB 4.15Å; F1178-F1271 HydrophobicContact CD2-CD2 4.2Å; F1178-F1271 HydrophobicContact CE2-CD2 4.29Å; F1178-F1271 HydrophobicContact CG-CB 4.26Å; F1178-V1274 HydrophobicContact CE1-CG2 4.22Å; F1178-V1274 HydrophobicContact CE2-CG2 3.96Å; F1178-V1274 HydrophobicContact CZ-CG2 3.78Å; F1178-F1305 HydrophobicContact CE1-CD2 4.43Å; F1178-F1305 HydrophobicContact CE1-CE2 4.34Å; F1178-F1305 HydrophobicContact CE2-CD1 4.24Å; F1178-F1305 AromaticContact CE2-CD2 3.99Å; F1178-F1305 HydrophobicContact CE2-CD2 4.03Å; F1178-F1305 AromaticContact CE2-CE1 3.93Å; F1178-F1305 HydrophobicContact CE2-CE1 4.05Å; F1178-F1305 AromaticContact CE2-CE2 3.85Å; F1178-F1305 HydrophobicContact CE2-CE2 3.85Å; F1178-F1305 HydrophobicContact CE2-CG 4.24Å; F1178-F1305 AromaticContact CE2-CZ 3.88Å; F1178-F1305 HydrophobicContact CE2-CZ 3.95Å; F1178-F1305 AromaticContact CZ-CD1 3.82Å; F1178-F1305 HydrophobicContact CZ-CD1 3.82Å; F1178-F1305 AromaticContact CZ-CD2 3.85Å; F1178-F1305 HydrophobicContact CZ-CD2 3.85Å; F1178-F1305 AromaticContact CZ-CE1 3.78Å; F1178-F1305 HydrophobicContact CZ-CE1 3.78Å; F1178-F1305 AromaticContact CZ-CE2 3.83Å; F1178-F1305 HydrophobicContact CZ-CE2 3.83Å; F1178-F1305 AromaticContact CZ-CG 3.82Å; F1178-F1305 HydrophobicContact CZ-CG 4.17Å; F1178-F1305 AromaticContact CZ-CZ 3.73Å; F1178-F1305 HydrophobicContact CZ-CZ 4.11Å |
| 1179 | Q | 87.6 | Confident | 85.9 | Confident | 99.8 Ų | 99.8 | 39.7 Ų | 39.7 | 47% | 0.466 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65 | -43.9 | 174.6 | -75.1 | 172.9 | 14.2 | 0 | 0 | 112.1 | S1175 L1176 V1177 F1181 H1182 H1183 F1620 | S1175-Q1179 WeakPolarHBondContact O-CB 3.13Å; S1175-Q1179 VanDerWaalsContact O-CG 3.27Å; S1175-Q1179 WeakPolarHBondContact O-CG 3.33Å; S1175-Q1179 PolarHBondContact O-N 3.02Å; S1175-Q1179 VanDerWaalsContact O-N 3.09Å; L1176-Q1179 WeakPolarHBondContact O-CB 3.48Å; L1176-Q1179 PolarHBondContact O-N 3.07Å; V1177-Q1179 VanDerWaalsContact C-N 3.28Å; V1177-Q1179 PolarHBondContact O-N 3.14Å; Q1179-F1181 VanDerWaalsContact C-N 3.31Å; Q1179-F1181 PolarHBondContact O-N 3.37Å; Q1179-H1182 PolarHBondContact O-N 3Å; Q1179-H1183 VanDerWaalsContact O-CB 3.31Å; Q1179-H1183 WeakPolarHBondContact O-CB 3.35Å; Q1179-H1183 PolarHBondContact O-N 3.05Å; Q1179-F1620 HydrophobicContact CB-CE2 4.19Å; Q1179-F1620 HydrophobicContact CB-CZ 4.19Å |
| 1180 | V | 86.9 | Confident | 85.8 | Confident | 23.8 Ų | 23.8 | 37.4 Ų | 37.4 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.5 | 176 | 0 | 0 | 0 | 0 | 110.4 | L1176 V1177 H1182 H1183 T1184 A1406 F1620 | L1176-V1180 WeakPolarHBondContact O-CG2 3.32Å; L1176-V1180 PolarHBondContact O-N 3.15Å; V1177-V1180 PolarHBondContact O-N 3.16Å; V1177-V1180 VanDerWaalsContact O-N 3.15Å; V1180-H1182 PolarHBondContact O-N 3.42Å; V1180-H1183 WeakPolarHBondContact O-CB 3.4Å; V1180-H1183 PolarHBondContact O-N 3.05Å; V1180-H1183 VanDerWaalsContact O-N 3.13Å; V1180-T1184 WeakPolarHBondContact O-CB 3.4Å; V1180-T1184 PolarHBondContact O-N 3.16Å; V1180-T1184 PolarHBondContact O-OG1 2.98Å; V1180-T1184 VanDerWaalsContact O-OG1 3.09Å; V1180-A1406 HydrophobicContact CG1-CB 3.82Å; V1180-F1620 HydrophobicContact CB-CE2 4.48Å; V1180-F1620 HydrophobicContact CG1-CE2 4.47Å; V1180-F1620 HydrophobicContact CG1-CZ 4.46Å; V1180-F1620 HydrophobicContact CG2-CD1 4.24Å; V1180-F1620 HydrophobicContact CG2-CD2 3.9Å; V1180-F1620 HydrophobicContact CG2-CE1 4.01Å; V1180-F1620 HydrophobicContact CG2-CE2 3.54Å; V1180-F1620 HydrophobicContact CG2-CG 4.25Å; V1180-F1620 HydrophobicContact CG2-CZ 3.86Å |
| 1181 | F | 89.9 | Confident | 85.5 | Confident | 1.2 Ų | 1.2 | 35.2 Ų | 35.2 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -49 | 177 | -180 | -124.1 | 0 | 0 | 0 | 112.4 | V1177 F1178 Q1179 H1183 T1184 L1185 F1305 L1307 I1396 A1399 Y1400 S1403 | V1177-F1181 VanDerWaalsContact O-CB 3.31Å; V1177-F1181 WeakPolarHBondContact O-CB 3.37Å; V1177-F1181 PolarHBondContact O-N 3.19Å; F1178-F1181 PolarHBondContact O-N 3.09Å; Q1179-F1181 VanDerWaalsContact C-N 3.31Å; Q1179-F1181 PolarHBondContact O-N 3.37Å; F1181-H1183 VanDerWaalsContact C-N 3.32Å; F1181-H1183 PolarHBondContact O-N 3.12Å; F1181-T1184 PolarHBondContact O-N 3.13Å; F1181-T1184 VanDerWaalsContact O-N 3.16Å; F1181-L1185 HydrophobicContact CD1-CD1 4.11Å; F1181-L1185 HydrophobicContact CD2-CD1 4.36Å; F1181-L1185 HydrophobicContact CD2-CG 4.25Å; F1181-L1185 HydrophobicContact CE1-CD1 3.63Å; F1181-L1185 HydrophobicContact CE1-CG 4.42Å; F1181-L1185 HydrophobicContact CE2-CD1 4.03Å; F1181-L1185 HydrophobicContact CE2-CD2 4.09Å; F1181-L1185 HydrophobicContact CE2-CG 3.92Å; F1181-L1185 HydrophobicContact CG-CD1 4.46Å; F1181-L1185 HydrophobicContact CZ-CD1 3.6Å; F1181-L1185 VanDerWaalsContact CZ-CD1 3.48Å; F1181-L1185 HydrophobicContact CZ-CD2 4.24Å; F1181-L1185 HydrophobicContact CZ-CG 4.13Å; F1181-L1185 WeakPolarHBondContact O-CG 3.38Å; F1181-L1185 PolarHBondContact O-N 3.22Å; F1181-F1305 HydrophobicContact CE1-CE2 4.43Å; F1181-L1307 HydrophobicContact CE1-CD1 3.78Å; F1181-L1307 HydrophobicContact CE1-CD2 4.21Å; F1181-L1307 HydrophobicContact CZ-CD1 3.74Å; F1181-L1307 HydrophobicContact CZ-CD2 4.3Å; F1181-I1396 HydrophobicContact CZ-CG2 4.44Å; F1181-A1399 HydrophobicContact CE2-CB 4.46Å; F1181-Y1400 HydrophobicContact CD1-CD2 4.17Å; F1181-Y1400 HydrophobicContact CD1-CE2 4.5Å; F1181-Y1400 AromaticContact CD2-CD2 3.8Å; F1181-Y1400 HydrophobicContact CD2-CD2 3.8Å; F1181-Y1400 HydrophobicContact CE1-CD2 4.22Å; F1181-Y1400 AromaticContact CE2-CD2 3.87Å; F1181-Y1400 HydrophobicContact CE2-CD2 3.87Å; F1181-Y1400 HydrophobicContact CE2-CG 4.31Å; F1181-Y1400 AromaticContact CG-CD2 3.93Å; F1181-Y1400 HydrophobicContact CG-CD2 3.95Å; F1181-Y1400 HydrophobicContact CG-CE2 4.47Å; F1181-Y1400 HydrophobicContact CZ-CD2 4.07Å; F1181-S1403 VanDerWaalsContact CA-OG 3.27Å; F1181-S1403 WeakPolarHBondContact CA-OG 3.32Å; F1181-S1403 WeakPolarHBondContact CB-OG 3.31Å |
| 1182 | H | 89 | Confident | 85.3 | Confident | 6.2 Ų | 6.2 | 35.3 Ų | 35.3 | 3% | 0.029 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.8 | -34.3 | 175.9 | -76.4 | -172.6 | 0 | 0 | 0 | 113.1 | L1111 F1178 Q1179 V1180 L1185 A1186 F1253 S1267 P1268 A1269 F1617 | L1111-H1182 HydrophobicContact CD1-CB 4.35Å; F1178-H1182 AromaticContact CD1-CE1 3.74Å; F1178-H1182 AromaticContact CD1-NE2 3.73Å; F1178-H1182 AromaticContact CE1-CD2 3.93Å; F1178-H1182 AromaticContact CE1-CE1 3.59Å; F1178-H1182 VanDerWaalsContact CE1-CE1 3.45Å; F1178-H1182 WeakPolarHBondContact CE1-CE1 3.36Å; F1178-H1182 AromaticContact CE1-NE2 3.36Å; F1178-H1182 VanDerWaalsContact CE1-NE2 3.31Å; F1178-H1182 WeakPolarHBondContact CE1-NE2 3.27Å; F1178-H1182 AromaticContact CZ-NE2 3.77Å; F1178-H1182 WeakPolarHBondContact O-CB 3.43Å; F1178-H1182 PolarHBondContact O-N 3.26Å; Q1179-H1182 PolarHBondContact O-N 3Å; V1180-H1182 PolarHBondContact O-N 3.42Å; H1182-L1185 PolarHBondContact O-N 3.24Å; H1182-A1186 VanDerWaalsContact O-CB 3.25Å; H1182-A1186 WeakPolarHBondContact O-CB 3.4Å; H1182-A1186 PolarHBondContact O-N 3.12Å; H1182-F1253 HydrophobicContact CB-CZ 4.1Å; H1182-F1253 AromaticContact CD2-CZ 3.91Å; H1182-F1253 AromaticContact CG-CZ 3.98Å; H1182-S1267 PolarHBondContact NE2-OG 3.22Å; H1182-S1267 VanDerWaalsContact NE2-OG 3.12Å; H1182-P1268 PolarHBondContact CE1-O 3.23Å; H1182-P1268 PolarHBondContact NE2-O 3Å; H1182-A1269 PolarHBondContact CE1-O 3.09Å; H1182-A1269 VanDerWaalsContact CE1-O 3.23Å; H1182-A1269 PolarHBondContact ND1-O 3.03Å; H1182-F1617 HydrophobicContact CB-CD1 3.88Å; H1182-F1617 HydrophobicContact CB-CE1 3.33Å; H1182-F1617 VanDerWaalsContact CB-CE1 3.45Å; H1182-F1617 HydrophobicContact CB-CE2 4.29Å; H1182-F1617 HydrophobicContact CB-CG 4.37Å; H1182-F1617 HydrophobicContact CB-CZ 3.58Å; H1182-F1617 AromaticContact CG-CE1 3.73Å; H1182-F1617 AromaticContact ND1-CE1 3.53Å; H1182-F1617 WeakPolarHBondContact ND1-CE1 3.49Å; H1182-F1617 AromaticContact ND1-CZ 3.82Å |
| 1183 | H | 85.2 | Confident | 85.1 | Confident | 43.6 Ų | 43.6 | 28.8 Ų | 28.8 | 20% | 0.202 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 173.6 | -172.4 | 66.9 | 0 | 0 | 0 | 111.9 | Q1179 V1180 F1181 L1185 A1186 K1187 F1617 F1620 D1621 | Q1179-H1183 VanDerWaalsContact O-CB 3.31Å; Q1179-H1183 WeakPolarHBondContact O-CB 3.35Å; Q1179-H1183 PolarHBondContact O-N 3.05Å; V1180-H1183 WeakPolarHBondContact O-CB 3.4Å; V1180-H1183 PolarHBondContact O-N 3.05Å; V1180-H1183 VanDerWaalsContact O-N 3.13Å; F1181-H1183 VanDerWaalsContact C-N 3.32Å; F1181-H1183 PolarHBondContact O-N 3.12Å; H1183-L1185 PolarHBondContact O-N 3.46Å; H1183-A1186 PolarHBondContact O-N 3.12Å; H1183-K1187 WeakPolarHBondContact NE2-CE 3.43Å; H1183-K1187 PolarHBondContact NE2-NZ 3.23Å; H1183-K1187 VanDerWaalsContact NE2-NZ 3.11Å; H1183-K1187 WeakPolarHBondContact O-CB 3.32Å; H1183-K1187 WeakPolarHBondContact O-CG 3.33Å; H1183-K1187 PolarHBondContact O-N 3.06Å; H1183-K1187 VanDerWaalsContact O-N 3.13Å; H1183-F1617 HydrophobicContact CB-CB 4.49Å; H1183-F1620 HydrophobicContact CB-CD2 4.03Å; H1183-F1620 HydrophobicContact CB-CE2 4.46Å; H1183-F1620 AromaticContact CD2-CD2 3.93Å; H1183-D1621 IonicContact CE1-OD1 2.75Å; H1183-D1621 IonicContact NE2-OD1 3.36Å; H1183-D1621 PolarHBondContact NE2-OD1 2.99Å; H1183-D1621 VanDerWaalsContact NE2-OD1 3.12Å |
| 1184 | T | 85.8 | Confident | 84.8 | Confident | 18.2 Ų | 18.2 | 29.8 Ų | 29.8 | 11% | 0.112 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | V1180 F1181 A1186 K1187 K1188 A1399 Y1402 S1403 | V1180-T1184 WeakPolarHBondContact O-CB 3.4Å; V1180-T1184 PolarHBondContact O-N 3.16Å; V1180-T1184 PolarHBondContact O-OG1 2.98Å; V1180-T1184 VanDerWaalsContact O-OG1 3.09Å; F1181-T1184 PolarHBondContact O-N 3.13Å; F1181-T1184 VanDerWaalsContact O-N 3.16Å; T1184-A1186 VanDerWaalsContact C-N 3.34Å; T1184-A1186 PolarHBondContact O-N 3.42Å; T1184-K1187 PolarHBondContact O-N 2.97Å; T1184-K1187 VanDerWaalsContact O-N 3.16Å; T1184-K1188 PolarHBondContact O-N 3.1Å; T1184-K1188 VanDerWaalsContact O-N 3.11Å; T1184-A1399 HydrophobicContact CG2-CB 3.92Å; T1184-Y1402 HydrophobicContact CG2-CD1 4.42Å; T1184-S1403 PolarHBondContact OG1-OG 3.02Å |
| 1185 | L | 87.1 | Confident | 84.4 | Confident | 1.6 Ų | 1.6 | 29.9 Ų | 29.9 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 173.4 | -71 | 178.9 | 0 | 0 | 0 | 111.6 | F1181 H1182 H1183 K1187 K1188 H1189 F1253 L1265 | F1181-L1185 HydrophobicContact CD1-CD1 4.11Å; F1181-L1185 HydrophobicContact CD2-CD1 4.36Å; F1181-L1185 HydrophobicContact CD2-CG 4.25Å; F1181-L1185 HydrophobicContact CE1-CD1 3.63Å; F1181-L1185 HydrophobicContact CE1-CG 4.42Å; F1181-L1185 HydrophobicContact CE2-CD1 4.03Å; F1181-L1185 HydrophobicContact CE2-CD2 4.09Å; F1181-L1185 HydrophobicContact CE2-CG 3.92Å; F1181-L1185 HydrophobicContact CG-CD1 4.46Å; F1181-L1185 HydrophobicContact CZ-CD1 3.6Å; F1181-L1185 VanDerWaalsContact CZ-CD1 3.48Å; F1181-L1185 HydrophobicContact CZ-CD2 4.24Å; F1181-L1185 HydrophobicContact CZ-CG 4.13Å; F1181-L1185 WeakPolarHBondContact O-CG 3.38Å; F1181-L1185 PolarHBondContact O-N 3.22Å; H1182-L1185 PolarHBondContact O-N 3.24Å; H1183-L1185 PolarHBondContact O-N 3.46Å; L1185-K1187 VanDerWaalsContact C-N 3.28Å; L1185-K1187 PolarHBondContact O-N 3.06Å; L1185-K1188 PolarHBondContact O-N 2.98Å; L1185-K1188 VanDerWaalsContact O-N 3.15Å; L1185-H1189 WeakPolarHBondContact O-CB 3.43Å; L1185-H1189 PolarHBondContact O-N 3.29Å; L1185-H1189 VanDerWaalsContact O-N 3.11Å; L1185-H1189 PolarHBondContact O-ND1 3.08Å; L1185-F1253 HydrophobicContact CB-CD1 3.92Å; L1185-F1253 HydrophobicContact CB-CD2 4.37Å; L1185-F1253 HydrophobicContact CB-CE1 3.75Å; L1185-F1253 HydrophobicContact CB-CE2 4.2Å; L1185-F1253 HydrophobicContact CB-CG 4.25Å; L1185-F1253 HydrophobicContact CB-CZ 3.9Å; L1185-F1253 HydrophobicContact CD1-CD2 4.08Å; L1185-F1253 HydrophobicContact CD1-CE2 3.76Å; L1185-F1253 HydrophobicContact CD1-CZ 4.13Å; L1185-L1265 HydrophobicContact CD1-CD2 3.79Å; L1185-L1265 HydrophobicContact CD2-CD2 3.76Å; L1185-L1265 HydrophobicContact CG-CD2 4.36Å |
| 1186 | A | 83.7 | Confident | 83.6 | Confident | 15.2 Ų | 15.2 | 31.5 Ų | 31.5 | 13% | 0.126 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -37 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1106 H1182 H1183 T1184 K1188 H1189 F1253 F1617 | S1106-A1186 WeakPolarHBondContact CB-O 3.38Å; S1106-A1186 PolarHBondContact OG-O 3.23Å; H1182-A1186 VanDerWaalsContact O-CB 3.25Å; H1182-A1186 WeakPolarHBondContact O-CB 3.4Å; H1182-A1186 PolarHBondContact O-N 3.12Å; H1183-A1186 PolarHBondContact O-N 3.12Å; T1184-A1186 VanDerWaalsContact C-N 3.34Å; T1184-A1186 PolarHBondContact O-N 3.42Å; A1186-K1188 PolarHBondContact O-N 3.2Å; A1186-H1189 PolarHBondContact O-N 3.24Å; A1186-F1253 HydrophobicContact CB-CE1 4.18Å; A1186-F1617 HydrophobicContact CB-CE2 4.47Å |
| 1187 | K | 81.3 | Confident | 82.9 | Confident | 130.2 Ų | 130.2 | 32 Ų | 32 | 57% | 0.566 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -69.1 | -36.7 | 173.9 | -75.5 | 177.5 | 173.6 | 174.5 | 0 | 113.8 | H1183 T1184 L1185 H1189 D1621 | H1183-K1187 WeakPolarHBondContact NE2-CE 3.43Å; H1183-K1187 PolarHBondContact NE2-NZ 3.23Å; H1183-K1187 VanDerWaalsContact NE2-NZ 3.11Å; H1183-K1187 WeakPolarHBondContact O-CB 3.32Å; H1183-K1187 WeakPolarHBondContact O-CG 3.33Å; H1183-K1187 PolarHBondContact O-N 3.06Å; H1183-K1187 VanDerWaalsContact O-N 3.13Å; T1184-K1187 PolarHBondContact O-N 2.97Å; T1184-K1187 VanDerWaalsContact O-N 3.16Å; L1185-K1187 VanDerWaalsContact C-N 3.28Å; L1185-K1187 PolarHBondContact O-N 3.06Å; K1187-H1189 VanDerWaalsContact C-N 3.34Å; K1187-D1621 WeakPolarHBondContact CE-OD1 3.35Å; K1187-D1621 IonicContact NZ-OD1 3.11Å; K1187-D1621 PolarHBondContact NZ-OD1 3.38Å |
| 1188 | K | 78.9 | Confident | 82.1 | Confident | 67 Ų | 67 | 32.8 Ų | 32.8 | 29% | 0.291 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -82.1 | -10.2 | -179.9 | -69.5 | -169.3 | -179.5 | -173.4 | 0 | 113.9 | T1184 L1185 A1186 Q1395 A1399 D1684 | T1184-K1188 PolarHBondContact O-N 3.1Å; T1184-K1188 VanDerWaalsContact O-N 3.11Å; L1185-K1188 PolarHBondContact O-N 2.98Å; L1185-K1188 VanDerWaalsContact O-N 3.15Å; A1186-K1188 PolarHBondContact O-N 3.2Å; K1188-Q1395 PolarHBondContact NZ-O 2.91Å; K1188-A1399 HydrophobicContact CD-CB 4.42Å; K1188-D1684 WeakPolarHBondContact CE-OD2 3.45Å; K1188-D1684 IonicContact NZ-OD1 3.98Å; K1188-D1684 PolarHBondContact NZ-OD1 3.17Å; K1188-D1684 IonicContact NZ-OD2 2.73Å; K1188-D1684 PolarHBondContact NZ-OD2 3.49Å; K1188-D1684 VanDerWaalsContact NZ-OD2 3.11Å |
| 1189 | H | 81.6 | Confident | 81.3 | Confident | 11.4 Ų | 11.4 | 35.6 Ų | 35.6 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -115.8 | 156.6 | -176.6 | -68.6 | 76.7 | 0 | 0 | 0 | 111.2 | S1106 L1185 A1186 K1187 F1253 I1254 Y1392 | S1106-H1189 VanDerWaalsContact CB-O 3.31Å; S1106-H1189 WeakPolarHBondContact CB-O 3.36Å; S1106-H1189 PolarHBondContact OG-O 2.86Å; L1185-H1189 WeakPolarHBondContact O-CB 3.43Å; L1185-H1189 PolarHBondContact O-N 3.29Å; L1185-H1189 VanDerWaalsContact O-N 3.11Å; L1185-H1189 PolarHBondContact O-ND1 3.08Å; A1186-H1189 PolarHBondContact O-N 3.24Å; K1187-H1189 VanDerWaalsContact C-N 3.34Å; H1189-F1253 HydrophobicContact CB-CB 4.04Å; H1189-I1254 WeakPolarHBondContact CB-O 3.31Å; H1189-Y1392 AromaticContact NE2-CE2 3.86Å; H1189-Y1392 AromaticContact NE2-CZ 3.84Å; H1189-Y1392 PolarHBondContact NE2-OH 2.99Å |
| 1190 | T | 77.4 | Confident | 80.6 | Confident | 45.8 Ų | 45.8 | 33 Ų | 33 | 28% | 0.281 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -75.5 | -42.2 | -175.8 | 34 | 0 | 0 | 0 | 0 | 111.9 | C1086 T1089 S1106 I1254 Q1256 | C1086-T1190 HydrophobicContact CB-CG2 4.12Å; C1086-T1190 WeakPolarHBondContact O-CG2 3.38Å; C1086-T1190 PolarHBondContact SG-OG1 2.9Å; T1089-T1190 HydrophobicContact CG2-CG2 4.38Å; S1106-T1190 WeakPolarHBondContact CB-O 3.4Å; S1106-T1190 PolarHBondContact N-O 3.22Å; T1190-I1254 WeakPolarHBondContact CB-O 3.29Å; T1190-I1254 PolarHBondContact N-O 3.2Å; T1190-I1254 PolarHBondContact OG1-O 2.92Å; T1190-Q1256 PolarHBondContact OG1-N 3.17Å |
| 1191 | N | 80.2 | Confident | 80.5 | Confident | 5.4 Ų | 5.4 | 31.9 Ų | 31.9 | 3% | 0.029 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 165.9 | 177.5 | -112.5 | -22.1 | 0 | 0 | 0 | 111.1 | L1085 E1088 V1103 P1105 I1254 | L1085-N1191 WeakPolarHBondContact O-CB 3.42Å; L1085-N1191 PolarHBondContact O-ND2 2.97Å; E1088-N1191 PolarHBondContact O-ND2 3.2Å; E1088-N1191 VanDerWaalsContact O-ND2 3.09Å; V1103-N1191 HydrophobicContact CG1-CB 4.3Å; P1105-N1191 VanDerWaalsContact CA-OD1 3.28Å; P1105-N1191 WeakPolarHBondContact CA-OD1 3.37Å; N1191-I1254 PolarHBondContact N-O 2.98Å; N1191-I1254 PolarHBondContact O-N 2.97Å |
| 1192 | W | 80.2 | Confident | 80.3 | Confident | 21.8 Ų | 21.8 | 33.2 Ų | 33.2 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 148.4 | 172.5 | 59.4 | -84.6 | 0 | 0 | 0 | 112.5 | P1092 V1103 Y1104 L1111 F1194 V1251 C1252 F1253 T1615 F1617 | P1092-W1192 HydrophobicContact CB-CD2 3.96Å; P1092-W1192 HydrophobicContact CB-CE3 4.09Å; P1092-W1192 HydrophobicContact CB-CH2 3.56Å; P1092-W1192 HydrophobicContact CB-CZ2 3.5Å; P1092-W1192 HydrophobicContact CB-CZ3 3.98Å; P1092-W1192 HydrophobicContact CG-CH2 4.23Å; P1092-W1192 HydrophobicContact CG-CZ2 4.09Å; V1103-W1192 CarbonylContact C-O 3.6Å; V1103-W1192 WeakPolarHBondContact CA-O 3.38Å; V1103-W1192 WeakPolarHBondContact CG1-O 3.45Å; Y1104-W1192 VanDerWaalsContact CB-CZ2 3.46Å; Y1104-W1192 HydrophobicContact CD1-CH2 4.31Å; Y1104-W1192 HydrophobicContact CD1-CZ2 4.29Å; Y1104-W1192 HydrophobicContact CD2-CD2 4.23Å; Y1104-W1192 AromaticContact CD2-CE3 3.82Å; Y1104-W1192 HydrophobicContact CD2-CE3 3.91Å; Y1104-W1192 AromaticContact CD2-CH2 3.34Å; Y1104-W1192 HydrophobicContact CD2-CH2 3.34Å; Y1104-W1192 AromaticContact CD2-CZ2 3.81Å; Y1104-W1192 HydrophobicContact CD2-CZ2 3.81Å; Y1104-W1192 AromaticContact CD2-CZ3 3.4Å; Y1104-W1192 HydrophobicContact CD2-CZ3 3.4Å; Y1104-W1192 VanDerWaalsContact CD2-CZ3 3.45Å; Y1104-W1192 AromaticContact CE2-CH2 3.84Å; Y1104-W1192 HydrophobicContact CE2-CH2 3.91Å; Y1104-W1192 AromaticContact CE2-CZ3 3.81Å; Y1104-W1192 HydrophobicContact CE2-CZ3 3.96Å; Y1104-W1192 HydrophobicContact CG-CD2 4.39Å; Y1104-W1192 AromaticContact CG-CE2 3.91Å; Y1104-W1192 HydrophobicContact CG-CE3 4.4Å; Y1104-W1192 AromaticContact CG-CH2 3.58Å; Y1104-W1192 HydrophobicContact CG-CH2 3.58Å; Y1104-W1192 VanDerWaalsContact CG-CH2 3.49Å; Y1104-W1192 AromaticContact CG-CZ2 3.57Å; Y1104-W1192 HydrophobicContact CG-CZ2 3.57Å; Y1104-W1192 VanDerWaalsContact CG-CZ2 3.45Å; Y1104-W1192 AromaticContact CG-CZ3 3.98Å; Y1104-W1192 HydrophobicContact CG-CZ3 4.07Å; Y1104-W1192 PolarHBondContact N-O 3.17Å; Y1104-W1192 PolarHBondContact O-N 2.91Å; L1111-W1192 HydrophobicContact CG-CH2 4.08Å; W1192-F1194 HydrophobicContact CE3-CB 4.49Å; W1192-F1194 HydrophobicContact CZ3-CB 4.24Å; W1192-F1194 HydrophobicContact CZ3-CD2 4.43Å; W1192-V1251 HydrophobicContact CB-CG1 4.34Å; W1192-V1251 HydrophobicContact CD2-CG1 4.39Å; W1192-V1251 HydrophobicContact CE3-CG1 3.94Å; W1192-C1252 CarbonylContact C-O 3.46Å; W1192-C1252 WeakPolarHBondContact CA-O 3.33Å; W1192-C1252 WeakPolarHBondContact CB-O 3.29Å; W1192-F1253 HydrophobicContact CB-CD1 3.62Å; W1192-F1253 HydrophobicContact CB-CE1 4.03Å; W1192-F1253 HydrophobicContact CB-CG 4.24Å; W1192-F1253 HydrophobicContact CG-CD1 4.27Å; W1192-F1253 HydrophobicContact CG-CE1 4.29Å; W1192-T1615 WeakPolarHBondContact CH2-O 3.27Å; W1192-F1617 AromaticContact CD2-CE2 3.84Å; W1192-F1617 HydrophobicContact CD2-CE2 3.94Å; W1192-F1617 AromaticContact CE2-CD2 3.98Å; W1192-F1617 AromaticContact CE2-CE2 3.58Å; W1192-F1617 AromaticContact CE3-CE2 3.91Å; W1192-F1617 HydrophobicContact CE3-CE2 4.06Å; W1192-F1617 HydrophobicContact CE3-CZ 4.41Å; W1192-F1617 AromaticContact CH2-CD2 3.96Å; W1192-F1617 HydrophobicContact CH2-CD2 3.98Å; W1192-F1617 AromaticContact CH2-CE2 3.51Å; W1192-F1617 HydrophobicContact CH2-CE2 3.51Å; W1192-F1617 VanDerWaalsContact CH2-CE2 3.47Å; W1192-F1617 HydrophobicContact CH2-CZ 4.15Å; W1192-F1617 AromaticContact CZ2-CD2 3.6Å; W1192-F1617 HydrophobicContact CZ2-CD2 3.6Å; W1192-F1617 AromaticContact CZ2-CE2 3.36Å; W1192-F1617 HydrophobicContact CZ2-CE2 3.36Å; W1192-F1617 HydrophobicContact CZ2-CZ 4.41Å; W1192-F1617 AromaticContact CZ3-CE2 3.85Å; W1192-F1617 HydrophobicContact CZ3-CE2 3.85Å; W1192-F1617 HydrophobicContact CZ3-CZ 4.19Å |
| 1193 | V | 81 | Confident | 80.1 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.8 | -175.7 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | L1085 L1095 Y1101 F1102 V1103 V1251 C1252 I1254 | L1085-V1193 HydrophobicContact CD1-CG2 4.25Å; L1095-V1193 HydrophobicContact CD1-CG1 4.04Å; L1095-V1193 HydrophobicContact CG-CG1 3.93Å; Y1101-V1193 HydrophobicContact CD1-CG1 4.01Å; Y1101-V1193 HydrophobicContact CG-CG1 4.42Å; F1102-V1193 CarbonylContact O-C 3.53Å; F1102-V1193 VanDerWaalsContact O-CA 3.31Å; F1102-V1193 WeakPolarHBondContact O-CA 3.44Å; V1103-V1193 HydrophobicContact CB-CG2 4.3Å; V1103-V1193 HydrophobicContact CG1-CG2 4.09Å; V1103-V1193 HydrophobicContact CG2-CB 4.48Å; V1103-V1193 HydrophobicContact CG2-CG1 4.14Å; V1103-V1193 HydrophobicContact CG2-CG2 4.02Å; V1193-V1251 CarbonylContact O-C 3.58Å; V1193-V1251 WeakPolarHBondContact O-CA 3.39Å; V1193-C1252 HydrophobicContact CB-CB 4.24Å; V1193-C1252 PolarHBondContact N-O 3.09Å; V1193-C1252 PolarHBondContact O-N 3.08Å; V1193-I1254 HydrophobicContact CG2-CD1 3.98Å |
| 1194 | F | 80.2 | Confident | 80.2 | Confident | 31.2 Ų | 31.2 | 34.5 Ų | 34.5 | 14% | 0.137 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123.9 | 174.8 | -168.8 | -81.4 | 0 | 0 | 0 | 110.7 | Y1101 F1102 Y1104 W1192 K1196 K1249 V1251 A1269 | Y1101-F1194 VanDerWaalsContact CA-O 3.3Å; Y1101-F1194 WeakPolarHBondContact CA-O 3.28Å; F1102-F1194 HydrophobicContact CB-CB 4.34Å; F1102-F1194 HydrophobicContact CD2-CD1 4.33Å; F1102-F1194 PolarHBondContact N-O 2.81Å; F1102-F1194 PolarHBondContact O-N 2.9Å; Y1104-F1194 HydrophobicContact CE2-CB 4.12Å; W1192-F1194 HydrophobicContact CE3-CB 4.49Å; W1192-F1194 HydrophobicContact CZ3-CB 4.24Å; W1192-F1194 HydrophobicContact CZ3-CD2 4.43Å; F1194-K1196 HydrophobicContact CD1-CB 4.23Å; F1194-K1196 HydrophobicContact CD1-CD 4.3Å; F1194-K1196 HydrophobicContact CD1-CG 3.91Å; F1194-K1196 HydrophobicContact CE1-CB 3.77Å; F1194-K1196 HydrophobicContact CE1-CD 4.36Å; F1194-K1196 HydrophobicContact CE1-CG 4.02Å; F1194-K1196 HydrophobicContact CG-CG 4.36Å; F1194-K1196 PolarHBondContact O-N 3.12Å; F1194-K1249 HydrophobicContact CE1-CB 4.14Å; F1194-K1249 HydrophobicContact CE1-CD 3.94Å; F1194-K1249 HydrophobicContact CE1-CG 4.23Å; F1194-K1249 HydrophobicContact CZ-CB 4.23Å; F1194-K1249 HydrophobicContact CZ-CD 3.76Å; F1194-V1251 HydrophobicContact CD2-CG2 3.64Å; F1194-V1251 HydrophobicContact CE2-CG2 4.08Å; F1194-V1251 HydrophobicContact CG-CG2 4.38Å; F1194-A1269 HydrophobicContact CD2-CB 4.4Å; F1194-A1269 HydrophobicContact CE1-CB 4.13Å; F1194-A1269 HydrophobicContact CE2-CB 3.65Å; F1194-A1269 HydrophobicContact CZ-CB 3.91Å; F1194-A1269 VanDerWaalsContact CZ-CB 3.45Å |
| 1195 | I | 81.7 | Confident | 80.3 | Confident | 4.2 Ų | 4.2 | 33.7 Ų | 33.7 | 2% | 0.022 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 102.9 | 179.8 | -49.6 | -178.9 | 0 | 0 | 0 | 109.1 | Y1101 L1142 L1201 L1204 L1250 C1252 L1266 | Y1101-I1195 HydrophobicContact CD1-CB 4.11Å; Y1101-I1195 HydrophobicContact CD1-CG1 3.93Å; Y1101-I1195 HydrophobicContact CD1-CG2 4.25Å; Y1101-I1195 HydrophobicContact CE1-CB 4.26Å; Y1101-I1195 HydrophobicContact CE1-CD1 4.08Å; Y1101-I1195 HydrophobicContact CE1-CG1 3.8Å; Y1101-I1195 HydrophobicContact CE1-CG2 3.77Å; Y1101-I1195 VanDerWaalsContact CE1-CG2 3.46Å; L1142-I1195 HydrophobicContact CD1-CD1 3.97Å; I1195-L1201 HydrophobicContact CB-CD2 4.07Å; I1195-L1201 HydrophobicContact CG2-CB 4.27Å; I1195-L1201 HydrophobicContact CG2-CD1 3.92Å; I1195-L1201 HydrophobicContact CG2-CD2 3.71Å; I1195-L1201 HydrophobicContact CG2-CG 4.24Å; I1195-L1204 HydrophobicContact CD1-CD2 3.64Å; I1195-L1250 WeakPolarHBondContact CA-O 3.19Å; I1195-L1250 HydrophobicContact CB-CB 4.35Å; I1195-L1250 VanDerWaalsContact CB-O 3.3Å; I1195-L1250 WeakPolarHBondContact CB-O 3.32Å; I1195-L1250 HydrophobicContact CD1-CB 4.17Å; I1195-L1250 HydrophobicContact CG1-CB 4.38Å; I1195-L1250 WeakPolarHBondContact CG1-O 2.98Å; I1195-L1250 PolarHBondContact N-O 3.2Å; I1195-C1252 HydrophobicContact CD1-CB 4.41Å; I1195-L1266 HydrophobicContact CD1-CD2 4.11Å |
| 1196 | K | 71.5 | Confident | 80.4 | Confident | 75.2 Ų | 75.2 | 36.2 Ų | 36.2 | 33% | 0.327 | 18% | 0.175 | S | C | . | . | trans | -78.7 | -174 | 179.3 | -88.2 | -173.1 | 176.6 | 177.9 | 0 | 112.5 | V1094 N1096 E1099 E1100 F1102 F1194 S1198 | V1094-K1196 HydrophobicContact CG1-CD 3.79Å; V1094-K1196 HydrophobicContact CG1-CG 4.45Å; N1096-K1196 PolarHBondContact OD1-NZ 3.26Å; E1099-K1196 WeakPolarHBondContact O-CD 3.37Å; E1099-K1196 IonicContact OE2-NZ 3.76Å; E1099-K1196 PolarHBondContact OE2-NZ 3.26Å; E1100-K1196 WeakPolarHBondContact O-CA 3.38Å; E1100-K1196 WeakPolarHBondContact O-CB 3.09Å; E1100-K1196 PolarHBondContact O-N 3.08Å; F1102-K1196 HydrophobicContact CD2-CB 4.34Å; F1102-K1196 HydrophobicContact CD2-CD 4.06Å; F1102-K1196 HydrophobicContact CD2-CG 4.43Å; F1102-K1196 HydrophobicContact CE2-CB 4Å; F1102-K1196 HydrophobicContact CE2-CD 3.68Å; F1102-K1196 VanDerWaalsContact CE2-CD 3.46Å; F1102-K1196 HydrophobicContact CE2-CG 4.28Å; F1102-K1196 HydrophobicContact CZ-CD 4.03Å; F1102-K1196 VanDerWaalsContact CZ-NZ 3.25Å; F1194-K1196 HydrophobicContact CD1-CB 4.23Å; F1194-K1196 HydrophobicContact CD1-CD 4.3Å; F1194-K1196 HydrophobicContact CD1-CG 3.91Å; F1194-K1196 HydrophobicContact CE1-CB 3.77Å; F1194-K1196 HydrophobicContact CE1-CD 4.36Å; F1194-K1196 HydrophobicContact CE1-CG 4.02Å; F1194-K1196 HydrophobicContact CG-CG 4.36Å; F1194-K1196 PolarHBondContact O-N 3.12Å; K1196-S1198 PolarHBondContact O-N 3Å; K1196-S1198 VanDerWaalsContact O-N 3.14Å; K1196-S1198 PolarHBondContact O-OG 3.22Å | ||
| 1197 | Q | 73 | Confident | 80.4 | Confident | 52.8 Ų | 52.8 | 36.6 Ų | 36.6 | 25% | 0.247 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -66 | 117.2 | -177.7 | -149.4 | 111.8 | 22.9 | 0 | 0 | 111.2 | E1100 N1199 K1200 L1201 Y1233 L1247 | E1100-Q1197 HydrophobicContact CB-CB 3.79Å; E1100-Q1197 VanDerWaalsContact CD-NE2 3.32Å; E1100-Q1197 HydrophobicContact CG-CB 3.91Å; E1100-Q1197 HydrophobicContact CG-CG 4.1Å; E1100-Q1197 VanDerWaalsContact CG-NE2 3.31Å; E1100-Q1197 VanDerWaalsContact OE1-CD 3.29Å; E1100-Q1197 PolarHBondContact OE1-NE2 3.2Å; E1100-Q1197 PolarHBondContact OE1-OE1 3.18Å; E1100-Q1197 PolarHBondContact OE2-NE2 2.96Å; Q1197-N1199 VanDerWaalsContact C-N 3.27Å; Q1197-N1199 PolarHBondContact O-N 3.28Å; Q1197-N1199 VanDerWaalsContact O-N 3.17Å; Q1197-K1200 HydrophobicContact CB-CB 4.37Å; Q1197-K1200 HydrophobicContact CB-CG 4.38Å; Q1197-K1200 PolarHBondContact O-N 3.01Å; Q1197-K1200 VanDerWaalsContact O-N 3.08Å; Q1197-L1201 WeakPolarHBondContact O-CG 3.41Å; Q1197-L1201 PolarHBondContact O-N 2.91Å; Q1197-Y1233 VanDerWaalsContact NE2-CE2 3.3Å; Q1197-Y1233 PolarHBondContact NE2-OH 3.23Å; Q1197-Y1233 VanDerWaalsContact NE2-OH 3.1Å; Q1197-L1247 VanDerWaalsContact OE1-N 3.17Å; Q1197-L1247 PolarHBondContact OE1-O 2.88Å; Q1197-L1247 VanDerWaalsContact OE1-O 3.08Å |
| 1198 | S | 71.5 | Confident | 80.7 | Confident | 26.2 Ų | 26.2 | 30.5 Ų | 30.5 | 18% | 0.183 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -125.1 | -154.2 | -174.3 | 70.4 | 0 | 0 | 0 | 0 | 115 | E1097 E1100 K1196 K1200 L1201 Y1202 Y1233 | E1097-S1198 WeakPolarHBondContact OE1-CB 3.11Å; E1097-S1198 PolarHBondContact OE1-OG 3.28Å; E1097-S1198 WeakPolarHBondContact OE2-CB 3.37Å; E1100-S1198 VanDerWaalsContact CG-CB 3.46Å; E1100-S1198 WeakPolarHBondContact OE1-CB 3.27Å; E1100-S1198 WeakPolarHBondContact OE2-CB 3.37Å; E1100-S1198 PolarHBondContact OE2-OG 2.93Å; K1196-S1198 PolarHBondContact O-N 3Å; K1196-S1198 VanDerWaalsContact O-N 3.14Å; K1196-S1198 PolarHBondContact O-OG 3.22Å; S1198-K1200 VanDerWaalsContact C-N 3.32Å; S1198-K1200 PolarHBondContact O-N 3.35Å; S1198-K1200 PolarHBondContact OG-N 2.89Å; S1198-K1200 VanDerWaalsContact OG-N 3.14Å; S1198-L1201 WeakPolarHBondContact O-CB 3.01Å; S1198-L1201 PolarHBondContact O-N 2.88Å; S1198-L1201 PolarHBondContact OG-N 3.17Å; S1198-L1201 VanDerWaalsContact OG-N 3.16Å; S1198-Y1202 WeakPolarHBondContact O-CB 3.28Å; S1198-Y1202 PolarHBondContact O-N 3.28Å; S1198-Y1233 WeakPolarHBondContact CB-OH 2.92Å; S1198-Y1233 PolarHBondContact O-OH 3.11Å; S1198-Y1233 VanDerWaalsContact O-OH 3.11Å; S1198-Y1233 PolarHBondContact OG-OH 2.8Å; S1198-Y1233 VanDerWaalsContact OG-OH 3.09Å |
| 1199 | N | 73.4 | Confident | 81.1 | Confident | 64.4 Ų | 64.4 | 27.6 Ų | 27.6 | 34% | 0.344 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66.1 | -44.5 | 171.7 | -85 | 4.4 | 0 | 0 | 0 | 111.7 | D1018 Q1197 L1201 Y1202 H1203 R1237 | D1018-N1199 PolarHBondContact OD2-ND2 3.46Å; Q1197-N1199 VanDerWaalsContact C-N 3.27Å; Q1197-N1199 PolarHBondContact O-N 3.28Å; Q1197-N1199 VanDerWaalsContact O-N 3.17Å; N1199-L1201 VanDerWaalsContact C-N 3.31Å; N1199-L1201 PolarHBondContact O-N 3.23Å; N1199-Y1202 WeakPolarHBondContact O-CB 3.32Å; N1199-Y1202 PolarHBondContact O-N 2.94Å; N1199-Y1202 VanDerWaalsContact O-N 3.14Å; N1199-H1203 PolarHBondContact O-CD2 3.13Å; N1199-H1203 PolarHBondContact O-N 2.9Å; N1199-R1237 VanDerWaalsContact CA-NH2 3.35Å; N1199-R1237 PolarHBondContact ND2-NH1 3.04Å; N1199-R1237 VanDerWaalsContact ND2-NH1 3.11Å; N1199-R1237 VanDerWaalsContact OD1-CZ 3.23Å; N1199-R1237 PolarHBondContact OD1-NE 3.38Å; N1199-R1237 PolarHBondContact OD1-NH1 3.24Å; N1199-R1237 PolarHBondContact OD1-NH2 3.13Å |
| 1200 | K | 74 | Confident | 81.3 | Confident | 45.2 Ų | 45.2 | 30.3 Ų | 30.3 | 20% | 0.197 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.7 | -36.4 | 178.5 | -66.2 | -160.6 | -179.8 | 176.5 | 0 | 111.5 | E1100 Y1101 N1138 F1140 S1141 Q1197 S1198 Y1202 H1203 L1204 | E1100-K1200 WeakPolarHBondContact OE1-CE 3.48Å; E1100-K1200 IonicContact OE1-NZ 3.47Å; E1100-K1200 PolarHBondContact OE1-NZ 3.26Å; E1100-K1200 VanDerWaalsContact OE2-CE 3.31Å; E1100-K1200 WeakPolarHBondContact OE2-CE 3.38Å; E1100-K1200 IonicContact OE2-NZ 2.74Å; Y1101-K1200 HydrophobicContact CE2-CD 3.61Å; Y1101-K1200 HydrophobicContact CE2-CG 4.36Å; Y1101-K1200 WeakPolarHBondContact OH-CB 3.37Å; Y1101-K1200 WeakPolarHBondContact OH-CD 3.32Å; N1138-K1200 PolarHBondContact ND2-NZ 3.21Å; N1138-K1200 VanDerWaalsContact ND2-NZ 3.15Å; F1140-K1200 PolarHBondContact O-NZ 3.04Å; F1140-K1200 VanDerWaalsContact O-NZ 3.14Å; S1141-K1200 PolarHBondContact OG-NZ 3.37Å; Q1197-K1200 HydrophobicContact CB-CB 4.37Å; Q1197-K1200 HydrophobicContact CB-CG 4.38Å; Q1197-K1200 PolarHBondContact O-N 3.01Å; Q1197-K1200 VanDerWaalsContact O-N 3.08Å; S1198-K1200 VanDerWaalsContact C-N 3.32Å; S1198-K1200 PolarHBondContact O-N 3.35Å; S1198-K1200 PolarHBondContact OG-N 2.89Å; S1198-K1200 VanDerWaalsContact OG-N 3.14Å; K1200-Y1202 VanDerWaalsContact C-N 3.33Å; K1200-Y1202 PolarHBondContact O-N 3.06Å; K1200-H1203 PolarHBondContact O-N 3.09Å; K1200-L1204 VanDerWaalsContact O-CB 3.31Å; K1200-L1204 WeakPolarHBondContact O-CB 3.42Å; K1200-L1204 PolarHBondContact O-N 3.07Å |
| 1201 | L | 84.1 | Confident | 81.5 | Confident | 0.8 Ų | 0.8 | 28.6 Ų | 28.6 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 172.7 | -162.8 | 78.1 | 0 | 0 | 0 | 112.1 | I1195 Q1197 S1198 N1199 L1204 W1205 L1247 K1249 L1250 | I1195-L1201 HydrophobicContact CB-CD2 4.07Å; I1195-L1201 HydrophobicContact CG2-CB 4.27Å; I1195-L1201 HydrophobicContact CG2-CD1 3.92Å; I1195-L1201 HydrophobicContact CG2-CD2 3.71Å; I1195-L1201 HydrophobicContact CG2-CG 4.24Å; Q1197-L1201 WeakPolarHBondContact O-CG 3.41Å; Q1197-L1201 PolarHBondContact O-N 2.91Å; S1198-L1201 WeakPolarHBondContact O-CB 3.01Å; S1198-L1201 PolarHBondContact O-N 2.88Å; S1198-L1201 PolarHBondContact OG-N 3.17Å; S1198-L1201 VanDerWaalsContact OG-N 3.16Å; N1199-L1201 VanDerWaalsContact C-N 3.31Å; N1199-L1201 PolarHBondContact O-N 3.23Å; L1201-L1204 PolarHBondContact O-N 3.15Å; L1201-W1205 WeakPolarHBondContact O-CB 3.32Å; L1201-W1205 VanDerWaalsContact O-CD1 3.25Å; L1201-W1205 PolarHBondContact O-N 3.08Å; L1201-L1247 HydrophobicContact CB-CD1 4.32Å; L1201-L1247 HydrophobicContact CD2-CB 4.06Å; L1201-L1247 HydrophobicContact CG-CD1 4.49Å; L1201-K1249 HydrophobicContact CD1-CG 4.25Å; L1201-L1250 HydrophobicContact CD1-CB 4.38Å; L1201-L1250 HydrophobicContact CD1-CD1 4.04Å; L1201-L1250 HydrophobicContact CD1-CG 4.18Å; L1201-L1250 HydrophobicContact CD2-CB 4.15Å; L1201-L1250 HydrophobicContact CD2-CD1 4.31Å; L1201-L1250 HydrophobicContact CD2-CG 4.27Å |
| 1202 | Y | 86.1 | Confident | 81.7 | Confident | 28.2 Ų | 28.2 | 28.4 Ų | 28.4 | 11% | 0.111 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -50.1 | 174.1 | 168.2 | -95 | 0 | 0 | 0 | 111.9 | S1198 N1199 K1200 L1204 W1205 N1206 L1230 Y1233 H1234 L1247 | S1198-Y1202 WeakPolarHBondContact O-CB 3.28Å; S1198-Y1202 PolarHBondContact O-N 3.28Å; N1199-Y1202 WeakPolarHBondContact O-CB 3.32Å; N1199-Y1202 PolarHBondContact O-N 2.94Å; N1199-Y1202 VanDerWaalsContact O-N 3.14Å; K1200-Y1202 VanDerWaalsContact C-N 3.33Å; K1200-Y1202 PolarHBondContact O-N 3.06Å; Y1202-L1204 VanDerWaalsContact C-N 3.29Å; Y1202-L1204 PolarHBondContact O-N 3.15Å; Y1202-W1205 PolarHBondContact O-N 3.11Å; Y1202-N1206 WeakPolarHBondContact O-CA 3.41Å; Y1202-N1206 VanDerWaalsContact O-CB 3.31Å; Y1202-N1206 WeakPolarHBondContact O-CB 3.28Å; Y1202-N1206 PolarHBondContact O-N 3.21Å; Y1202-L1230 HydrophobicContact CD2-CD1 3.9Å; Y1202-L1230 VanDerWaalsContact CD2-CD1 3.41Å; Y1202-L1230 HydrophobicContact CD2-CD2 3.54Å; Y1202-L1230 HydrophobicContact CD2-CG 3.81Å; Y1202-L1230 HydrophobicContact CE2-CB 4.28Å; Y1202-L1230 HydrophobicContact CE2-CD1 3.75Å; Y1202-L1230 HydrophobicContact CE2-CD2 3.74Å; Y1202-L1230 VanDerWaalsContact CE2-CD2 3.47Å; Y1202-L1230 HydrophobicContact CE2-CG 3.92Å; Y1202-L1230 WeakPolarHBondContact CE2-O 3.29Å; Y1202-L1230 HydrophobicContact CG-CD1 4.35Å; Y1202-L1230 HydrophobicContact CG-CD2 4.24Å; Y1202-Y1233 AromaticContact CD2-CD1 3.64Å; Y1202-Y1233 HydrophobicContact CD2-CD1 3.64Å; Y1202-Y1233 VanDerWaalsContact CD2-CD1 3.45Å; Y1202-Y1233 AromaticContact CD2-CE1 3.92Å; Y1202-Y1233 HydrophobicContact CD2-CE1 4.26Å; Y1202-Y1233 HydrophobicContact CD2-CG 4.49Å; Y1202-Y1233 HydrophobicContact CE2-CD1 4.35Å; Y1202-Y1233 HydrophobicContact CG-CD1 4.18Å; Y1202-Y1233 HydrophobicContact CG-CE1 4.3Å; Y1202-H1234 HydrophobicContact CE2-CB 4.06Å; Y1202-H1234 AromaticContact CZ-CD2 3.77Å; Y1202-H1234 AromaticContact CZ-ND1 3.64Å; Y1202-H1234 PolarHBondContact OH-CD2 3.04Å; Y1202-H1234 PolarHBondContact OH-ND1 3.49Å; Y1202-L1247 HydrophobicContact CD2-CD1 4.49Å |
| 1203 | H | 83.6 | Confident | 81.8 | Confident | 76.2 Ų | 76.2 | 31.8 Ų | 31.8 | 35% | 0.353 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.3 | -35.7 | 179.9 | -66.6 | -62.3 | 0 | 0 | 0 | 112.4 | H1143 N1199 K1200 N1206 L1207 | H1143-H1203 HydrophobicContact CB-CB 4.29Å; H1143-H1203 PolarHBondContact CD2-O 3Å; N1199-H1203 PolarHBondContact O-CD2 3.13Å; N1199-H1203 PolarHBondContact O-N 2.9Å; K1200-H1203 PolarHBondContact O-N 3.09Å; H1203-N1206 WeakPolarHBondContact O-CA 3.19Å; H1203-N1206 PolarHBondContact O-N 3.23Å; H1203-L1207 WeakPolarHBondContact O-CB 3.4Å; H1203-L1207 PolarHBondContact O-N 3.26Å |
| 1204 | L | 87 | Confident | 81.7 | Confident | 2.2 Ų | 2.2 | 37.3 Ų | 37.3 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -53 | 175.8 | -179.4 | 60.4 | 0 | 0 | 0 | 111.5 | H1143 L1146 I1195 K1200 L1201 Y1202 N1206 L1207 I1208 L1250 L1266 | H1143-L1204 HydrophobicContact CB-CB 4.29Å; H1143-L1204 HydrophobicContact CB-CD1 4.48Å; L1146-L1204 HydrophobicContact CD1-CD1 3.14Å; I1195-L1204 HydrophobicContact CD1-CD2 3.64Å; K1200-L1204 VanDerWaalsContact O-CB 3.31Å; K1200-L1204 WeakPolarHBondContact O-CB 3.42Å; K1200-L1204 PolarHBondContact O-N 3.07Å; L1201-L1204 PolarHBondContact O-N 3.15Å; Y1202-L1204 VanDerWaalsContact C-N 3.29Å; Y1202-L1204 PolarHBondContact O-N 3.15Å; L1204-N1206 VanDerWaalsContact C-N 3.34Å; L1204-N1206 PolarHBondContact O-N 2.99Å; L1204-L1207 PolarHBondContact O-N 3.26Å; L1204-I1208 HydrophobicContact CD1-CD1 3.98Å; L1204-I1208 HydrophobicContact CD1-CG1 4.41Å; L1204-I1208 HydrophobicContact CG-CD1 3.99Å; L1204-I1208 WeakPolarHBondContact O-CB 3.28Å; L1204-I1208 VanDerWaalsContact O-CG1 3.31Å; L1204-I1208 WeakPolarHBondContact O-CG1 3.35Å; L1204-I1208 PolarHBondContact O-N 3.18Å; L1204-L1250 HydrophobicContact CD2-CD1 3.77Å; L1204-L1250 HydrophobicContact CG-CD1 4.3Å; L1204-L1266 HydrophobicContact CD1-CD1 4.35Å; L1204-L1266 HydrophobicContact CD2-CD1 4.43Å |
| 1205 | W | 89.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -41.9 | 174.9 | -86.1 | 115.6 | 0 | 0 | 0 | 112 | L1201 Y1202 L1207 I1208 L1209 W1222 M1226 L1230 P1248 L1250 L1277 F1308 | L1201-W1205 WeakPolarHBondContact O-CB 3.32Å; L1201-W1205 VanDerWaalsContact O-CD1 3.25Å; L1201-W1205 PolarHBondContact O-N 3.08Å; Y1202-W1205 PolarHBondContact O-N 3.11Å; W1205-L1207 VanDerWaalsContact C-N 3.3Å; W1205-L1207 PolarHBondContact O-N 3.16Å; W1205-I1208 HydrophobicContact CE3-CG2 4.37Å; W1205-I1208 HydrophobicContact CZ3-CG2 4.49Å; W1205-I1208 PolarHBondContact O-N 3.03Å; W1205-L1209 HydrophobicContact CE3-CD2 4.33Å; W1205-L1209 HydrophobicContact CE3-CG 4.42Å; W1205-L1209 HydrophobicContact CZ3-CD2 4.5Å; W1205-L1209 WeakPolarHBondContact O-CB 3.43Å; W1205-L1209 VanDerWaalsContact O-CG 3.27Å; W1205-L1209 WeakPolarHBondContact O-CG 3.33Å; W1205-L1209 PolarHBondContact O-N 3.24Å; W1205-W1222 HydrophobicContact CZ3-CH2 4.39Å; W1205-W1222 HydrophobicContact CZ3-CZ3 4.34Å; W1205-M1226 HydrophobicContact CB-CE 4.12Å; W1205-M1226 HydrophobicContact CD2-CE 3.71Å; W1205-M1226 VanDerWaalsContact CD2-CE 3.48Å; W1205-M1226 HydrophobicContact CE3-CE 4.17Å; W1205-M1226 HydrophobicContact CE3-CG 4.48Å; W1205-M1226 HydrophobicContact CG-CE 3.84Å; W1205-M1226 VanDerWaalsContact CG-CE 3.5Å; W1205-M1226 HydrophobicContact CZ2-CE 4.36Å; W1205-M1226 HydrophobicContact CZ3-CE 4.41Å; W1205-L1230 HydrophobicContact CB-CD1 3.96Å; W1205-L1230 VanDerWaalsContact CB-CD1 3.43Å; W1205-L1230 HydrophobicContact CB-CD2 4.05Å; W1205-L1230 HydrophobicContact CG-CD1 4.39Å; W1205-P1248 HydrophobicContact CZ2-CB 3.92Å; W1205-P1248 HydrophobicContact CZ2-CG 4.39Å; W1205-P1248 PolarHBondContact NE1-O 3.03Å; W1205-L1250 HydrophobicContact CD2-CD1 4.48Å; W1205-L1250 HydrophobicContact CH2-CD2 4.23Å; W1205-L1250 HydrophobicContact CZ2-CD1 4.13Å; W1205-L1250 HydrophobicContact CZ2-CD2 3.63Å; W1205-L1250 HydrophobicContact CZ2-CG 3.98Å; W1205-L1277 HydrophobicContact CH2-CD2 3.97Å; W1205-L1277 HydrophobicContact CZ2-CD2 4.37Å; W1205-L1277 HydrophobicContact CZ3-CD2 4.38Å; W1205-F1308 AromaticContact CH2-CE2 3.97Å; W1205-F1308 HydrophobicContact CH2-CE2 4.07Å; W1205-F1308 HydrophobicContact CH2-CZ 4.39Å; W1205-F1308 AromaticContact CZ3-CE2 3.94Å; W1205-F1308 HydrophobicContact CZ3-CE2 4.02Å; W1205-F1308 AromaticContact CZ3-CZ 3.95Å; W1205-F1308 HydrophobicContact CZ3-CZ 4.03Å |
| 1206 | N | 87.5 | Confident | 81.4 | Confident | 55.4 Ų | 55.4 | 45.7 Ų | 45.7 | 30% | 0.296 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.6 | -48.8 | 175.7 | -169.7 | 64.6 | 0 | 0 | 0 | 111.9 | Y1202 H1203 L1204 L1209 L1210 L1230 | Y1202-N1206 WeakPolarHBondContact O-CA 3.41Å; Y1202-N1206 VanDerWaalsContact O-CB 3.31Å; Y1202-N1206 WeakPolarHBondContact O-CB 3.28Å; Y1202-N1206 PolarHBondContact O-N 3.21Å; H1203-N1206 WeakPolarHBondContact O-CA 3.19Å; H1203-N1206 PolarHBondContact O-N 3.23Å; L1204-N1206 VanDerWaalsContact C-N 3.34Å; L1204-N1206 PolarHBondContact O-N 2.99Å; N1206-L1209 PolarHBondContact O-N 2.94Å; N1206-L1210 WeakPolarHBondContact O-CB 3.42Å; N1206-L1210 WeakPolarHBondContact O-CD1 3.2Å; N1206-L1210 VanDerWaalsContact O-CG 3.22Å; N1206-L1210 WeakPolarHBondContact O-CG 3.42Å; N1206-L1210 PolarHBondContact O-N 3.15Å; N1206-L1230 VanDerWaalsContact CA-CD2 3.48Å; N1206-L1230 HydrophobicContact CB-CD1 3.91Å; N1206-L1230 HydrophobicContact CB-CD2 3.99Å; N1206-L1230 WeakPolarHBondContact OD1-CD2 3.39Å |
| 1207 | L | 84.8 | Confident | 81.9 | Confident | 23.6 Ų | 23.6 | 45.2 Ų | 45.2 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 178.8 | -176.5 | 68.8 | 0 | 0 | 0 | 112.1 | H1143 L1146 R1147 H1203 L1204 W1205 L1209 L1210 R1211 | H1143-L1207 VanDerWaalsContact O-CD2 3.22Å; H1143-L1207 WeakPolarHBondContact O-CD2 3.38Å; L1146-L1207 HydrophobicContact CB-CD2 3.52Å; L1146-L1207 VanDerWaalsContact CB-CD2 3.49Å; R1147-L1207 HydrophobicContact CG-CD1 3.97Å; R1147-L1207 HydrophobicContact CG-CD2 4.01Å; H1203-L1207 WeakPolarHBondContact O-CB 3.4Å; H1203-L1207 PolarHBondContact O-N 3.26Å; L1204-L1207 PolarHBondContact O-N 3.26Å; W1205-L1207 VanDerWaalsContact C-N 3.3Å; W1205-L1207 PolarHBondContact O-N 3.16Å; L1207-L1209 VanDerWaalsContact C-N 3.33Å; L1207-L1209 PolarHBondContact O-N 3.11Å; L1207-L1210 PolarHBondContact O-N 3.13Å; L1207-R1211 HydrophobicContact CD1-CG 4.27Å; L1207-R1211 WeakPolarHBondContact O-CG 3.29Å; L1207-R1211 PolarHBondContact O-N 3.28Å |
| 1208 | I | 87.7 | Confident | 82.2 | Confident | 2.2 Ų | 2.2 | 44.2 Ų | 44.2 | 1% | 0.011 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 178.8 | -70.5 | 168.8 | 0 | 0 | 0 | 110.8 | L1146 L1204 W1205 R1211 L1212 L1266 F1308 | L1146-I1208 HydrophobicContact CD1-CG1 4.46Å; L1204-I1208 HydrophobicContact CD1-CD1 3.98Å; L1204-I1208 HydrophobicContact CD1-CG1 4.41Å; L1204-I1208 HydrophobicContact CG-CD1 3.99Å; L1204-I1208 WeakPolarHBondContact O-CB 3.28Å; L1204-I1208 VanDerWaalsContact O-CG1 3.31Å; L1204-I1208 WeakPolarHBondContact O-CG1 3.35Å; L1204-I1208 PolarHBondContact O-N 3.18Å; W1205-I1208 HydrophobicContact CE3-CG2 4.37Å; W1205-I1208 HydrophobicContact CZ3-CG2 4.49Å; W1205-I1208 PolarHBondContact O-N 3.03Å; I1208-R1211 PolarHBondContact O-N 3.26Å; I1208-L1212 VanDerWaalsContact O-CB 3.31Å; I1208-L1212 WeakPolarHBondContact O-CB 3.34Å; I1208-L1212 PolarHBondContact O-N 3.14Å; I1208-L1266 HydrophobicContact CD1-CD1 4.09Å; I1208-F1308 HydrophobicContact CD1-CD2 4.15Å; I1208-F1308 HydrophobicContact CD1-CE2 4.25Å; I1208-F1308 HydrophobicContact CD1-CG 4.43Å; I1208-F1308 HydrophobicContact CD1-CZ 4.48Å; I1208-F1308 HydrophobicContact CG2-CD1 3.88Å; I1208-F1308 HydrophobicContact CG2-CD2 4.42Å; I1208-F1308 HydrophobicContact CG2-CE1 3.31Å; I1208-F1308 VanDerWaalsContact CG2-CE1 3.46Å; I1208-F1308 HydrophobicContact CG2-CE2 4Å; I1208-F1308 HydrophobicContact CG2-CG 4.34Å; I1208-F1308 HydrophobicContact CG2-CZ 3.38Å; I1208-F1308 VanDerWaalsContact CG2-CZ 3.41Å |
| 1209 | L | 87.2 | Confident | 82.5 | Confident | 4.4 Ų | 4.4 | 46.6 Ų | 46.6 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 179.2 | -67.6 | -171 | 0 | 0 | 0 | 112.5 | W1205 N1206 L1207 L1212 Q1213 W1222 L1223 M1226 L1230 | W1205-L1209 HydrophobicContact CE3-CD2 4.33Å; W1205-L1209 HydrophobicContact CE3-CG 4.42Å; W1205-L1209 HydrophobicContact CZ3-CD2 4.5Å; W1205-L1209 WeakPolarHBondContact O-CB 3.43Å; W1205-L1209 VanDerWaalsContact O-CG 3.27Å; W1205-L1209 WeakPolarHBondContact O-CG 3.33Å; W1205-L1209 PolarHBondContact O-N 3.24Å; N1206-L1209 PolarHBondContact O-N 2.94Å; L1207-L1209 VanDerWaalsContact C-N 3.33Å; L1207-L1209 PolarHBondContact O-N 3.11Å; L1209-L1212 PolarHBondContact O-N 3.03Å; L1209-Q1213 WeakPolarHBondContact O-CB 3.36Å; L1209-Q1213 VanDerWaalsContact O-CG 3.28Å; L1209-Q1213 WeakPolarHBondContact O-CG 3.31Å; L1209-Q1213 PolarHBondContact O-N 3.05Å; L1209-W1222 HydrophobicContact CD2-CH2 4.43Å; L1209-W1222 HydrophobicContact CD2-CZ3 3.78Å; L1209-L1223 HydrophobicContact CD2-CD1 3.69Å; L1209-L1223 HydrophobicContact CD2-CG 4.44Å; L1209-M1226 HydrophobicContact CD1-CB 4.34Å; L1209-M1226 HydrophobicContact CD1-CG 4.09Å; L1209-M1226 HydrophobicContact CD2-CG 4.22Å; L1209-L1230 HydrophobicContact CD1-CD1 3.47Å; L1209-L1230 HydrophobicContact CD1-CD2 3.97Å; L1209-L1230 HydrophobicContact CG-CD1 4.06Å |
| 1210 | L | 85.1 | Confident | 82.9 | Confident | 69.6 Ų | 69.6 | 44.1 Ų | 44.1 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.8 | -50 | 175.5 | -85.9 | 159.3 | 0 | 0 | 0 | 110.7 | N1206 L1207 L1212 Q1213 E1214 | N1206-L1210 WeakPolarHBondContact O-CB 3.42Å; N1206-L1210 WeakPolarHBondContact O-CD1 3.2Å; N1206-L1210 VanDerWaalsContact O-CG 3.22Å; N1206-L1210 WeakPolarHBondContact O-CG 3.42Å; N1206-L1210 PolarHBondContact O-N 3.15Å; L1207-L1210 PolarHBondContact O-N 3.13Å; L1210-L1212 PolarHBondContact O-N 2.89Å; L1210-Q1213 PolarHBondContact O-N 3.12Å; L1210-E1214 WeakPolarHBondContact O-CG 3.43Å; L1210-E1214 PolarHBondContact O-N 3.07Å; L1210-E1214 VanDerWaalsContact O-N 3.14Å |
| 1211 | R | 82.7 | Confident | 83 | Confident | 10.4 Ų | 10.4 | 42.4 Ų | 42.4 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 178.3 | -68.5 | -178.9 | 70.4 | 161.6 | 10 | 112.7 | L1146 C1149 L1151 L1207 I1208 Q1213 E1214 S1215 H1330 D1333 | L1146-R1211 PolarHBondContact O-NH1 2.94Å; C1149-R1211 VanDerWaalsContact O-CZ 3.3Å; C1149-R1211 PolarHBondContact O-NH1 3.2Å; C1149-R1211 PolarHBondContact O-NH2 3Å; L1151-R1211 VanDerWaalsContact CB-CZ 3.49Å; L1151-R1211 HydrophobicContact CD2-CB 4.09Å; L1207-R1211 HydrophobicContact CD1-CG 4.27Å; L1207-R1211 WeakPolarHBondContact O-CG 3.29Å; L1207-R1211 PolarHBondContact O-N 3.28Å; I1208-R1211 PolarHBondContact O-N 3.26Å; R1211-Q1213 VanDerWaalsContact C-N 3.31Å; R1211-Q1213 PolarHBondContact O-N 3.03Å; R1211-E1214 PolarHBondContact O-N 3.15Å; R1211-E1214 VanDerWaalsContact O-N 3.16Å; R1211-S1215 PolarHBondContact O-N 3.16Å; R1211-S1215 VanDerWaalsContact O-N 3.13Å; R1211-S1215 PolarHBondContact O-OG 3.04Å; R1211-H1330 PolarHBondContact NE-ND1 3.38Å; R1211-D1333 IonicContact CZ-OD1 3.28Å; R1211-D1333 IonicContact CZ-OD2 2.95Å; R1211-D1333 IonicContact NE-OD1 2.92Å; R1211-D1333 IonicContact NE-OD2 3.46Å; R1211-D1333 PolarHBondContact NE-OD2 3.14Å; R1211-D1333 IonicContact NH2-OD1 3.51Å; R1211-D1333 PolarHBondContact NH2-OD1 2.95Å; R1211-D1333 IonicContact NH2-OD2 3.35Å; R1211-D1333 PolarHBondContact NH2-OD2 3.11Å |
| 1212 | L | 83.5 | Confident | 83.1 | Confident | 1.2 Ų | 1.2 | 42.4 Ų | 42.4 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.5 | -32.9 | 177.1 | -171.9 | 65.1 | 0 | 0 | 0 | 111.9 | T1153 I1208 L1209 L1210 E1214 S1215 H1217 W1222 L1223 V1335 | T1153-L1212 HydrophobicContact CG2-CD1 4.07Å; T1153-L1212 WeakPolarHBondContact OG1-CD1 3.41Å; I1208-L1212 VanDerWaalsContact O-CB 3.31Å; I1208-L1212 WeakPolarHBondContact O-CB 3.34Å; I1208-L1212 PolarHBondContact O-N 3.14Å; L1209-L1212 PolarHBondContact O-N 3.03Å; L1210-L1212 PolarHBondContact O-N 2.89Å; L1212-E1214 VanDerWaalsContact C-N 3.3Å; L1212-E1214 PolarHBondContact O-N 3.18Å; L1212-S1215 WeakPolarHBondContact CA-OG 3.46Å; L1212-S1215 PolarHBondContact O-N 3.01Å; L1212-S1215 PolarHBondContact O-OG 3.26Å; L1212-S1215 VanDerWaalsContact O-OG 3.12Å; L1212-H1217 HydrophobicContact CD1-CB 4.33Å; L1212-H1217 PolarHBondContact O-CD2 3.12Å; L1212-W1222 HydrophobicContact CD2-CH2 3.83Å; L1212-W1222 HydrophobicContact CD2-CZ2 4.34Å; L1212-L1223 HydrophobicContact CB-CD1 4.5Å; L1212-L1223 HydrophobicContact CD2-CD1 4.01Å; L1212-L1223 HydrophobicContact CD2-CD2 4.46Å; L1212-L1223 HydrophobicContact CG-CD1 4.01Å; L1212-V1335 HydrophobicContact CD1-CG2 3.63Å |
| 1213 | Q | 82.7 | Confident | 83.2 | Confident | 92.8 Ų | 92.8 | 41.5 Ų | 41.5 | 43% | 0.434 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -74.5 | -24 | 175.9 | -76.4 | 175.6 | -8.1 | 0 | 0 | 113.3 | L1209 L1210 R1211 L1223 T1227 | L1209-Q1213 WeakPolarHBondContact O-CB 3.36Å; L1209-Q1213 VanDerWaalsContact O-CG 3.28Å; L1209-Q1213 WeakPolarHBondContact O-CG 3.31Å; L1209-Q1213 PolarHBondContact O-N 3.05Å; L1210-Q1213 PolarHBondContact O-N 3.12Å; R1211-Q1213 VanDerWaalsContact C-N 3.31Å; R1211-Q1213 PolarHBondContact O-N 3.03Å; Q1213-L1223 HydrophobicContact CG-CD1 4.42Å; Q1213-L1223 HydrophobicContact CG-CD2 4.17Å; Q1213-L1223 HydrophobicContact CG-CG 4.45Å; Q1213-T1227 PolarHBondContact NE2-OG1 3.06Å |
| 1214 | E | 79.4 | Confident | 83.2 | Confident | 117.8 Ų | 117.8 | 43 Ų | 43 | 55% | 0.55 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -85.7 | -18.3 | 177.2 | -71.8 | 178.6 | -174.5 | 0 | 0 | 113 | L927 L1210 R1211 L1212 H1330 | L927-E1214 WeakPolarHBondContact CD2-OE1 3.22Å; L1210-E1214 WeakPolarHBondContact O-CG 3.43Å; L1210-E1214 PolarHBondContact O-N 3.07Å; L1210-E1214 VanDerWaalsContact O-N 3.14Å; R1211-E1214 PolarHBondContact O-N 3.15Å; R1211-E1214 VanDerWaalsContact O-N 3.16Å; L1212-E1214 VanDerWaalsContact C-N 3.3Å; L1212-E1214 PolarHBondContact O-N 3.18Å; E1214-H1330 IonicContact OE2-CD2 3.31Å; E1214-H1330 PolarHBondContact OE2-CD2 2.98Å; E1214-H1330 IonicContact OE2-CG 3.28Å; E1214-H1330 IonicContact OE2-NE2 3.28Å; E1214-H1330 PolarHBondContact OE2-NE2 2.8Å |
| 1215 | S | 77.2 | Confident | 83.1 | Confident | 17.2 Ų | 17.2 | 43.9 Ų | 43.9 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -88.6 | 155.4 | 177.1 | 42.4 | 0 | 0 | 0 | 0 | 112.9 | R1211 L1212 H1217 D1333 | R1211-S1215 PolarHBondContact O-N 3.16Å; R1211-S1215 VanDerWaalsContact O-N 3.13Å; R1211-S1215 PolarHBondContact O-OG 3.04Å; L1212-S1215 WeakPolarHBondContact CA-OG 3.46Å; L1212-S1215 PolarHBondContact O-N 3.01Å; L1212-S1215 PolarHBondContact O-OG 3.26Å; L1212-S1215 VanDerWaalsContact O-OG 3.12Å; S1215-H1217 PolarHBondContact O-CD2 3.27Å; S1215-H1217 VanDerWaalsContact O-CD2 3.28Å; S1215-H1217 PolarHBondContact O-N 3.22Å; S1215-D1333 WeakPolarHBondContact CB-O 3.23Å |
| 1216 | E | 77.2 | Confident | 83 | Confident | 193.8 Ų | 193.8 | 43.9 Ų | 43.9 | 91% | 0.906 | 23% | 0.228 | S | C | * | . | trans | -71.9 | 118.1 | 169 | -69.2 | -169.3 | 170.3 | 0 | 0 | 109.5 | ||||
| 1217 | H | 81.4 | Confident | 83 | Confident | 63.8 Ų | 63.8 | 43.6 Ų | 43.6 | 30% | 0.295 | 23% | 0.228 | S | C | . | . | trans | -138.4 | 148.6 | -175.7 | 70.2 | 77.7 | 0 | 0 | 0 | 112.3 | L1212 S1215 V1335 | L1212-H1217 HydrophobicContact CD1-CB 4.33Å; L1212-H1217 PolarHBondContact O-CD2 3.12Å; S1215-H1217 PolarHBondContact O-CD2 3.27Å; S1215-H1217 VanDerWaalsContact O-CD2 3.28Å; S1215-H1217 PolarHBondContact O-N 3.22Å; H1217-V1335 HydrophobicContact CB-CB 4.13Å; H1217-V1335 HydrophobicContact CB-CG1 4.21Å; H1217-V1335 HydrophobicContact CB-CG2 3.78Å | ||
| 1218 | P | 80.7 | Confident | 83 | Confident | 32.8 Ų | 32.8 | 47.8 Ų | 47.8 | 21% | 0.213 | 25% | 0.245 | C | C | . | . | trans | -65.2 | 166.3 | 171.7 | 31.6 | -38.3 | 0 | 0 | 0 | 110.8 | L1155 V1220 V1335 D1337 | L1155-P1218 HydrophobicContact CD1-CG 3.77Å; P1218-V1220 VanDerWaalsContact O-CG2 3.29Å; P1218-V1220 WeakPolarHBondContact O-CG2 3.4Å; P1218-V1220 PolarHBondContact O-N 3.15Å; P1218-V1220 VanDerWaalsContact O-N 3.08Å; P1218-V1335 HydrophobicContact CG-CG1 4.36Å; P1218-D1337 VanDerWaalsContact CB-OD2 3.29Å; P1218-D1337 WeakPolarHBondContact CB-OD2 3.39Å; P1218-D1337 HydrophobicContact CG-CB 4.09Å; P1218-D1337 VanDerWaalsContact CG-OD2 3.29Å; P1218-D1337 WeakPolarHBondContact CG-OD2 3.37Å | ||
| 1219 | P | 76.9 | Confident | 83 | Confident | 77 Ų | 77 | 48.7 Ų | 48.7 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | trans | -59.4 | 115.7 | 177.9 | 21.5 | -31.5 | 0 | 0 | 0 | 111.6 | N1295 R1339 | P1219-N1295 HydrophobicContact CB-CB 4.26Å; P1219-N1295 HydrophobicContact CG-CB 4.38Å; P1219-R1339 PolarHBondContact O-NH1 3.29Å; P1219-R1339 VanDerWaalsContact O-NH1 3.16Å; P1219-R1339 PolarHBondContact O-NH2 3.01Å | ||
| 1220 | V | 81.5 | Confident | 82.9 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | trans | -106.9 | 107.3 | 179.2 | -177 | 0 | 0 | 0 | 0 | 109.6 | L1155 P1218 W1222 L1223 | L1155-V1220 HydrophobicContact CD1-CG2 3.91Å; L1155-V1220 HydrophobicContact CD2-CG2 4.38Å; P1218-V1220 VanDerWaalsContact O-CG2 3.29Å; P1218-V1220 WeakPolarHBondContact O-CG2 3.4Å; P1218-V1220 PolarHBondContact O-N 3.15Å; P1218-V1220 VanDerWaalsContact O-N 3.08Å; V1220-W1222 HydrophobicContact CG1-CD2 3.74Å; V1220-W1222 HydrophobicContact CG1-CE3 4.47Å; V1220-W1222 HydrophobicContact CG1-CG 3.97Å; V1220-W1222 HydrophobicContact CG1-CH2 4.36Å; V1220-W1222 HydrophobicContact CG1-CZ2 3.58Å; V1220-W1222 VanDerWaalsContact CG1-NE1 3.26Å; V1220-W1222 PolarHBondContact O-N 3.12Å; V1220-L1223 HydrophobicContact CB-CB 4.13Å; V1220-L1223 HydrophobicContact CG1-CB 4.11Å; V1220-L1223 WeakPolarHBondContact O-CB 3.32Å; V1220-L1223 PolarHBondContact O-N 3.24Å | ||
| 1221 | G | 77.2 | Confident | 82.9 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -38.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116 | L1223 S1296 | G1221-L1223 VanDerWaalsContact C-N 3.29Å; G1221-L1223 PolarHBondContact O-N 3.11Å; G1221-S1296 VanDerWaalsContact CA-CB 3.42Å |
| 1222 | W | 86.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -15.3 | -178 | 56.3 | -96.8 | 0 | 0 | 0 | 113.9 | L1155 W1205 L1209 L1212 V1220 N1224 I1225 M1226 L1277 Y1278 P1306 F1308 | L1155-W1222 HydrophobicContact CD2-CZ2 4.38Å; W1205-W1222 HydrophobicContact CZ3-CH2 4.39Å; W1205-W1222 HydrophobicContact CZ3-CZ3 4.34Å; L1209-W1222 HydrophobicContact CD2-CH2 4.43Å; L1209-W1222 HydrophobicContact CD2-CZ3 3.78Å; L1212-W1222 HydrophobicContact CD2-CH2 3.83Å; L1212-W1222 HydrophobicContact CD2-CZ2 4.34Å; V1220-W1222 HydrophobicContact CG1-CD2 3.74Å; V1220-W1222 HydrophobicContact CG1-CE3 4.47Å; V1220-W1222 HydrophobicContact CG1-CG 3.97Å; V1220-W1222 HydrophobicContact CG1-CH2 4.36Å; V1220-W1222 HydrophobicContact CG1-CZ2 3.58Å; V1220-W1222 VanDerWaalsContact CG1-NE1 3.26Å; V1220-W1222 PolarHBondContact O-N 3.12Å; W1222-N1224 PolarHBondContact O-N 3.03Å; W1222-I1225 PolarHBondContact O-N 3.17Å; W1222-M1226 HydrophobicContact CE3-CB 4.05Å; W1222-M1226 HydrophobicContact CE3-CG 4.46Å; W1222-M1226 HydrophobicContact CZ3-CB 4.45Å; W1222-M1226 VanDerWaalsContact O-CB 3.31Å; W1222-M1226 WeakPolarHBondContact O-CB 3.36Å; W1222-M1226 PolarHBondContact O-N 3.17Å; W1222-L1277 HydrophobicContact CB-CB 3.83Å; W1222-L1277 WeakPolarHBondContact CB-O 3.39Å; W1222-L1277 HydrophobicContact CD2-CD1 4.43Å; W1222-L1277 HydrophobicContact CD2-CD2 4.42Å; W1222-L1277 HydrophobicContact CE3-CD2 4.06Å; W1222-L1277 HydrophobicContact CG-CB 4.23Å; W1222-L1277 HydrophobicContact CG-CD1 4.46Å; W1222-Y1278 HydrophobicContact CB-CD1 4.3Å; W1222-Y1278 HydrophobicContact CB-CD2 4.36Å; W1222-Y1278 HydrophobicContact CB-CE1 4.03Å; W1222-Y1278 HydrophobicContact CB-CE2 4.02Å; W1222-Y1278 HydrophobicContact CB-CG 4.48Å; W1222-Y1278 AromaticContact CD1-CZ 3.8Å; W1222-Y1278 VanDerWaalsContact CD1-OH 3.31Å; W1222-Y1278 HydrophobicContact CG-CE2 4.38Å; W1222-P1306 HydrophobicContact CH2-CB 4.26Å; W1222-P1306 HydrophobicContact CH2-CG 3.86Å; W1222-P1306 HydrophobicContact CZ2-CB 3.77Å; W1222-P1306 HydrophobicContact CZ2-CG 3.5Å; W1222-P1306 VanDerWaalsContact CZ2-CG 3.48Å; W1222-F1308 HydrophobicContact CH2-CZ 4.4Å |
| 1223 | L | 86.7 | Confident | 82.7 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.2 | -54.4 | -172.8 | -176.1 | 62.4 | 0 | 0 | 0 | 111.6 | L1209 L1212 Q1213 V1220 G1221 I1225 M1226 T1227 | L1209-L1223 HydrophobicContact CD2-CD1 3.69Å; L1209-L1223 HydrophobicContact CD2-CG 4.44Å; L1212-L1223 HydrophobicContact CB-CD1 4.5Å; L1212-L1223 HydrophobicContact CD2-CD1 4.01Å; L1212-L1223 HydrophobicContact CD2-CD2 4.46Å; L1212-L1223 HydrophobicContact CG-CD1 4.01Å; Q1213-L1223 HydrophobicContact CG-CD1 4.42Å; Q1213-L1223 HydrophobicContact CG-CD2 4.17Å; Q1213-L1223 HydrophobicContact CG-CG 4.45Å; V1220-L1223 HydrophobicContact CB-CB 4.13Å; V1220-L1223 HydrophobicContact CG1-CB 4.11Å; V1220-L1223 WeakPolarHBondContact O-CB 3.32Å; V1220-L1223 PolarHBondContact O-N 3.24Å; G1221-L1223 VanDerWaalsContact C-N 3.29Å; G1221-L1223 PolarHBondContact O-N 3.11Å; L1223-I1225 VanDerWaalsContact C-N 3.32Å; L1223-I1225 PolarHBondContact O-N 3Å; L1223-M1226 PolarHBondContact O-N 3.13Å; L1223-T1227 PolarHBondContact O-N 3Å; L1223-T1227 PolarHBondContact O-OG1 3.19Å |
| 1224 | N | 83.5 | Confident | 82.4 | Confident | 107.8 Ų | 107.8 | 53.1 Ų | 53.1 | 58% | 0.576 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.6 | -34 | -180 | -74.8 | -29.8 | 0 | 0 | 0 | 113.3 | W1222 K1228 | W1222-N1224 PolarHBondContact O-N 3.03Å; N1224-K1228 VanDerWaalsContact O-CD 3.28Å; N1224-K1228 WeakPolarHBondContact O-CD 3.48Å; N1224-K1228 VanDerWaalsContact O-CG 3.25Å; N1224-K1228 WeakPolarHBondContact O-CG 3.34Å; N1224-K1228 PolarHBondContact O-N 2.77Å; N1224-K1228 VanDerWaalsContact O-N 3.16Å |
| 1225 | I | 85.3 | Confident | 82.2 | Confident | 20.8 Ų | 20.8 | 51.5 Ų | 51.5 | 11% | 0.107 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.8 | -43.6 | 179.2 | -59.6 | 173.2 | 0 | 0 | 0 | 109.2 | W1222 L1223 K1228 R1229 L1277 D1280 L1292 | W1222-I1225 PolarHBondContact O-N 3.17Å; L1223-I1225 VanDerWaalsContact C-N 3.32Å; L1223-I1225 PolarHBondContact O-N 3Å; I1225-K1228 WeakPolarHBondContact O-CB 3.19Å; I1225-K1228 PolarHBondContact O-N 3.05Å; I1225-R1229 WeakPolarHBondContact O-CB 3.41Å; I1225-R1229 PolarHBondContact O-N 3.13Å; I1225-L1277 WeakPolarHBondContact CG2-O 3.39Å; I1225-D1280 HydrophobicContact CG2-CB 4.29Å; I1225-L1292 HydrophobicContact CD1-CD2 3.53Å |
| 1226 | M | 87.8 | Confident | 81.7 | Confident | 0.4 Ų | 0.4 | 52.3 Ų | 52.3 | 0% | 0.002 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 178.9 | -170.2 | 54.2 | -163 | 0 | 0 | 112.1 | W1205 L1209 W1222 L1223 K1228 R1229 L1230 L1247 P1248 L1277 | W1205-M1226 HydrophobicContact CB-CE 4.12Å; W1205-M1226 HydrophobicContact CD2-CE 3.71Å; W1205-M1226 VanDerWaalsContact CD2-CE 3.48Å; W1205-M1226 HydrophobicContact CE3-CE 4.17Å; W1205-M1226 HydrophobicContact CE3-CG 4.48Å; W1205-M1226 HydrophobicContact CG-CE 3.84Å; W1205-M1226 VanDerWaalsContact CG-CE 3.5Å; W1205-M1226 HydrophobicContact CZ2-CE 4.36Å; W1205-M1226 HydrophobicContact CZ3-CE 4.41Å; L1209-M1226 HydrophobicContact CD1-CB 4.34Å; L1209-M1226 HydrophobicContact CD1-CG 4.09Å; L1209-M1226 HydrophobicContact CD2-CG 4.22Å; W1222-M1226 HydrophobicContact CE3-CB 4.05Å; W1222-M1226 HydrophobicContact CE3-CG 4.46Å; W1222-M1226 HydrophobicContact CZ3-CB 4.45Å; W1222-M1226 VanDerWaalsContact O-CB 3.31Å; W1222-M1226 WeakPolarHBondContact O-CB 3.36Å; W1222-M1226 PolarHBondContact O-N 3.17Å; L1223-M1226 PolarHBondContact O-N 3.13Å; M1226-K1228 VanDerWaalsContact C-N 3.35Å; M1226-K1228 PolarHBondContact O-N 3.19Å; M1226-R1229 HydrophobicContact CE-CB 4.44Å; M1226-R1229 WeakPolarHBondContact O-CB 3.35Å; M1226-R1229 PolarHBondContact O-N 3.11Å; M1226-R1229 VanDerWaalsContact O-N 3.15Å; M1226-R1229 HydrophobicContact SD-CB 4.25Å; M1226-R1229 HydrophobicContact SD-CG 4.28Å; M1226-L1230 HydrophobicContact CE-CD1 4Å; M1226-L1230 HydrophobicContact CE-CD2 3.98Å; M1226-L1230 HydrophobicContact CE-CG 3.89Å; M1226-L1230 HydrophobicContact CG-CD1 4.42Å; M1226-L1230 WeakPolarHBondContact O-CB 3.11Å; M1226-L1230 WeakPolarHBondContact O-CG 3.13Å; M1226-L1230 PolarHBondContact O-N 3.03Å; M1226-L1247 HydrophobicContact CE-CD2 4.03Å; M1226-P1248 VanDerWaalsContact CE-CD 3.47Å; M1226-P1248 HydrophobicContact CE-CG 4.15Å; M1226-P1248 HydrophobicContact SD-CG 3.97Å; M1226-L1277 HydrophobicContact CB-CD2 4.46Å; M1226-L1277 HydrophobicContact CG-CD2 4.13Å; M1226-L1277 HydrophobicContact SD-CD2 4.12Å |
| 1227 | T | 87.2 | Confident | 81.1 | Confident | 49.4 Ų | 49.4 | 47.6 Ų | 47.6 | 30% | 0.303 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 172.5 | -50 | 0 | 0 | 0 | 0 | 111.6 | Q1213 L1223 R1229 L1230 S1231 | Q1213-T1227 PolarHBondContact NE2-OG1 3.06Å; L1223-T1227 PolarHBondContact O-N 3Å; L1223-T1227 PolarHBondContact O-OG1 3.19Å; T1227-R1229 VanDerWaalsContact C-N 3.33Å; T1227-R1229 PolarHBondContact O-N 3.28Å; T1227-L1230 PolarHBondContact O-N 3.14Å; T1227-L1230 VanDerWaalsContact O-N 3.17Å; T1227-S1231 PolarHBondContact O-N 3.05Å; T1227-S1231 VanDerWaalsContact O-N 3.12Å; T1227-S1231 PolarHBondContact O-OG 3.09Å; T1227-S1231 VanDerWaalsContact O-OG 3.05Å |
| 1228 | K | 85.7 | Confident | 79.9 | Confident | 111.8 Ų | 111.8 | 50.8 Ų | 50.8 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 174.3 | -72.7 | 173.4 | -176.8 | 176.1 | 0 | 112.3 | N1224 I1225 M1226 L1230 S1231 R1232 | N1224-K1228 VanDerWaalsContact O-CD 3.28Å; N1224-K1228 WeakPolarHBondContact O-CD 3.48Å; N1224-K1228 VanDerWaalsContact O-CG 3.25Å; N1224-K1228 WeakPolarHBondContact O-CG 3.34Å; N1224-K1228 PolarHBondContact O-N 2.77Å; N1224-K1228 VanDerWaalsContact O-N 3.16Å; I1225-K1228 WeakPolarHBondContact O-CB 3.19Å; I1225-K1228 PolarHBondContact O-N 3.05Å; M1226-K1228 VanDerWaalsContact C-N 3.35Å; M1226-K1228 PolarHBondContact O-N 3.19Å; K1228-L1230 VanDerWaalsContact C-N 3.33Å; K1228-S1231 WeakPolarHBondContact CA-OG 3.34Å; K1228-S1231 PolarHBondContact O-OG 3.11Å; K1228-R1232 VanDerWaalsContact O-CG 3.32Å; K1228-R1232 WeakPolarHBondContact O-CG 3.4Å; K1228-R1232 PolarHBondContact O-N 3.26Å; K1228-R1232 VanDerWaalsContact O-N 3.12Å |
| 1229 | R | 87.1 | Confident | 78.6 | Confident | 20.4 Ų | 20.4 | 55.5 Ų | 55.5 | 8% | 0.077 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.1 | -170.9 | -179.9 | -140.2 | 88.2 | 8 | 111.4 | I1225 M1226 T1227 R1232 Y1233 V1245 R1246 L1247 L1276 C1279 | I1225-R1229 WeakPolarHBondContact O-CB 3.41Å; I1225-R1229 PolarHBondContact O-N 3.13Å; M1226-R1229 HydrophobicContact CE-CB 4.44Å; M1226-R1229 WeakPolarHBondContact O-CB 3.35Å; M1226-R1229 PolarHBondContact O-N 3.11Å; M1226-R1229 VanDerWaalsContact O-N 3.15Å; M1226-R1229 HydrophobicContact SD-CB 4.25Å; M1226-R1229 HydrophobicContact SD-CG 4.28Å; T1227-R1229 VanDerWaalsContact C-N 3.33Å; T1227-R1229 PolarHBondContact O-N 3.28Å; R1229-R1232 PolarHBondContact O-N 2.95Å; R1229-Y1233 VanDerWaalsContact O-CB 3.29Å; R1229-Y1233 WeakPolarHBondContact O-CB 3.38Å; R1229-Y1233 PolarHBondContact O-N 3.14Å; R1229-V1245 HydrophobicContact CG-CG1 4.02Å; R1229-R1246 WeakPolarHBondContact CD-O 3.23Å; R1229-R1246 VanDerWaalsContact CZ-O 3.25Å; R1229-R1246 PolarHBondContact NE-O 3.16Å; R1229-R1246 PolarHBondContact NH2-O 3.44Å; R1229-L1247 HydrophobicContact CG-CD2 4.24Å; R1229-L1276 PolarHBondContact NH1-O 3.17Å; R1229-L1276 PolarHBondContact NH2-O 2.73Å; R1229-C1279 VanDerWaalsContact CZ-O 3.25Å; R1229-C1279 PolarHBondContact NH1-O 3.01Å; R1229-C1279 PolarHBondContact NH2-O 3.07Å |
| 1230 | L | 86 | Confident | 77.2 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 178 | -111.4 | 131.5 | 0 | 0 | 0 | 111.8 | Y1202 W1205 N1206 L1209 M1226 T1227 K1228 R1232 Y1233 H1234 L1247 | Y1202-L1230 HydrophobicContact CD2-CD1 3.9Å; Y1202-L1230 VanDerWaalsContact CD2-CD1 3.41Å; Y1202-L1230 HydrophobicContact CD2-CD2 3.54Å; Y1202-L1230 HydrophobicContact CD2-CG 3.81Å; Y1202-L1230 HydrophobicContact CE2-CB 4.28Å; Y1202-L1230 HydrophobicContact CE2-CD1 3.75Å; Y1202-L1230 HydrophobicContact CE2-CD2 3.74Å; Y1202-L1230 VanDerWaalsContact CE2-CD2 3.47Å; Y1202-L1230 HydrophobicContact CE2-CG 3.92Å; Y1202-L1230 WeakPolarHBondContact CE2-O 3.29Å; Y1202-L1230 HydrophobicContact CG-CD1 4.35Å; Y1202-L1230 HydrophobicContact CG-CD2 4.24Å; W1205-L1230 HydrophobicContact CB-CD1 3.96Å; W1205-L1230 VanDerWaalsContact CB-CD1 3.43Å; W1205-L1230 HydrophobicContact CB-CD2 4.05Å; W1205-L1230 HydrophobicContact CG-CD1 4.39Å; N1206-L1230 VanDerWaalsContact CA-CD2 3.48Å; N1206-L1230 HydrophobicContact CB-CD1 3.91Å; N1206-L1230 HydrophobicContact CB-CD2 3.99Å; N1206-L1230 WeakPolarHBondContact OD1-CD2 3.39Å; L1209-L1230 HydrophobicContact CD1-CD1 3.47Å; L1209-L1230 HydrophobicContact CD1-CD2 3.97Å; L1209-L1230 HydrophobicContact CG-CD1 4.06Å; M1226-L1230 HydrophobicContact CE-CD1 4Å; M1226-L1230 HydrophobicContact CE-CD2 3.98Å; M1226-L1230 HydrophobicContact CE-CG 3.89Å; M1226-L1230 HydrophobicContact CG-CD1 4.42Å; M1226-L1230 WeakPolarHBondContact O-CB 3.11Å; M1226-L1230 WeakPolarHBondContact O-CG 3.13Å; M1226-L1230 PolarHBondContact O-N 3.03Å; T1227-L1230 PolarHBondContact O-N 3.14Å; T1227-L1230 VanDerWaalsContact O-N 3.17Å; K1228-L1230 VanDerWaalsContact C-N 3.33Å; L1230-R1232 PolarHBondContact O-N 2.76Å; L1230-Y1233 WeakPolarHBondContact O-CB 3.39Å; L1230-Y1233 PolarHBondContact O-N 3.04Å; L1230-Y1233 VanDerWaalsContact O-N 3.17Å; L1230-H1234 PolarHBondContact O-N 3.14Å; L1230-L1247 HydrophobicContact CD1-CD1 4.36Å; L1230-L1247 HydrophobicContact CD1-CD2 4.21Å; L1230-L1247 HydrophobicContact CD2-CD1 4.22Å; L1230-L1247 HydrophobicContact CD2-CD2 4.07Å; L1230-L1247 HydrophobicContact CG-CD2 4.45Å |
| 1231 | S | 84.6 | Confident | 75.6 | Confident | 58.2 Ų | 58.2 | 60.7 Ų | 60.7 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 175.3 | 40.2 | 0 | 0 | 0 | 0 | 111.8 | T1227 K1228 Y1233 H1234 D1235 | T1227-S1231 PolarHBondContact O-N 3.05Å; T1227-S1231 VanDerWaalsContact O-N 3.12Å; T1227-S1231 PolarHBondContact O-OG 3.09Å; T1227-S1231 VanDerWaalsContact O-OG 3.05Å; K1228-S1231 WeakPolarHBondContact CA-OG 3.34Å; K1228-S1231 PolarHBondContact O-OG 3.11Å; S1231-Y1233 VanDerWaalsContact C-N 3.3Å; S1231-Y1233 PolarHBondContact O-N 3.2Å; S1231-H1234 WeakPolarHBondContact O-CB 3.34Å; S1231-H1234 PolarHBondContact O-N 3.01Å; S1231-H1234 VanDerWaalsContact O-N 3.12Å; S1231-D1235 VanDerWaalsContact O-CG 3.27Å; S1231-D1235 PolarHBondContact O-N 3.23Å |
| 1232 | R | 81.2 | Confident | 74.1 | Confident | 108.2 Ų | 108.2 | 67.1 Ų | 67.1 | 41% | 0.408 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -36.1 | 174.7 | -70.3 | -177 | -164.4 | 154.1 | 11.3 | 113.1 | K1228 R1229 L1230 H1234 D1235 A1236 D1280 | K1228-R1232 VanDerWaalsContact O-CG 3.32Å; K1228-R1232 WeakPolarHBondContact O-CG 3.4Å; K1228-R1232 PolarHBondContact O-N 3.26Å; K1228-R1232 VanDerWaalsContact O-N 3.12Å; R1229-R1232 PolarHBondContact O-N 2.95Å; L1230-R1232 PolarHBondContact O-N 2.76Å; R1232-H1234 VanDerWaalsContact C-N 3.3Å; R1232-H1234 PolarHBondContact O-N 3.07Å; R1232-D1235 PolarHBondContact O-N 3.24Å; R1232-A1236 VanDerWaalsContact O-CB 3.23Å; R1232-A1236 WeakPolarHBondContact O-CB 3.38Å; R1232-A1236 PolarHBondContact O-N 3.22Å; R1232-D1280 IonicContact CZ-OD1 3.43Å; R1232-D1280 IonicContact CZ-OD2 3.98Å; R1232-D1280 VanDerWaalsContact NH1-CG 3.29Å; R1232-D1280 PolarHBondContact NH1-O 3.2Å; R1232-D1280 IonicContact NH1-OD1 3.14Å; R1232-D1280 PolarHBondContact NH1-OD1 3.1Å; R1232-D1280 IonicContact NH1-OD2 3.44Å; R1232-D1280 PolarHBondContact NH1-OD2 2.87Å; R1232-D1280 VanDerWaalsContact NH2-CG 3.29Å; R1232-D1280 IonicContact NH2-OD1 3.17Å; R1232-D1280 PolarHBondContact NH2-OD1 3.29Å; R1232-D1280 IonicContact NH2-OD2 3.13Å; R1232-D1280 PolarHBondContact NH2-OD2 2.87Å |
| 1233 | Y | 80.3 | Confident | 72.4 | Confident | 21.6 Ų | 21.6 | 74.1 Ų | 74.1 | 9% | 0.085 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 175.7 | -174.6 | -97.7 | 0 | 0 | 0 | 111.7 | Q1197 S1198 Y1202 R1229 L1230 S1231 R1237 V1245 L1247 | Q1197-Y1233 VanDerWaalsContact NE2-CE2 3.3Å; Q1197-Y1233 PolarHBondContact NE2-OH 3.23Å; Q1197-Y1233 VanDerWaalsContact NE2-OH 3.1Å; S1198-Y1233 WeakPolarHBondContact CB-OH 2.92Å; S1198-Y1233 PolarHBondContact O-OH 3.11Å; S1198-Y1233 VanDerWaalsContact O-OH 3.11Å; S1198-Y1233 PolarHBondContact OG-OH 2.8Å; S1198-Y1233 VanDerWaalsContact OG-OH 3.09Å; Y1202-Y1233 AromaticContact CD2-CD1 3.64Å; Y1202-Y1233 HydrophobicContact CD2-CD1 3.64Å; Y1202-Y1233 VanDerWaalsContact CD2-CD1 3.45Å; Y1202-Y1233 AromaticContact CD2-CE1 3.92Å; Y1202-Y1233 HydrophobicContact CD2-CE1 4.26Å; Y1202-Y1233 HydrophobicContact CD2-CG 4.49Å; Y1202-Y1233 HydrophobicContact CE2-CD1 4.35Å; Y1202-Y1233 HydrophobicContact CG-CD1 4.18Å; Y1202-Y1233 HydrophobicContact CG-CE1 4.3Å; R1229-Y1233 VanDerWaalsContact O-CB 3.29Å; R1229-Y1233 WeakPolarHBondContact O-CB 3.38Å; R1229-Y1233 PolarHBondContact O-N 3.14Å; L1230-Y1233 WeakPolarHBondContact O-CB 3.39Å; L1230-Y1233 PolarHBondContact O-N 3.04Å; L1230-Y1233 VanDerWaalsContact O-N 3.17Å; S1231-Y1233 VanDerWaalsContact C-N 3.3Å; S1231-Y1233 PolarHBondContact O-N 3.2Å; Y1233-R1237 VanDerWaalsContact CE1-CZ 3.43Å; Y1233-R1237 VanDerWaalsContact CE1-NE 3.28Å; Y1233-R1237 VanDerWaalsContact CE1-NH2 3.31Å; Y1233-R1237 WeakPolarHBondContact O-CG 3.28Å; Y1233-R1237 PolarHBondContact O-N 2.91Å; Y1233-R1237 PolarHBondContact OH-NH2 2.78Å; Y1233-V1245 HydrophobicContact CD2-CB 4.1Å; Y1233-V1245 HydrophobicContact CD2-CG1 4.18Å; Y1233-V1245 VanDerWaalsContact CD2-O 3.23Å; Y1233-V1245 WeakPolarHBondContact CD2-O 3.32Å; Y1233-V1245 WeakPolarHBondContact CE2-O 3.33Å; Y1233-L1247 HydrophobicContact CD1-CD1 3.77Å; Y1233-L1247 HydrophobicContact CD1-CD2 4.39Å; Y1233-L1247 HydrophobicContact CD1-CG 4.27Å; Y1233-L1247 HydrophobicContact CD2-CD1 4.26Å; Y1233-L1247 HydrophobicContact CD2-CD2 4.29Å; Y1233-L1247 HydrophobicContact CD2-CG 3.94Å; Y1233-L1247 HydrophobicContact CE1-CD1 3.7Å; Y1233-L1247 HydrophobicContact CE1-CG 4.34Å; Y1233-L1247 HydrophobicContact CE2-CD1 4.26Å; Y1233-L1247 HydrophobicContact CE2-CG 4.16Å; Y1233-L1247 HydrophobicContact CG-CD1 4.03Å; Y1233-L1247 HydrophobicContact CG-CD2 4.04Å; Y1233-L1247 HydrophobicContact CG-CG 4Å |
| 1234 | H | 77.6 | Confident | 71.3 | Confident | 77.6 Ų | 77.6 | 80.6 Ų | 80.6 | 36% | 0.359 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.7 | -47.8 | 173.2 | -173.4 | -73.8 | 0 | 0 | 0 | 111.5 | Y1202 L1230 S1231 R1232 A1236 R1237 L1238 | Y1202-H1234 HydrophobicContact CE2-CB 4.06Å; Y1202-H1234 AromaticContact CZ-CD2 3.77Å; Y1202-H1234 AromaticContact CZ-ND1 3.64Å; Y1202-H1234 PolarHBondContact OH-CD2 3.04Å; Y1202-H1234 PolarHBondContact OH-ND1 3.49Å; L1230-H1234 PolarHBondContact O-N 3.14Å; S1231-H1234 WeakPolarHBondContact O-CB 3.34Å; S1231-H1234 PolarHBondContact O-N 3.01Å; S1231-H1234 VanDerWaalsContact O-N 3.12Å; R1232-H1234 VanDerWaalsContact C-N 3.3Å; R1232-H1234 PolarHBondContact O-N 3.07Å; H1234-A1236 PolarHBondContact O-N 3.04Å; H1234-R1237 WeakPolarHBondContact O-CB 3.41Å; H1234-R1237 PolarHBondContact O-N 3.34Å; H1234-R1237 VanDerWaalsContact O-N 3.1Å; H1234-L1238 PolarHBondContact O-N 3.13Å |
| 1235 | D | 74.7 | Confident | 70.8 | Confident | 83.8 Ų | 83.8 | 76.7 Ų | 76.7 | 45% | 0.448 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.3 | -39 | -179 | -64.3 | -21.7 | 0 | 0 | 0 | 112.6 | S1231 R1232 R1237 L1238 I1239 | S1231-D1235 VanDerWaalsContact O-CG 3.27Å; S1231-D1235 PolarHBondContact O-N 3.23Å; R1232-D1235 PolarHBondContact O-N 3.24Å; D1235-R1237 PolarHBondContact O-N 3.15Å; D1235-R1237 VanDerWaalsContact O-N 3.11Å; D1235-L1238 WeakPolarHBondContact O-CB 3.35Å; D1235-L1238 PolarHBondContact O-N 3.2Å; D1235-L1238 VanDerWaalsContact O-N 3.09Å; D1235-I1239 PolarHBondContact O-N 3.32Å; D1235-I1239 VanDerWaalsContact O-N 3.11Å |
| 1236 | A | 66.8 | Low | 70.6 | Confident | 35 Ų | 35 | 82.6 Ų | 82.6 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64 | -19.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1232 H1234 L1238 I1239 V1245 | R1232-A1236 VanDerWaalsContact O-CB 3.23Å; R1232-A1236 WeakPolarHBondContact O-CB 3.38Å; R1232-A1236 PolarHBondContact O-N 3.22Å; H1234-A1236 PolarHBondContact O-N 3.04Å; A1236-L1238 PolarHBondContact O-N 2.92Å; A1236-I1239 CarbonylContact O-C 3.39Å; A1236-I1239 PolarHBondContact O-N 3.36Å; A1236-I1239 VanDerWaalsContact O-O 3.07Å; A1236-V1245 HydrophobicContact CB-CG2 4.38Å |
| 1237 | R | 63.3 | Low | 70.5 | Confident | 95.4 Ų | 95.4 | 82.7 Ų | 82.7 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -26.2 | 172.8 | -72.2 | 171.2 | 171.4 | -144 | -8.6 | 113.1 | H1021 N1199 Y1233 H1234 D1235 I1239 | H1021-R1237 PolarHBondContact CE1-NH1 3Å; H1021-R1237 VanDerWaalsContact CE1-NH1 3.26Å; H1021-R1237 PolarHBondContact NE2-NH1 3.45Å; N1199-R1237 VanDerWaalsContact CA-NH2 3.35Å; N1199-R1237 PolarHBondContact ND2-NH1 3.04Å; N1199-R1237 VanDerWaalsContact ND2-NH1 3.11Å; N1199-R1237 VanDerWaalsContact OD1-CZ 3.23Å; N1199-R1237 PolarHBondContact OD1-NE 3.38Å; N1199-R1237 PolarHBondContact OD1-NH1 3.24Å; N1199-R1237 PolarHBondContact OD1-NH2 3.13Å; Y1233-R1237 VanDerWaalsContact CE1-CZ 3.43Å; Y1233-R1237 VanDerWaalsContact CE1-NE 3.28Å; Y1233-R1237 VanDerWaalsContact CE1-NH2 3.31Å; Y1233-R1237 WeakPolarHBondContact O-CG 3.28Å; Y1233-R1237 PolarHBondContact O-N 2.91Å; Y1233-R1237 PolarHBondContact OH-NH2 2.78Å; H1234-R1237 WeakPolarHBondContact O-CB 3.41Å; H1234-R1237 PolarHBondContact O-N 3.34Å; H1234-R1237 VanDerWaalsContact O-N 3.1Å; D1235-R1237 PolarHBondContact O-N 3.15Å; D1235-R1237 VanDerWaalsContact O-N 3.11Å; R1237-I1239 VanDerWaalsContact C-N 3.35Å |
| 1238 | L | 57.9 | Low | 70.6 | Confident | 131 Ų | 131 | 80.4 Ų | 80.4 | 69% | 0.686 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -19.6 | -179.7 | -68.8 | 164.5 | 0 | 0 | 0 | 112.3 | H1234 D1235 A1236 | H1234-L1238 PolarHBondContact O-N 3.13Å; D1235-L1238 WeakPolarHBondContact O-CB 3.35Å; D1235-L1238 PolarHBondContact O-N 3.2Å; D1235-L1238 VanDerWaalsContact O-N 3.09Å; A1236-L1238 PolarHBondContact O-N 2.92Å |
| 1239 | I | 52.7 | Low | 70.8 | Confident | 130.2 Ų | 130.2 | 78.6 Ų | 78.6 | 67% | 0.668 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -126.9 | 82 | -170.2 | -49 | 175.6 | 0 | 0 | 0 | 110.7 | D1235 A1236 R1237 | D1235-I1239 PolarHBondContact O-N 3.32Å; D1235-I1239 VanDerWaalsContact O-N 3.11Å; A1236-I1239 CarbonylContact O-C 3.39Å; A1236-I1239 PolarHBondContact O-N 3.36Å; A1236-I1239 VanDerWaalsContact O-O 3.07Å; R1237-I1239 VanDerWaalsContact C-N 3.35Å |
| 1240 | S | 46.2 | Very low | 71 | Confident | 87 Ų | 87 | 77.6 Ų | 77.6 | 61% | 0.608 | 39% | 0.387 | S | S | * | . | trans | 31.6 | 149.6 | 174.7 | -71.5 | 0 | 0 | 0 | 0 | 116.1 | L1242 | S1240-L1242 VanDerWaalsContact C-N 3.29Å; S1240-L1242 PolarHBondContact O-N 2.97Å | ||
| 1241 | P | 49.6 | Very low | 71.2 | Confident | 112.8 Ų | 112.8 | 77.4 Ų | 77.4 | 73% | 0.732 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -77.4 | 56.4 | -153.6 | 34 | -34 | 0 | 0 | 0 | 115.4 | Y1243 | P1241-Y1243 VanDerWaalsContact C-N 3.32Å; P1241-Y1243 WeakPolarHBondContact O-CD2 3.21Å; P1241-Y1243 PolarHBondContact O-N 3.31Å |
| 1242 | L | 44.9 | Very low | 71.4 | Confident | 143.2 Ų | 143.2 | 74.7 Ų | 74.7 | 75% | 0.75 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -68 | -6.7 | 174.8 | -74.6 | 166.1 | 0 | 0 | 0 | 115.9 | S1240 | S1240-L1242 VanDerWaalsContact C-N 3.29Å; S1240-L1242 PolarHBondContact O-N 2.97Å |
| 1243 | Y | 52.1 | Low | 71.8 | Confident | 145.6 Ų | 145.6 | 69.6 Ų | 69.6 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -133.1 | 88.4 | 177.7 | -68.5 | -81.3 | 0 | 0 | 0 | 112.1 | P1241 V1245 R1283 | P1241-Y1243 VanDerWaalsContact C-N 3.32Å; P1241-Y1243 WeakPolarHBondContact O-CD2 3.21Å; P1241-Y1243 PolarHBondContact O-N 3.31Å; Y1243-V1245 VanDerWaalsContact C-N 3.29Å; Y1243-V1245 PolarHBondContact O-N 3.2Å; Y1243-V1245 VanDerWaalsContact O-N 3.09Å; Y1243-R1283 PolarHBondContact OH-NH2 3.46Å; Y1243-R1283 VanDerWaalsContact OH-NH2 3.14Å |
| 1244 | E | 61.8 | Low | 72.2 | Confident | 146.8 Ų | 146.8 | 68.6 Ų | 68.6 | 69% | 0.686 | 34% | 0.344 | S | S | * | . | trans | -78.5 | 72.5 | 177.4 | -147.5 | -175.3 | -136.2 | 0 | 0 | 110.8 | R1246 S1282 | E1244-R1246 HydrophobicContact CG-CG 4.47Å; E1244-R1246 PolarHBondContact O-N 3.16Å; E1244-R1246 IonicContact OE2-CZ 3.34Å; E1244-R1246 VanDerWaalsContact OE2-CZ 3.29Å; E1244-R1246 IonicContact OE2-NE 3.55Å; E1244-R1246 PolarHBondContact OE2-NE 2.95Å; E1244-R1246 IonicContact OE2-NH2 3.44Å; E1244-R1246 PolarHBondContact OE2-NH2 3.01Å; E1244-S1282 WeakPolarHBondContact O-CB 3.47Å | ||
| 1245 | V | 73.4 | Confident | 72.6 | Confident | 27 Ų | 27 | 68 Ų | 68 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 115.5 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | R1229 Y1233 A1236 Y1243 | R1229-V1245 HydrophobicContact CG-CG1 4.02Å; Y1233-V1245 HydrophobicContact CD2-CB 4.1Å; Y1233-V1245 HydrophobicContact CD2-CG1 4.18Å; Y1233-V1245 VanDerWaalsContact CD2-O 3.23Å; Y1233-V1245 WeakPolarHBondContact CD2-O 3.32Å; Y1233-V1245 WeakPolarHBondContact CE2-O 3.33Å; A1236-V1245 HydrophobicContact CB-CG2 4.38Å; Y1243-V1245 VanDerWaalsContact C-N 3.29Å; Y1243-V1245 PolarHBondContact O-N 3.2Å; Y1243-V1245 VanDerWaalsContact O-N 3.09Å |
| 1246 | R | 81.7 | Confident | 73 | Confident | 144 Ų | 144 | 67.1 Ų | 67.1 | 54% | 0.543 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 138.8 | 176.2 | -66.6 | -178.4 | 179.2 | 170.8 | -0.9 | 110.9 | R1229 E1244 L1276 | R1229-R1246 WeakPolarHBondContact CD-O 3.23Å; R1229-R1246 VanDerWaalsContact CZ-O 3.25Å; R1229-R1246 PolarHBondContact NE-O 3.16Å; R1229-R1246 PolarHBondContact NH2-O 3.44Å; E1244-R1246 HydrophobicContact CG-CG 4.47Å; E1244-R1246 PolarHBondContact O-N 3.16Å; E1244-R1246 IonicContact OE2-CZ 3.34Å; E1244-R1246 VanDerWaalsContact OE2-CZ 3.29Å; E1244-R1246 IonicContact OE2-NE 3.55Å; E1244-R1246 PolarHBondContact OE2-NE 2.95Å; E1244-R1246 IonicContact OE2-NH2 3.44Å; E1244-R1246 PolarHBondContact OE2-NH2 3.01Å; R1246-L1276 HydrophobicContact CB-CD1 4.39Å |
| 1247 | L | 86.4 | Confident | 73.5 | Confident | 3.4 Ų | 3.4 | 67.5 Ų | 67.5 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -96 | 147.9 | 172.5 | -63.3 | 174.1 | 0 | 0 | 0 | 108.8 | Q1197 L1201 Y1202 M1226 R1229 L1230 Y1233 K1249 | Q1197-L1247 VanDerWaalsContact OE1-N 3.17Å; Q1197-L1247 PolarHBondContact OE1-O 2.88Å; Q1197-L1247 VanDerWaalsContact OE1-O 3.08Å; L1201-L1247 HydrophobicContact CB-CD1 4.32Å; L1201-L1247 HydrophobicContact CD2-CB 4.06Å; L1201-L1247 HydrophobicContact CG-CD1 4.49Å; Y1202-L1247 HydrophobicContact CD2-CD1 4.49Å; M1226-L1247 HydrophobicContact CE-CD2 4.03Å; R1229-L1247 HydrophobicContact CG-CD2 4.24Å; L1230-L1247 HydrophobicContact CD1-CD1 4.36Å; L1230-L1247 HydrophobicContact CD1-CD2 4.21Å; L1230-L1247 HydrophobicContact CD2-CD1 4.22Å; L1230-L1247 HydrophobicContact CD2-CD2 4.07Å; L1230-L1247 HydrophobicContact CG-CD2 4.45Å; Y1233-L1247 HydrophobicContact CD1-CD1 3.77Å; Y1233-L1247 HydrophobicContact CD1-CD2 4.39Å; Y1233-L1247 HydrophobicContact CD1-CG 4.27Å; Y1233-L1247 HydrophobicContact CD2-CD1 4.26Å; Y1233-L1247 HydrophobicContact CD2-CD2 4.29Å; Y1233-L1247 HydrophobicContact CD2-CG 3.94Å; Y1233-L1247 HydrophobicContact CE1-CD1 3.7Å; Y1233-L1247 HydrophobicContact CE1-CG 4.34Å; Y1233-L1247 HydrophobicContact CE2-CD1 4.26Å; Y1233-L1247 HydrophobicContact CE2-CG 4.16Å; Y1233-L1247 HydrophobicContact CG-CD1 4.03Å; Y1233-L1247 HydrophobicContact CG-CD2 4.04Å; Y1233-L1247 HydrophobicContact CG-CG 4Å; L1247-K1249 PolarHBondContact O-N 3.14Å |
| 1248 | P | 89.2 | Confident | 73.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 125.7 | 171.3 | -20.8 | 32.5 | 0 | 0 | 0 | 110.5 | W1205 M1226 D1273 L1276 L1277 | W1205-P1248 HydrophobicContact CZ2-CB 3.92Å; W1205-P1248 HydrophobicContact CZ2-CG 4.39Å; W1205-P1248 PolarHBondContact NE1-O 3.03Å; M1226-P1248 VanDerWaalsContact CE-CD 3.47Å; M1226-P1248 HydrophobicContact CE-CG 4.15Å; M1226-P1248 HydrophobicContact SD-CG 3.97Å; P1248-D1273 HydrophobicContact CB-CB 4.1Å; P1248-L1276 HydrophobicContact CG-CB 4.04Å; P1248-L1277 HydrophobicContact CB-CD2 4.39Å; P1248-L1277 HydrophobicContact CG-CD2 3.77Å; P1248-L1277 HydrophobicContact CG-CG 4.19Å |
| 1249 | K | 90.2 | Very high | 74.4 | Confident | 74.8 Ų | 74.8 | 61.3 Ų | 61.3 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 153.4 | 175.8 | -61.6 | 172.9 | -172 | 171.2 | 0 | 110.1 | F1194 L1201 L1247 P1268 A1269 D1273 E1614 | F1194-K1249 HydrophobicContact CE1-CB 4.14Å; F1194-K1249 HydrophobicContact CE1-CD 3.94Å; F1194-K1249 HydrophobicContact CE1-CG 4.23Å; F1194-K1249 HydrophobicContact CZ-CB 4.23Å; F1194-K1249 HydrophobicContact CZ-CD 3.76Å; L1201-K1249 HydrophobicContact CD1-CG 4.25Å; L1247-K1249 PolarHBondContact O-N 3.14Å; K1249-P1268 CarbonylContact O-C 3.51Å; K1249-P1268 WeakPolarHBondContact O-CA 3.37Å; K1249-A1269 HydrophobicContact CB-CB 3.79Å; K1249-A1269 PolarHBondContact O-N 3.01Å; K1249-D1273 WeakPolarHBondContact CB-OD1 3.26Å; K1249-D1273 PolarHBondContact N-OD1 3.2Å; K1249-E1614 IonicContact NZ-OE1 3.3Å |
| 1250 | L | 90.4 | Very high | 75.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144.7 | -179.3 | -69.5 | 172.5 | 0 | 0 | 0 | 110.7 | I1195 L1201 L1204 W1205 S1267 | I1195-L1250 WeakPolarHBondContact CA-O 3.19Å; I1195-L1250 HydrophobicContact CB-CB 4.35Å; I1195-L1250 VanDerWaalsContact CB-O 3.3Å; I1195-L1250 WeakPolarHBondContact CB-O 3.32Å; I1195-L1250 HydrophobicContact CD1-CB 4.17Å; I1195-L1250 HydrophobicContact CG1-CB 4.38Å; I1195-L1250 WeakPolarHBondContact CG1-O 2.98Å; I1195-L1250 PolarHBondContact N-O 3.2Å; L1201-L1250 HydrophobicContact CD1-CB 4.38Å; L1201-L1250 HydrophobicContact CD1-CD1 4.04Å; L1201-L1250 HydrophobicContact CD1-CG 4.18Å; L1201-L1250 HydrophobicContact CD2-CB 4.15Å; L1201-L1250 HydrophobicContact CD2-CD1 4.31Å; L1201-L1250 HydrophobicContact CD2-CG 4.27Å; L1204-L1250 HydrophobicContact CD2-CD1 3.77Å; L1204-L1250 HydrophobicContact CG-CD1 4.3Å; W1205-L1250 HydrophobicContact CD2-CD1 4.48Å; W1205-L1250 HydrophobicContact CH2-CD2 4.23Å; W1205-L1250 HydrophobicContact CZ2-CD1 4.13Å; W1205-L1250 HydrophobicContact CZ2-CD2 3.63Å; W1205-L1250 HydrophobicContact CZ2-CG 3.98Å; L1250-S1267 CarbonylContact C-O 3.52Å; L1250-S1267 VanDerWaalsContact CA-O 3.29Å; L1250-S1267 WeakPolarHBondContact CA-O 3.36Å; L1250-S1267 WeakPolarHBondContact CD2-O 3.3Å |
| 1251 | V | 89.7 | Confident | 77 | Confident | 0.6 Ų | 0.6 | 54.6 Ų | 54.6 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.1 | 166.4 | 174.5 | 0 | 0 | 0 | 0 | 108 | W1192 V1193 F1194 F1253 L1266 S1267 A1269 | W1192-V1251 HydrophobicContact CB-CG1 4.34Å; W1192-V1251 HydrophobicContact CD2-CG1 4.39Å; W1192-V1251 HydrophobicContact CE3-CG1 3.94Å; V1193-V1251 CarbonylContact O-C 3.58Å; V1193-V1251 WeakPolarHBondContact O-CA 3.39Å; F1194-V1251 HydrophobicContact CD2-CG2 3.64Å; F1194-V1251 HydrophobicContact CE2-CG2 4.08Å; F1194-V1251 HydrophobicContact CG-CG2 4.38Å; V1251-F1253 HydrophobicContact CB-CE2 4.24Å; V1251-F1253 HydrophobicContact CB-CZ 4.47Å; V1251-F1253 HydrophobicContact CG1-CD2 4.14Å; V1251-F1253 HydrophobicContact CG1-CE1 4.16Å; V1251-F1253 HydrophobicContact CG1-CE2 3.64Å; V1251-F1253 HydrophobicContact CG1-CZ 3.65Å; V1251-L1266 CarbonylContact O-C 3.55Å; V1251-L1266 WeakPolarHBondContact O-CA 3.41Å; V1251-S1267 PolarHBondContact N-O 3.25Å; V1251-S1267 PolarHBondContact O-N 3.06Å; V1251-A1269 HydrophobicContact CG2-CB 3.75Å |
| 1252 | C | 89.5 | Confident | 78.7 | Confident | 1.6 Ų | 1.6 | 49.5 Ų | 49.5 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.3 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | W1192 V1193 I1195 L1265 L1266 | W1192-C1252 CarbonylContact C-O 3.46Å; W1192-C1252 WeakPolarHBondContact CA-O 3.33Å; W1192-C1252 WeakPolarHBondContact CB-O 3.29Å; V1193-C1252 HydrophobicContact CB-CB 4.24Å; V1193-C1252 PolarHBondContact N-O 3.09Å; V1193-C1252 PolarHBondContact O-N 3.08Å; I1195-C1252 HydrophobicContact CD1-CB 4.41Å; C1252-L1265 CarbonylContact C-O 3.54Å; C1252-L1265 VanDerWaalsContact CA-O 3.28Å; C1252-L1265 WeakPolarHBondContact CA-O 3.4Å; C1252-L1266 HydrophobicContact CB-CD2 3.5Å; C1252-L1266 VanDerWaalsContact CB-CD2 3.47Å |
| 1253 | F | 89.8 | Confident | 80.6 | Confident | 0.6 Ų | 0.6 | 42.7 Ų | 42.7 | 0% | 0.003 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 138.9 | 170 | -55.2 | -93.4 | 0 | 0 | 0 | 109.6 | H1182 L1185 A1186 H1189 W1192 V1251 L1264 L1265 | H1182-F1253 HydrophobicContact CB-CZ 4.1Å; H1182-F1253 AromaticContact CD2-CZ 3.91Å; H1182-F1253 AromaticContact CG-CZ 3.98Å; L1185-F1253 HydrophobicContact CB-CD1 3.92Å; L1185-F1253 HydrophobicContact CB-CD2 4.37Å; L1185-F1253 HydrophobicContact CB-CE1 3.75Å; L1185-F1253 HydrophobicContact CB-CE2 4.2Å; L1185-F1253 HydrophobicContact CB-CG 4.25Å; L1185-F1253 HydrophobicContact CB-CZ 3.9Å; L1185-F1253 HydrophobicContact CD1-CD2 4.08Å; L1185-F1253 HydrophobicContact CD1-CE2 3.76Å; L1185-F1253 HydrophobicContact CD1-CZ 4.13Å; A1186-F1253 HydrophobicContact CB-CE1 4.18Å; H1189-F1253 HydrophobicContact CB-CB 4.04Å; W1192-F1253 HydrophobicContact CB-CD1 3.62Å; W1192-F1253 HydrophobicContact CB-CE1 4.03Å; W1192-F1253 HydrophobicContact CB-CG 4.24Å; W1192-F1253 HydrophobicContact CG-CD1 4.27Å; W1192-F1253 HydrophobicContact CG-CE1 4.29Å; V1251-F1253 HydrophobicContact CB-CE2 4.24Å; V1251-F1253 HydrophobicContact CB-CZ 4.47Å; V1251-F1253 HydrophobicContact CG1-CD2 4.14Å; V1251-F1253 HydrophobicContact CG1-CE1 4.16Å; V1251-F1253 HydrophobicContact CG1-CE2 3.64Å; V1251-F1253 HydrophobicContact CG1-CZ 3.65Å; F1253-L1264 CarbonylContact O-C 3.58Å; F1253-L1264 WeakPolarHBondContact O-CA 3.4Å; F1253-L1265 HydrophobicContact CB-CB 4.19Å; F1253-L1265 HydrophobicContact CB-CD2 4.45Å; F1253-L1265 HydrophobicContact CD2-CB 4.43Å; F1253-L1265 HydrophobicContact CD2-CD2 4.25Å; F1253-L1265 HydrophobicContact CD2-CG 4.43Å; F1253-L1265 PolarHBondContact N-O 3.22Å; F1253-L1265 PolarHBondContact O-N 3.08Å |
| 1254 | I | 88 | Confident | 82.4 | Confident | 0.2 Ų | 0.2 | 35.9 Ų | 35.9 | 0% | 0.001 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 127.8 | -174 | -51.3 | 174.3 | 0 | 0 | 0 | 108.2 | L1082 L1085 C1086 H1189 T1190 N1191 V1193 M1263 L1264 | L1082-I1254 HydrophobicContact CD2-CD1 3.71Å; L1082-I1254 HydrophobicContact CD2-CG1 4.38Å; L1082-I1254 HydrophobicContact CD2-CG2 4.43Å; L1085-I1254 HydrophobicContact CB-CD1 4.17Å; L1085-I1254 HydrophobicContact CD1-CD1 4.1Å; C1086-I1254 VanDerWaalsContact SG-CG2 3.55Å; C1086-I1254 WeakPolarHBondContact SG-CG2 3.35Å; H1189-I1254 WeakPolarHBondContact CB-O 3.31Å; T1190-I1254 WeakPolarHBondContact CB-O 3.29Å; T1190-I1254 PolarHBondContact N-O 3.2Å; T1190-I1254 PolarHBondContact OG1-O 2.92Å; N1191-I1254 PolarHBondContact N-O 2.98Å; N1191-I1254 PolarHBondContact O-N 2.97Å; V1193-I1254 HydrophobicContact CG2-CD1 3.98Å; I1254-M1263 WeakPolarHBondContact CA-O 3.33Å; I1254-L1264 HydrophobicContact CB-CD2 4.29Å; I1254-L1264 HydrophobicContact CD1-CD2 4.46Å; I1254-L1264 HydrophobicContact CG1-CD2 3.86Å; I1254-L1264 HydrophobicContact CG2-CD2 3.94Å |
| 1255 | R | 86.1 | Confident | 83.8 | Confident | 65.8 Ų | 65.8 | 28.9 Ų | 28.9 | 25% | 0.248 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.4 | 173 | -176.5 | 173.6 | -178.5 | -178.8 | -1.7 | 110.4 | I1257 M1263 | R1255-I1257 HydrophobicContact CG-CG1 4.22Å; R1255-M1263 PolarHBondContact N-O 3.23Å; R1255-M1263 PolarHBondContact O-N 3.16Å |
| 1256 | Q | 82.9 | Confident | 84.7 | Confident | 63.2 Ų | 63.2 | 27.7 Ų | 27.7 | 30% | 0.295 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.1 | 167.6 | -173.5 | 171.4 | -2.5 | 0 | 0 | 109.2 | C1086 H1087 T1190 G1258 | C1086-Q1256 HydrophobicContact CB-CB 4.17Å; H1087-Q1256 PolarHBondContact CE1-OE1 2.97Å; H1087-Q1256 VanDerWaalsContact CE1-OE1 3.29Å; T1190-Q1256 PolarHBondContact OG1-N 3.17Å; Q1256-G1258 VanDerWaalsContact CG-O 3.28Å; Q1256-G1258 WeakPolarHBondContact CG-O 3.36Å; Q1256-G1258 PolarHBondContact NE2-O 3.35Å; Q1256-G1258 VanDerWaalsContact NE2-O 3.09Å |
| 1257 | I | 76.7 | Confident | 85.2 | Confident | 45 Ų | 45 | 20.8 Ų | 20.8 | 23% | 0.231 | 11% | 0.113 | C | C | . | . | trans | -107.6 | -35.1 | 178.9 | -68.6 | -178.5 | 0 | 0 | 0 | 110.9 | R1255 H1261 M1263 F1387 F1389 Y1392 | R1255-I1257 HydrophobicContact CG-CG1 4.22Å; I1257-H1261 HydrophobicContact CB-CB 4.09Å; I1257-H1261 HydrophobicContact CG2-CB 4.26Å; I1257-H1261 PolarHBondContact N-O 3.03Å; I1257-H1261 VanDerWaalsContact N-O 3.11Å; I1257-M1263 HydrophobicContact CD1-CB 3.99Å; I1257-M1263 HydrophobicContact CD1-CE 4.39Å; I1257-M1263 HydrophobicContact CD1-CG 3.17Å; I1257-M1263 HydrophobicContact CD1-SD 4.44Å; I1257-M1263 HydrophobicContact CG1-CB 4.43Å; I1257-M1263 HydrophobicContact CG1-CG 3.87Å; I1257-F1387 HydrophobicContact CB-CD2 4.35Å; I1257-F1387 HydrophobicContact CB-CE2 4.29Å; I1257-F1387 HydrophobicContact CB-CG 4.4Å; I1257-F1387 HydrophobicContact CB-CZ 4.42Å; I1257-F1387 HydrophobicContact CD1-CD1 3.74Å; I1257-F1387 HydrophobicContact CD1-CD2 4.23Å; I1257-F1387 HydrophobicContact CD1-CE1 3.89Å; I1257-F1387 VanDerWaalsContact CD1-CE1 3.45Å; I1257-F1387 HydrophobicContact CD1-CE2 3.63Å; I1257-F1387 HydrophobicContact CD1-CG 4.31Å; I1257-F1387 HydrophobicContact CD1-CZ 3.39Å; I1257-F1387 HydrophobicContact CG1-CD1 4.07Å; I1257-F1387 HydrophobicContact CG1-CD2 3.96Å; I1257-F1387 HydrophobicContact CG1-CE1 3.89Å; I1257-F1387 HydrophobicContact CG1-CE2 4.01Å; I1257-F1387 VanDerWaalsContact CG1-CE2 3.49Å; I1257-F1387 HydrophobicContact CG1-CG 4.15Å; I1257-F1387 HydrophobicContact CG1-CZ 4.02Å; I1257-F1387 HydrophobicContact CG2-CB 3.86Å; I1257-F1387 HydrophobicContact CG2-CD1 3.88Å; I1257-F1387 HydrophobicContact CG2-CD2 3.39Å; I1257-F1387 HydrophobicContact CG2-CE1 4.14Å; I1257-F1387 HydrophobicContact CG2-CE2 3.57Å; I1257-F1387 HydrophobicContact CG2-CG 3.36Å; I1257-F1387 HydrophobicContact CG2-CZ 3.9Å; I1257-F1389 HydrophobicContact CD1-CE1 3.96Å; I1257-F1389 HydrophobicContact CD1-CZ 4.21Å; I1257-Y1392 HydrophobicContact CD1-CD1 4.42Å; I1257-Y1392 HydrophobicContact CD1-CD2 3.81Å; I1257-Y1392 HydrophobicContact CD1-CE2 4.08Å; I1257-Y1392 HydrophobicContact CD1-CG 4.12Å | ||
| 1258 | G | 71.8 | Confident | 85.5 | Confident | 25 Ų | 25 | 20.7 Ų | 20.7 | 26% | 0.258 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -147.5 | -166.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q1256 H1260 H1261 | Q1256-G1258 VanDerWaalsContact CG-O 3.28Å; Q1256-G1258 WeakPolarHBondContact CG-O 3.36Å; Q1256-G1258 PolarHBondContact NE2-O 3.35Å; Q1256-G1258 VanDerWaalsContact NE2-O 3.09Å; G1258-H1260 VanDerWaalsContact C-N 3.29Å; G1258-H1260 PolarHBondContact O-N 3.3Å; G1258-H1261 PolarHBondContact N-O 3.35Å |
| 1259 | A | 69.4 | Low | 85.5 | Confident | 69.6 Ų | 69.6 | 20.9 Ų | 20.9 | 58% | 0.575 | 11% | 0.114 | S | C | * | . | S | Bend | trans | -65.2 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1262 | A1259-R1262 VanDerWaalsContact O-CZ 3.23Å; A1259-R1262 PolarHBondContact O-NH1 3.01Å; A1259-R1262 PolarHBondContact O-NH2 2.99Å |
| 1260 | H | 73.1 | Confident | 85.5 | Confident | 60.4 Ų | 60.4 | 20.2 Ų | 20.2 | 28% | 0.28 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -109.8 | -26.1 | -170.8 | -65.1 | -70.5 | 0 | 0 | 0 | 114.3 | Y626 G1258 R1262 R1314 E1315 | Y626-H1260 PolarHBondContact OH-CE1 3.15Å; Y626-H1260 VanDerWaalsContact OH-CE1 3.29Å; G1258-H1260 VanDerWaalsContact C-N 3.29Å; G1258-H1260 PolarHBondContact O-N 3.3Å; H1260-R1262 PolarHBondContact O-NH1 3.22Å; H1260-R1314 PolarHBondContact O-N 3.07Å; H1260-E1315 VanDerWaalsContact CB-OE2 3.24Å; H1260-E1315 WeakPolarHBondContact CB-OE2 3.46Å; H1260-E1315 IonicContact CE1-OE1 3.43Å; H1260-E1315 PolarHBondContact CE1-OE1 3.12Å; H1260-E1315 VanDerWaalsContact CE1-OE1 3.3Å; H1260-E1315 IonicContact CE1-OE2 2.92Å; H1260-E1315 IonicContact CG-OE1 3.24Å; H1260-E1315 IonicContact CG-OE2 2.98Å; H1260-E1315 IonicContact ND1-OE1 3.39Å; H1260-E1315 PolarHBondContact ND1-OE1 3.3Å; H1260-E1315 IonicContact ND1-OE2 3.07Å; H1260-E1315 PolarHBondContact ND1-OE2 3.01Å; H1260-E1315 VanDerWaalsContact ND1-OE2 3.1Å |
| 1261 | H | 79.5 | Confident | 85.5 | Confident | 16.6 Ų | 16.6 | 20.4 Ų | 20.4 | 8% | 0.077 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.9 | -176.6 | -74.8 | -98.7 | 0 | 0 | 0 | 112.8 | I1257 G1258 M1263 D1311 C1313 C1380 C1381 I1384 | I1257-H1261 HydrophobicContact CB-CB 4.09Å; I1257-H1261 HydrophobicContact CG2-CB 4.26Å; I1257-H1261 PolarHBondContact N-O 3.03Å; I1257-H1261 VanDerWaalsContact N-O 3.11Å; G1258-H1261 PolarHBondContact N-O 3.35Å; H1261-M1263 HydrophobicContact CB-CE 4.27Å; H1261-D1311 IonicContact CE1-OD1 3.38Å; H1261-D1311 IonicContact CE1-OD2 3.28Å; H1261-D1311 PolarHBondContact CE1-OD2 3.13Å; H1261-D1311 IonicContact CG-OD1 2.83Å; H1261-D1311 IonicContact ND1-OD1 3.39Å; H1261-D1311 PolarHBondContact ND1-OD1 3.18Å; H1261-D1311 IonicContact ND1-OD2 3.39Å; H1261-D1311 PolarHBondContact ND1-OD2 3.07Å; H1261-D1311 VanDerWaalsContact ND1-OD2 3.11Å; H1261-C1313 VanDerWaalsContact CE1-CB 3.48Å; H1261-C1313 WeakPolarHBondContact CE1-CB 3.42Å; H1261-C1313 PolarHBondContact NE2-SG 3.14Å; H1261-C1380 VanDerWaalsContact CE1-SG 3.57Å; H1261-C1381 PolarHBondContact NE2-SG 2.93Å; H1261-I1384 VanDerWaalsContact CD2-CD1 3.44Å; H1261-I1384 WeakPolarHBondContact CD2-CD1 3.3Å; H1261-I1384 VanDerWaalsContact NE2-CD1 3.27Å; H1261-I1384 WeakPolarHBondContact NE2-CD1 3.45Å; H1261-I1384 VanDerWaalsContact NE2-CG1 3.31Å; H1261-I1384 WeakPolarHBondContact NE2-CG1 3.26Å |
| 1262 | R | 85.1 | Confident | 85.4 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.6 | 171.4 | -61.4 | 175.4 | -176.6 | 136.4 | 12 | 108.7 | V1079 E1080 K1083 A1259 H1260 C1312 | V1079-R1262 PolarHBondContact O-NH1 2.9Å; E1080-R1262 IonicContact OE2-CZ 2.72Å; E1080-R1262 IonicContact OE2-NH1 3.08Å; E1080-R1262 PolarHBondContact OE2-NH1 3.13Å; E1080-R1262 IonicContact OE2-NH2 3.97Å; E1080-R1262 PolarHBondContact OE2-NH2 2.76Å; K1083-R1262 VanDerWaalsContact CA-NE 3.31Å; K1083-R1262 VanDerWaalsContact CB-CZ 3.43Å; K1083-R1262 VanDerWaalsContact CB-NH2 3.26Å; K1083-R1262 VanDerWaalsContact CD-NH2 3.33Å; A1259-R1262 VanDerWaalsContact O-CZ 3.23Å; A1259-R1262 PolarHBondContact O-NH1 3.01Å; A1259-R1262 PolarHBondContact O-NH2 2.99Å; H1260-R1262 PolarHBondContact O-NH1 3.22Å; R1262-C1312 HydrophobicContact CB-CB 4.38Å; R1262-C1312 PolarHBondContact N-O 3.1Å; R1262-C1312 VanDerWaalsContact N-O 3.13Å; R1262-C1312 WeakPolarHBondContact O-CA 3.37Å; R1262-C1312 VanDerWaalsContact O-CB 3.29Å; R1262-C1312 WeakPolarHBondContact O-CB 3.37Å; R1262-C1312 PolarHBondContact O-N 3.03Å |
| 1263 | M | 86.5 | Confident | 85.3 | Confident | 0.2 Ų | 0.2 | 23.5 Ų | 23.5 | 0% | 0.001 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131 | 175.4 | -79.7 | -46.7 | 176 | 0 | 0 | 110 | I1254 R1255 I1257 H1261 V1309 I1310 D1311 F1387 F1389 Y1392 | I1254-M1263 WeakPolarHBondContact CA-O 3.33Å; R1255-M1263 PolarHBondContact N-O 3.23Å; R1255-M1263 PolarHBondContact O-N 3.16Å; I1257-M1263 HydrophobicContact CD1-CB 3.99Å; I1257-M1263 HydrophobicContact CD1-CE 4.39Å; I1257-M1263 HydrophobicContact CD1-CG 3.17Å; I1257-M1263 HydrophobicContact CD1-SD 4.44Å; I1257-M1263 HydrophobicContact CG1-CB 4.43Å; I1257-M1263 HydrophobicContact CG1-CG 3.87Å; H1261-M1263 HydrophobicContact CB-CE 4.27Å; M1263-V1309 HydrophobicContact CE-CG1 3.38Å; M1263-V1309 HydrophobicContact CG-CG1 4.12Å; M1263-V1309 HydrophobicContact SD-CG1 4.16Å; M1263-V1309 WeakPolarHBondContact SD-CG1 3.4Å; M1263-I1310 WeakPolarHBondContact CA-O 3.35Å; M1263-I1310 VanDerWaalsContact SD-C 3.54Å; M1263-D1311 HydrophobicContact CE-CB 4.01Å; M1263-D1311 WeakPolarHBondContact CE-OD1 3.3Å; M1263-D1311 HydrophobicContact SD-CB 3.87Å; M1263-F1387 HydrophobicContact CE-CD1 4.42Å; M1263-F1387 HydrophobicContact CE-CE1 3.83Å; M1263-F1387 HydrophobicContact CE-CZ 4.04Å; M1263-F1387 HydrophobicContact CG-CE1 4.33Å; M1263-F1387 HydrophobicContact CG-CZ 4.15Å; M1263-F1387 HydrophobicContact SD-CE1 4.32Å; M1263-F1389 HydrophobicContact CE-CD1 3.96Å; M1263-F1389 HydrophobicContact CE-CD2 3.79Å; M1263-F1389 HydrophobicContact CE-CE1 3.48Å; M1263-F1389 HydrophobicContact CE-CE2 3.64Å; M1263-F1389 HydrophobicContact CE-CZ 3.78Å; M1263-F1389 HydrophobicContact SD-CD2 4.45Å; M1263-F1389 HydrophobicContact SD-CE1 3.76Å; M1263-F1389 HydrophobicContact SD-CE2 4.27Å; M1263-F1389 HydrophobicContact SD-CZ 4.33Å; M1263-Y1392 HydrophobicContact CB-CE1 4.21Å; M1263-Y1392 HydrophobicContact CE-CD1 3.75Å; M1263-Y1392 VanDerWaalsContact CE-CD1 3.45Å; M1263-Y1392 HydrophobicContact CE-CE1 3.76Å; M1263-Y1392 HydrophobicContact CE-CG 4.23Å; M1263-Y1392 HydrophobicContact CG-CD1 4.35Å; M1263-Y1392 HydrophobicContact CG-CE1 4.03Å; M1263-Y1392 HydrophobicContact SD-CE1 4.49Å |
| 1264 | L | 89.8 | Confident | 85.3 | Confident | 1.6 Ų | 1.6 | 23.5 Ų | 23.5 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.3 | 170.3 | -49.6 | 176.1 | 0 | 0 | 0 | 108.9 | L1082 L1142 L1145 F1253 I1254 V1309 I1310 C1312 | L1082-L1264 HydrophobicContact CD1-CD1 3.89Å; L1082-L1264 HydrophobicContact CD1-CD2 4.06Å; L1082-L1264 HydrophobicContact CD1-CG 4.41Å; L1082-L1264 HydrophobicContact CD2-CD2 3.82Å; L1082-L1264 HydrophobicContact CG-CD2 4.47Å; L1142-L1264 HydrophobicContact CD2-CD1 3.95Å; L1145-L1264 HydrophobicContact CD2-CD1 4.31Å; F1253-L1264 CarbonylContact O-C 3.58Å; F1253-L1264 WeakPolarHBondContact O-CA 3.4Å; I1254-L1264 HydrophobicContact CB-CD2 4.29Å; I1254-L1264 HydrophobicContact CD1-CD2 4.46Å; I1254-L1264 HydrophobicContact CG1-CD2 3.86Å; I1254-L1264 HydrophobicContact CG2-CD2 3.94Å; L1264-V1309 CarbonylContact O-C 3.6Å; L1264-V1309 WeakPolarHBondContact O-CA 3.38Å; L1264-I1310 HydrophobicContact CB-CB 4.19Å; L1264-I1310 HydrophobicContact CB-CD1 4.31Å; L1264-I1310 PolarHBondContact N-O 3.04Å; L1264-I1310 PolarHBondContact O-N 3.18Å; L1264-C1312 VanDerWaalsContact CD1-SG 3.53Å; L1264-C1312 WeakPolarHBondContact CD1-SG 3.49Å |
| 1265 | L | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 107.8 | 177.1 | -179.9 | 72.4 | 0 | 0 | 0 | 108.8 | L1185 C1252 F1253 L1307 F1308 V1309 I1396 | L1185-L1265 HydrophobicContact CD1-CD2 3.79Å; L1185-L1265 HydrophobicContact CD2-CD2 3.76Å; L1185-L1265 HydrophobicContact CG-CD2 4.36Å; C1252-L1265 CarbonylContact C-O 3.54Å; C1252-L1265 VanDerWaalsContact CA-O 3.28Å; C1252-L1265 WeakPolarHBondContact CA-O 3.4Å; F1253-L1265 HydrophobicContact CB-CB 4.19Å; F1253-L1265 HydrophobicContact CB-CD2 4.45Å; F1253-L1265 HydrophobicContact CD2-CB 4.43Å; F1253-L1265 HydrophobicContact CD2-CD2 4.25Å; F1253-L1265 HydrophobicContact CD2-CG 4.43Å; F1253-L1265 PolarHBondContact N-O 3.22Å; F1253-L1265 PolarHBondContact O-N 3.08Å; L1265-L1307 HydrophobicContact CD1-CB 4.08Å; L1265-L1307 HydrophobicContact CD1-CD1 4.45Å; L1265-L1307 HydrophobicContact CD1-CD2 3.74Å; L1265-L1307 HydrophobicContact CD1-CG 4.32Å; L1265-L1307 HydrophobicContact CD2-CD2 4.01Å; L1265-L1307 HydrophobicContact CG-CD2 3.87Å; L1265-L1307 HydrophobicContact CG-CG 4.34Å; L1265-F1308 CarbonylContact C-O 3.47Å; L1265-F1308 WeakPolarHBondContact CA-O 3.28Å; L1265-V1309 HydrophobicContact CD1-CB 4.41Å; L1265-V1309 HydrophobicContact CD1-CG2 3.64Å; L1265-V1309 VanDerWaalsContact CD1-CG2 3.5Å; L1265-I1396 HydrophobicContact CD1-CD1 3.97Å; L1265-I1396 HydrophobicContact CD2-CD1 4.29Å |
| 1266 | L | 92.3 | Very high | 85.3 | Confident | 2.2 Ų | 2.2 | 22.9 Ų | 22.9 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.6 | 174.4 | -56.4 | 165.8 | 0 | 0 | 0 | 110.2 | L1146 I1195 L1204 I1208 V1251 C1252 L1307 F1308 I1310 | L1146-L1266 HydrophobicContact CD1-CD1 4.3Å; I1195-L1266 HydrophobicContact CD1-CD2 4.11Å; L1204-L1266 HydrophobicContact CD1-CD1 4.35Å; L1204-L1266 HydrophobicContact CD2-CD1 4.43Å; I1208-L1266 HydrophobicContact CD1-CD1 4.09Å; V1251-L1266 CarbonylContact O-C 3.55Å; V1251-L1266 WeakPolarHBondContact O-CA 3.41Å; C1252-L1266 HydrophobicContact CB-CD2 3.5Å; C1252-L1266 VanDerWaalsContact CB-CD2 3.47Å; L1266-L1307 WeakPolarHBondContact O-CA 3.49Å; L1266-F1308 HydrophobicContact CB-CB 4.08Å; L1266-F1308 HydrophobicContact CB-CD2 4.09Å; L1266-F1308 HydrophobicContact CD1-CB 4.43Å; L1266-F1308 PolarHBondContact N-O 2.98Å; L1266-F1308 PolarHBondContact O-N 3.16Å; L1266-I1310 HydrophobicContact CD1-CD1 3.61Å; L1266-I1310 HydrophobicContact CG-CD1 4.03Å |
| 1267 | S | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.2 | 175.6 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | H1182 L1250 V1251 A1269 L1307 | H1182-S1267 PolarHBondContact NE2-OG 3.22Å; H1182-S1267 VanDerWaalsContact NE2-OG 3.12Å; L1250-S1267 CarbonylContact C-O 3.52Å; L1250-S1267 VanDerWaalsContact CA-O 3.29Å; L1250-S1267 WeakPolarHBondContact CA-O 3.36Å; L1250-S1267 WeakPolarHBondContact CD2-O 3.3Å; V1251-S1267 PolarHBondContact N-O 3.25Å; V1251-S1267 PolarHBondContact O-N 3.06Å; S1267-A1269 PolarHBondContact O-N 3.23Å; S1267-L1307 VanDerWaalsContact CB-CD2 3.44Å; S1267-L1307 WeakPolarHBondContact OG-CD2 3.4Å |
| 1268 | P | 92.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49 | 138.3 | 162.5 | -25.6 | 34.7 | 0 | 0 | 0 | 110.4 | F1178 H1182 K1249 T1270 D1273 V1274 F1305 P1306 | F1178-P1268 HydrophobicContact CE1-CB 4.25Å; F1178-P1268 VanDerWaalsContact CE1-O 3.3Å; F1178-P1268 WeakPolarHBondContact CE1-O 3.25Å; F1178-P1268 HydrophobicContact CZ-CB 4.17Å; F1178-P1268 HydrophobicContact CZ-CG 4.4Å; F1178-P1268 WeakPolarHBondContact CZ-O 3.47Å; H1182-P1268 PolarHBondContact CE1-O 3.23Å; H1182-P1268 PolarHBondContact NE2-O 3Å; K1249-P1268 CarbonylContact O-C 3.51Å; K1249-P1268 WeakPolarHBondContact O-CA 3.37Å; P1268-T1270 VanDerWaalsContact C-N 3.28Å; P1268-T1270 PolarHBondContact O-N 3.28Å; P1268-D1273 HydrophobicContact CB-CB 4.25Å; P1268-V1274 HydrophobicContact CB-CG2 3.81Å; P1268-V1274 HydrophobicContact CG-CG2 4.1Å; P1268-F1305 HydrophobicContact CG-CB 4.47Å; P1268-F1305 HydrophobicContact CG-CD2 4.47Å; P1268-P1306 VanDerWaalsContact CD-O 3.28Å; P1268-P1306 WeakPolarHBondContact CD-O 3.4Å |
| 1269 | A | 88.4 | Confident | 86.2 | Confident | 4.8 Ų | 4.8 | 17.3 Ų | 17.3 | 4% | 0.04 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -74.7 | -28.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | H1182 F1194 K1249 V1251 S1267 D1273 | H1182-A1269 PolarHBondContact CE1-O 3.09Å; H1182-A1269 VanDerWaalsContact CE1-O 3.23Å; H1182-A1269 PolarHBondContact ND1-O 3.03Å; F1194-A1269 HydrophobicContact CD2-CB 4.4Å; F1194-A1269 HydrophobicContact CE1-CB 4.13Å; F1194-A1269 HydrophobicContact CE2-CB 3.65Å; F1194-A1269 HydrophobicContact CZ-CB 3.91Å; F1194-A1269 VanDerWaalsContact CZ-CB 3.45Å; K1249-A1269 HydrophobicContact CB-CB 3.79Å; K1249-A1269 PolarHBondContact O-N 3.01Å; V1251-A1269 HydrophobicContact CG2-CB 3.75Å; S1267-A1269 PolarHBondContact O-N 3.23Å; A1269-D1273 WeakPolarHBondContact CB-OD2 3.35Å |
| 1270 | T | 89.8 | Confident | 86.1 | Confident | 59.8 Ų | 59.8 | 16.8 Ų | 16.8 | 37% | 0.367 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -146.9 | 166.5 | 178.2 | 64.9 | 0 | 0 | 0 | 0 | 110.4 | P1268 Q1272 D1273 V1274 | P1268-T1270 VanDerWaalsContact C-N 3.28Å; P1268-T1270 PolarHBondContact O-N 3.28Å; T1270-Q1272 PolarHBondContact O-N 3.12Å; T1270-Q1272 WeakPolarHBondContact OG1-CB 3.41Å; T1270-Q1272 PolarHBondContact OG1-N 3.23Å; T1270-D1273 WeakPolarHBondContact CB-OD2 3.29Å; T1270-D1273 PolarHBondContact N-OD2 3.06Å; T1270-D1273 VanDerWaalsContact N-OD2 3.11Å; T1270-D1273 WeakPolarHBondContact O-CB 3.26Å; T1270-D1273 PolarHBondContact O-N 3.23Å; T1270-D1273 PolarHBondContact OG1-N 2.93Å; T1270-D1273 PolarHBondContact OG1-OD2 3.27Å; T1270-V1274 PolarHBondContact O-N 3.17Å |
| 1271 | F | 89.8 | Confident | 85.5 | Confident | 4.4 Ų | 4.4 | 17.6 Ų | 17.6 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.2 | -31 | 169.7 | 179.9 | -113.4 | 0 | 0 | 0 | 112.4 | T1158 V1161 A1171 N1174 F1178 D1273 V1274 R1275 L1303 | T1158-F1271 HydrophobicContact CG2-CE2 4.15Å; V1161-F1271 HydrophobicContact CB-CZ 4.4Å; V1161-F1271 HydrophobicContact CG1-CE1 4.36Å; V1161-F1271 HydrophobicContact CG1-CZ 3.76Å; V1161-F1271 HydrophobicContact CG2-CE2 4.11Å; V1161-F1271 HydrophobicContact CG2-CZ 3.73Å; A1171-F1271 HydrophobicContact CB-CE1 3.87Å; A1171-F1271 WeakPolarHBondContact O-CD1 3.31Å; N1174-F1271 HydrophobicContact CB-CD1 3.82Å; N1174-F1271 HydrophobicContact CB-CD2 3.64Å; N1174-F1271 HydrophobicContact CB-CE1 3.75Å; N1174-F1271 HydrophobicContact CB-CE2 3.56Å; N1174-F1271 HydrophobicContact CB-CG 3.77Å; N1174-F1271 HydrophobicContact CB-CZ 3.63Å; F1178-F1271 HydrophobicContact CB-CB 4.43Å; F1178-F1271 HydrophobicContact CD2-CB 4.15Å; F1178-F1271 HydrophobicContact CD2-CD2 4.2Å; F1178-F1271 HydrophobicContact CE2-CD2 4.29Å; F1178-F1271 HydrophobicContact CG-CB 4.26Å; F1271-D1273 VanDerWaalsContact C-N 3.28Å; F1271-D1273 PolarHBondContact O-N 3.22Å; F1271-V1274 HydrophobicContact CD2-CB 4.33Å; F1271-V1274 WeakPolarHBondContact O-CA 3.4Å; F1271-V1274 WeakPolarHBondContact O-CB 3.42Å; F1271-V1274 PolarHBondContact O-N 3.16Å; F1271-V1274 VanDerWaalsContact O-N 3.1Å; F1271-R1275 HydrophobicContact CD1-CG 4.26Å; F1271-R1275 HydrophobicContact CE1-CG 3.84Å; F1271-R1275 HydrophobicContact CE2-CG 4.48Å; F1271-R1275 HydrophobicContact CZ-CG 4Å; F1271-R1275 WeakPolarHBondContact O-CG 3.34Å; F1271-R1275 PolarHBondContact O-N 3.2Å; F1271-L1303 HydrophobicContact CE2-CD1 4.49Å |
| 1272 | Q | 87.7 | Confident | 84.3 | Confident | 59.2 Ų | 59.2 | 20.7 Ų | 20.7 | 28% | 0.277 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -63 | -36.1 | 173.6 | -171.7 | 67 | 5.7 | 0 | 0 | 111.9 | T1270 V1274 R1275 L1276 E1285 | T1270-Q1272 PolarHBondContact O-N 3.12Å; T1270-Q1272 WeakPolarHBondContact OG1-CB 3.41Å; T1270-Q1272 PolarHBondContact OG1-N 3.23Å; Q1272-V1274 VanDerWaalsContact C-N 3.31Å; Q1272-V1274 PolarHBondContact O-N 2.96Å; Q1272-R1275 VanDerWaalsContact NE2-NH1 3.15Å; Q1272-R1275 WeakPolarHBondContact O-CB 3.34Å; Q1272-R1275 PolarHBondContact O-N 3.13Å; Q1272-L1276 WeakPolarHBondContact O-CG 3.37Å; Q1272-L1276 PolarHBondContact O-N 2.94Å; Q1272-E1285 VanDerWaalsContact NE2-CD 3.3Å; Q1272-E1285 PolarHBondContact NE2-OE1 2.99Å; Q1272-E1285 PolarHBondContact NE2-OE2 3.34Å; Q1272-E1285 VanDerWaalsContact NE2-OE2 3.14Å |
| 1273 | D | 89.2 | Confident | 82.7 | Confident | 8.4 Ų | 8.4 | 30.1 Ų | 30.1 | 5% | 0.045 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.5 | -32.9 | 174.3 | -62.3 | -68.3 | 0 | 0 | 0 | 111.7 | P1248 K1249 P1268 A1269 T1270 F1271 L1276 L1277 | P1248-D1273 HydrophobicContact CB-CB 4.1Å; K1249-D1273 WeakPolarHBondContact CB-OD1 3.26Å; K1249-D1273 PolarHBondContact N-OD1 3.2Å; P1268-D1273 HydrophobicContact CB-CB 4.25Å; A1269-D1273 WeakPolarHBondContact CB-OD2 3.35Å; T1270-D1273 WeakPolarHBondContact CB-OD2 3.29Å; T1270-D1273 PolarHBondContact N-OD2 3.06Å; T1270-D1273 VanDerWaalsContact N-OD2 3.11Å; T1270-D1273 WeakPolarHBondContact O-CB 3.26Å; T1270-D1273 PolarHBondContact O-N 3.23Å; T1270-D1273 PolarHBondContact OG1-N 2.93Å; T1270-D1273 PolarHBondContact OG1-OD2 3.27Å; F1271-D1273 VanDerWaalsContact C-N 3.28Å; F1271-D1273 PolarHBondContact O-N 3.22Å; D1273-L1276 WeakPolarHBondContact O-CB 3.42Å; D1273-L1276 PolarHBondContact O-N 3.04Å; D1273-L1277 PolarHBondContact O-N 3.1Å |
| 1274 | V | 89.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 169.8 | 180 | 0 | 0 | 0 | 0 | 110.9 | T1158 F1178 P1268 T1270 F1271 Q1272 L1276 L1277 Y1278 L1303 F1305 | T1158-V1274 HydrophobicContact CG2-CG1 4.26Å; F1178-V1274 HydrophobicContact CE1-CG2 4.22Å; F1178-V1274 HydrophobicContact CE2-CG2 3.96Å; F1178-V1274 HydrophobicContact CZ-CG2 3.78Å; P1268-V1274 HydrophobicContact CB-CG2 3.81Å; P1268-V1274 HydrophobicContact CG-CG2 4.1Å; T1270-V1274 PolarHBondContact O-N 3.17Å; F1271-V1274 HydrophobicContact CD2-CB 4.33Å; F1271-V1274 WeakPolarHBondContact O-CA 3.4Å; F1271-V1274 WeakPolarHBondContact O-CB 3.42Å; F1271-V1274 PolarHBondContact O-N 3.16Å; F1271-V1274 VanDerWaalsContact O-N 3.1Å; Q1272-V1274 VanDerWaalsContact C-N 3.31Å; Q1272-V1274 PolarHBondContact O-N 2.96Å; V1274-L1276 VanDerWaalsContact C-N 3.27Å; V1274-L1276 PolarHBondContact O-N 2.93Å; V1274-L1277 VanDerWaalsContact O-CB 3.26Å; V1274-L1277 WeakPolarHBondContact O-CB 3.31Å; V1274-L1277 PolarHBondContact O-N 3.19Å; V1274-L1277 VanDerWaalsContact O-N 3.09Å; V1274-Y1278 WeakPolarHBondContact O-CD2 3.39Å; V1274-L1303 HydrophobicContact CG1-CD1 4.41Å; V1274-F1305 HydrophobicContact CB-CB 4.49Å; V1274-F1305 HydrophobicContact CG1-CB 3.89Å; V1274-F1305 HydrophobicContact CG2-CB 3.92Å; V1274-F1305 HydrophobicContact CG2-CG 4.35Å |
| 1275 | R | 87.2 | Confident | 79.6 | Confident | 32.6 Ų | 32.6 | 42.6 Ų | 42.6 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | 175.4 | -64.4 | 173.9 | 74.7 | -145.2 | 3 | 112 | E1168 F1271 Q1272 L1277 Y1278 C1279 E1285 I1287 | E1168-R1275 IonicContact OE1-CZ 2.98Å; E1168-R1275 IonicContact OE1-NE 3.39Å; E1168-R1275 IonicContact OE1-NH2 3.49Å; E1168-R1275 PolarHBondContact OE1-NH2 2.84Å; E1168-R1275 IonicContact OE2-CZ 3.3Å; E1168-R1275 VanDerWaalsContact OE2-CZ 3.22Å; E1168-R1275 IonicContact OE2-NE 3.39Å; E1168-R1275 PolarHBondContact OE2-NE 3.05Å; E1168-R1275 IonicContact OE2-NH2 3.38Å; E1168-R1275 PolarHBondContact OE2-NH2 3.16Å; F1271-R1275 HydrophobicContact CD1-CG 4.26Å; F1271-R1275 HydrophobicContact CE1-CG 3.84Å; F1271-R1275 HydrophobicContact CE2-CG 4.48Å; F1271-R1275 HydrophobicContact CZ-CG 4Å; F1271-R1275 WeakPolarHBondContact O-CG 3.34Å; F1271-R1275 PolarHBondContact O-N 3.2Å; Q1272-R1275 VanDerWaalsContact NE2-NH1 3.15Å; Q1272-R1275 WeakPolarHBondContact O-CB 3.34Å; Q1272-R1275 PolarHBondContact O-N 3.13Å; R1275-L1277 VanDerWaalsContact C-N 3.28Å; R1275-L1277 PolarHBondContact O-N 3.15Å; R1275-Y1278 PolarHBondContact O-N 3.18Å; R1275-C1279 PolarHBondContact O-N 3.19Å; R1275-C1279 VanDerWaalsContact O-N 3.14Å; R1275-C1279 PolarHBondContact O-SG 3.32Å; R1275-C1279 VanDerWaalsContact O-SG 3.37Å; R1275-E1285 VanDerWaalsContact CZ-O 3.3Å; R1275-E1285 PolarHBondContact NH2-O 3.32Å; R1275-I1287 HydrophobicContact CB-CD1 4.16Å; R1275-I1287 HydrophobicContact CG-CD1 4.07Å |
| 1276 | L | 86.9 | Confident | 78.4 | Confident | 20.4 Ų | 20.4 | 45.7 Ų | 45.7 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -22.2 | 175.9 | -72.6 | 175.2 | 0 | 0 | 0 | 113.7 | R1229 R1246 P1248 Q1272 D1273 V1274 Y1278 | R1229-L1276 PolarHBondContact NH1-O 3.17Å; R1229-L1276 PolarHBondContact NH2-O 2.73Å; R1246-L1276 HydrophobicContact CB-CD1 4.39Å; P1248-L1276 HydrophobicContact CG-CB 4.04Å; Q1272-L1276 WeakPolarHBondContact O-CG 3.37Å; Q1272-L1276 PolarHBondContact O-N 2.94Å; D1273-L1276 WeakPolarHBondContact O-CB 3.42Å; D1273-L1276 PolarHBondContact O-N 3.04Å; V1274-L1276 VanDerWaalsContact C-N 3.27Å; V1274-L1276 PolarHBondContact O-N 2.93Å; L1276-Y1278 VanDerWaalsContact C-N 3.28Å; L1276-Y1278 PolarHBondContact O-N 3.1Å |
| 1277 | L | 86.3 | Confident | 77.3 | Confident | 0.2 Ų | 0.2 | 46 Ų | 46 | 0% | 0.001 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.2 | -25.3 | 172.9 | -65.8 | 171 | 0 | 0 | 0 | 112.5 | W1205 W1222 I1225 M1226 P1248 D1273 V1274 R1275 | W1205-L1277 HydrophobicContact CH2-CD2 3.97Å; W1205-L1277 HydrophobicContact CZ2-CD2 4.37Å; W1205-L1277 HydrophobicContact CZ3-CD2 4.38Å; W1222-L1277 HydrophobicContact CB-CB 3.83Å; W1222-L1277 WeakPolarHBondContact CB-O 3.39Å; W1222-L1277 HydrophobicContact CD2-CD1 4.43Å; W1222-L1277 HydrophobicContact CD2-CD2 4.42Å; W1222-L1277 HydrophobicContact CE3-CD2 4.06Å; W1222-L1277 HydrophobicContact CG-CB 4.23Å; W1222-L1277 HydrophobicContact CG-CD1 4.46Å; I1225-L1277 WeakPolarHBondContact CG2-O 3.39Å; M1226-L1277 HydrophobicContact CB-CD2 4.46Å; M1226-L1277 HydrophobicContact CG-CD2 4.13Å; M1226-L1277 HydrophobicContact SD-CD2 4.12Å; P1248-L1277 HydrophobicContact CB-CD2 4.39Å; P1248-L1277 HydrophobicContact CG-CD2 3.77Å; P1248-L1277 HydrophobicContact CG-CG 4.19Å; D1273-L1277 PolarHBondContact O-N 3.1Å; V1274-L1277 VanDerWaalsContact O-CB 3.26Å; V1274-L1277 WeakPolarHBondContact O-CB 3.31Å; V1274-L1277 PolarHBondContact O-N 3.19Å; V1274-L1277 VanDerWaalsContact O-N 3.09Å; R1275-L1277 VanDerWaalsContact C-N 3.28Å; R1275-L1277 PolarHBondContact O-N 3.15Å |
| 1278 | Y | 84.6 | Confident | 76.3 | Confident | 7.2 Ų | 7.2 | 51.1 Ų | 51.1 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -109.1 | -15.1 | -175.5 | -67.4 | -92 | 0 | 0 | 0 | 114.4 | W1222 V1274 R1275 L1276 D1280 L1292 L1303 S1304 | W1222-Y1278 HydrophobicContact CB-CD1 4.3Å; W1222-Y1278 HydrophobicContact CB-CD2 4.36Å; W1222-Y1278 HydrophobicContact CB-CE1 4.03Å; W1222-Y1278 HydrophobicContact CB-CE2 4.02Å; W1222-Y1278 HydrophobicContact CB-CG 4.48Å; W1222-Y1278 AromaticContact CD1-CZ 3.8Å; W1222-Y1278 VanDerWaalsContact CD1-OH 3.31Å; W1222-Y1278 HydrophobicContact CG-CE2 4.38Å; V1274-Y1278 WeakPolarHBondContact O-CD2 3.39Å; R1275-Y1278 PolarHBondContact O-N 3.18Å; L1276-Y1278 VanDerWaalsContact C-N 3.28Å; L1276-Y1278 PolarHBondContact O-N 3.1Å; Y1278-D1280 PolarHBondContact O-N 3Å; Y1278-L1292 HydrophobicContact CD1-CD1 4Å; Y1278-L1292 HydrophobicContact CD1-CD2 3.88Å; Y1278-L1292 HydrophobicContact CE1-CD1 4.48Å; Y1278-L1292 HydrophobicContact CG-CD1 4.42Å; Y1278-L1303 HydrophobicContact CD1-CD2 4.1Å; Y1278-L1303 HydrophobicContact CD2-CB 4.42Å; Y1278-L1303 HydrophobicContact CD2-CD1 4.24Å; Y1278-L1303 HydrophobicContact CD2-CD2 4.02Å; Y1278-L1303 HydrophobicContact CD2-CG 4.44Å; Y1278-L1303 HydrophobicContact CE1-CD2 4.15Å; Y1278-L1303 HydrophobicContact CE2-CB 3.91Å; Y1278-L1303 HydrophobicContact CE2-CD1 4.47Å; Y1278-L1303 HydrophobicContact CE2-CD2 4.09Å; Y1278-L1303 HydrophobicContact CE2-CG 4.38Å; Y1278-L1303 HydrophobicContact CG-CD2 4.02Å; Y1278-S1304 VanDerWaalsContact CE2-O 3.31Å; Y1278-S1304 WeakPolarHBondContact CE2-O 3.4Å; Y1278-S1304 WeakPolarHBondContact OH-CA 3.34Å; Y1278-S1304 PolarHBondContact OH-N 3.24Å; Y1278-S1304 PolarHBondContact OH-O 3.09Å; Y1278-S1304 PolarHBondContact OH-OG 3.03Å |
| 1279 | C | 78.6 | Confident | 75.3 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.054 | 27% | 0.27 | C | S | . | . | trans | -86.3 | 107.3 | -178.3 | -76.4 | 0 | 0 | 0 | 0 | 112.9 | R1229 R1275 S1281 I1287 | R1229-C1279 VanDerWaalsContact CZ-O 3.25Å; R1229-C1279 PolarHBondContact NH1-O 3.01Å; R1229-C1279 PolarHBondContact NH2-O 3.07Å; R1275-C1279 PolarHBondContact O-N 3.19Å; R1275-C1279 VanDerWaalsContact O-N 3.14Å; R1275-C1279 PolarHBondContact O-SG 3.32Å; R1275-C1279 VanDerWaalsContact O-SG 3.37Å; C1279-S1281 VanDerWaalsContact C-N 3.27Å; C1279-S1281 PolarHBondContact O-N 3.06Å; C1279-I1287 VanDerWaalsContact SG-CG1 3.57Å | ||
| 1280 | D | 67.3 | Low | 74.1 | Confident | 59.8 Ų | 59.8 | 57.3 Ų | 57.3 | 32% | 0.32 | 31% | 0.307 | S | S | . | . | trans | -80.6 | -12.4 | 178 | -157.3 | 7.3 | 0 | 0 | 0 | 113.9 | I1225 R1232 Y1278 | I1225-D1280 HydrophobicContact CG2-CB 4.29Å; R1232-D1280 IonicContact CZ-OD1 3.43Å; R1232-D1280 IonicContact CZ-OD2 3.98Å; R1232-D1280 VanDerWaalsContact NH1-CG 3.29Å; R1232-D1280 PolarHBondContact NH1-O 3.2Å; R1232-D1280 IonicContact NH1-OD1 3.14Å; R1232-D1280 PolarHBondContact NH1-OD1 3.1Å; R1232-D1280 IonicContact NH1-OD2 3.44Å; R1232-D1280 PolarHBondContact NH1-OD2 2.87Å; R1232-D1280 VanDerWaalsContact NH2-CG 3.29Å; R1232-D1280 IonicContact NH2-OD1 3.17Å; R1232-D1280 PolarHBondContact NH2-OD1 3.29Å; R1232-D1280 IonicContact NH2-OD2 3.13Å; R1232-D1280 PolarHBondContact NH2-OD2 2.87Å; Y1278-D1280 PolarHBondContact O-N 3Å | ||
| 1281 | S | 60.6 | Low | 72.9 | Confident | 76.4 Ų | 76.4 | 57.9 Ų | 57.9 | 53% | 0.534 | 32% | 0.319 | S | S | . | . | trans | -109.6 | 132.7 | -172.7 | -61.7 | 0 | 0 | 0 | 0 | 113.9 | C1279 R1283 K1284 | C1279-S1281 VanDerWaalsContact C-N 3.27Å; C1279-S1281 PolarHBondContact O-N 3.06Å; S1281-R1283 VanDerWaalsContact C-N 3.28Å; S1281-R1283 PolarHBondContact O-N 3.13Å; S1281-K1284 PolarHBondContact OG-N 3.31Å; S1281-K1284 PolarHBondContact OG-O 3.27Å | ||
| 1282 | S | 55.3 | Low | 71.7 | Confident | 82.6 Ų | 82.6 | 58.8 Ų | 58.8 | 58% | 0.578 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -6.3 | -178.2 | 56.5 | 0 | 0 | 0 | 0 | 115.5 | E1244 | E1244-S1282 WeakPolarHBondContact O-CB 3.47Š|
| 1283 | R | 51 | Low | 70.4 | Confident | 204.4 Ų | 204.4 | 59.4 Ų | 59.4 | 77% | 0.771 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -15.2 | -172.8 | -70.7 | -172.3 | 178.4 | -175.2 | 1.1 | 115.4 | Y1243 S1281 | Y1243-R1283 PolarHBondContact OH-NH2 3.46Å; Y1243-R1283 VanDerWaalsContact OH-NH2 3.14Å; S1281-R1283 VanDerWaalsContact C-N 3.28Å; S1281-R1283 PolarHBondContact O-N 3.13Å |
| 1284 | K | 53.1 | Low | 68.8 | Low | 153 Ų | 153 | 67.9 Ų | 67.9 | 67% | 0.665 | 37% | 0.372 | S | S | * | . | trans | -131.9 | 111.1 | 175.6 | -74.2 | -172.1 | 175.1 | -174 | 0 | 107.8 | S1281 S1286 | S1281-K1284 PolarHBondContact OG-N 3.31Å; S1281-K1284 PolarHBondContact OG-O 3.27Å; K1284-S1286 PolarHBondContact O-N 2.98Å | ||
| 1285 | E | 58.3 | Low | 67.1 | Low | 110.6 Ų | 110.6 | 73.7 Ų | 73.7 | 52% | 0.517 | 40% | 0.403 | S | S | . | . | trans | -74.3 | 36.5 | 170.9 | -62.4 | -173.1 | 163.4 | 0 | 0 | 110.5 | Q1272 R1275 | Q1272-E1285 VanDerWaalsContact NE2-CD 3.3Å; Q1272-E1285 PolarHBondContact NE2-OE1 2.99Å; Q1272-E1285 PolarHBondContact NE2-OE2 3.34Å; Q1272-E1285 VanDerWaalsContact NE2-OE2 3.14Å; R1275-E1285 VanDerWaalsContact CZ-O 3.3Å; R1275-E1285 PolarHBondContact NH2-O 3.32Å | ||
| 1286 | S | 64.3 | Low | 65.5 | Low | 65.6 Ų | 65.6 | 72.6 Ų | 72.6 | 46% | 0.459 | 40% | 0.4 | S | S | . | . | trans | -114 | 126.6 | 177.2 | 60.9 | 0 | 0 | 0 | 0 | 109.7 | E1168 K1284 N1288 | E1168-S1286 VanDerWaalsContact OE1-CA 3.28Å; E1168-S1286 WeakPolarHBondContact OE1-CA 3.35Å; K1284-S1286 PolarHBondContact O-N 2.98Å; S1286-N1288 PolarHBondContact O-N 2.86Å | ||
| 1287 | I | 70.9 | Confident | 64 | Low | 9.2 Ų | 9.2 | 72.6 Ų | 72.6 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | trans | -72.8 | 126.5 | 178.8 | -61.4 | 171 | 0 | 0 | 0 | 108.7 | E1168 R1275 C1279 F1289 L1292 L1303 | E1168-I1287 PolarHBondContact OE1-N 3.09Å; R1275-I1287 HydrophobicContact CB-CD1 4.16Å; R1275-I1287 HydrophobicContact CG-CD1 4.07Å; C1279-I1287 VanDerWaalsContact SG-CG1 3.57Å; I1287-F1289 HydrophobicContact CB-CD2 4.31Å; I1287-F1289 HydrophobicContact CB-CE1 4.38Å; I1287-F1289 HydrophobicContact CB-CE2 3.84Å; I1287-F1289 HydrophobicContact CB-CZ 3.93Å; I1287-F1289 HydrophobicContact CD1-CZ 4.28Å; I1287-F1289 HydrophobicContact CG2-CD1 4.07Å; I1287-F1289 HydrophobicContact CG2-CD2 4.2Å; I1287-F1289 HydrophobicContact CG2-CE1 3.97Å; I1287-F1289 HydrophobicContact CG2-CE2 4.06Å; I1287-F1289 HydrophobicContact CG2-CG 4.19Å; I1287-F1289 HydrophobicContact CG2-CZ 3.96Å; I1287-F1289 VanDerWaalsContact O-CD2 3.26Å; I1287-F1289 WeakPolarHBondContact O-CD2 3.38Å; I1287-F1289 WeakPolarHBondContact O-CE2 3.48Å; I1287-F1289 PolarHBondContact O-N 3.12Å; I1287-F1289 VanDerWaalsContact O-N 3.15Å; I1287-L1292 HydrophobicContact CG2-CD1 3.67Å; I1287-L1303 HydrophobicContact CD1-CD1 3.45Å; I1287-L1303 VanDerWaalsContact CD1-CD1 3.44Å; I1287-L1303 HydrophobicContact CD1-CD2 4.19Å; I1287-L1303 HydrophobicContact CD1-CG 4.43Å | ||
| 1288 | N | 71.4 | Confident | 62.7 | Low | 107.4 Ų | 107.4 | 76.5 Ų | 76.5 | 57% | 0.574 | 42% | 0.422 | S | S | * | . | trans | -87.2 | 84.7 | 173 | -168.5 | 2.7 | 0 | 0 | 0 | 109.4 | S1286 A1290 A1291 | S1286-N1288 PolarHBondContact O-N 2.86Å; N1288-A1290 PolarHBondContact O-N 3Å; N1288-A1290 VanDerWaalsContact O-N 3.13Å; N1288-A1290 PolarHBondContact OD1-N 2.98Å; N1288-A1291 HydrophobicContact CB-CB 4.2Å; N1288-A1291 WeakPolarHBondContact ND2-CB 3.37Å; N1288-A1291 PolarHBondContact O-N 3.13Å | ||
| 1289 | F | 70.7 | Confident | 61.3 | Low | 34.2 Ų | 34.2 | 83.9 Ų | 83.9 | 15% | 0.15 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -55.8 | -30.4 | -177 | -66.8 | -84.3 | 0 | 0 | 0 | 113.3 | V1161 A1162 E1168 I1287 A1291 L1292 V1297 G1301 L1303 | V1161-F1289 HydrophobicContact CB-CZ 4.22Å; V1161-F1289 HydrophobicContact CG1-CZ 4.15Å; A1162-F1289 HydrophobicContact CB-CD1 4.48Å; A1162-F1289 HydrophobicContact CB-CD2 3.91Å; A1162-F1289 HydrophobicContact CB-CE1 4.29Å; A1162-F1289 HydrophobicContact CB-CE2 3.5Å; A1162-F1289 VanDerWaalsContact CB-CE2 3.49Å; A1162-F1289 HydrophobicContact CB-CG 4.4Å; A1162-F1289 HydrophobicContact CB-CZ 3.71Å; E1168-F1289 HydrophobicContact CG-CE2 3.84Å; E1168-F1289 HydrophobicContact CG-CZ 4.22Å; I1287-F1289 HydrophobicContact CB-CD2 4.31Å; I1287-F1289 HydrophobicContact CB-CE1 4.38Å; I1287-F1289 HydrophobicContact CB-CE2 3.84Å; I1287-F1289 HydrophobicContact CB-CZ 3.93Å; I1287-F1289 HydrophobicContact CD1-CZ 4.28Å; I1287-F1289 HydrophobicContact CG2-CD1 4.07Å; I1287-F1289 HydrophobicContact CG2-CD2 4.2Å; I1287-F1289 HydrophobicContact CG2-CE1 3.97Å; I1287-F1289 HydrophobicContact CG2-CE2 4.06Å; I1287-F1289 HydrophobicContact CG2-CG 4.19Å; I1287-F1289 HydrophobicContact CG2-CZ 3.96Å; I1287-F1289 VanDerWaalsContact O-CD2 3.26Å; I1287-F1289 WeakPolarHBondContact O-CD2 3.38Å; I1287-F1289 WeakPolarHBondContact O-CE2 3.48Å; I1287-F1289 PolarHBondContact O-N 3.12Å; I1287-F1289 VanDerWaalsContact O-N 3.15Å; F1289-A1291 VanDerWaalsContact C-N 3.32Å; F1289-A1291 PolarHBondContact O-N 3.04Å; F1289-L1292 HydrophobicContact CD1-CD1 4.4Å; F1289-L1292 PolarHBondContact O-N 3.13Å; F1289-V1297 HydrophobicContact CD1-CG1 4.08Å; F1289-V1297 HydrophobicContact CD1-CG2 4.42Å; F1289-V1297 HydrophobicContact CE1-CG1 4.47Å; F1289-G1301 WeakPolarHBondContact CE1-O 3.36Å; F1289-L1303 HydrophobicContact CE1-CD2 3.96Å; F1289-L1303 HydrophobicContact CE1-CG 4.5Å |
| 1290 | A | 64.2 | Low | 60.5 | Low | 99.2 Ų | 99.2 | 87.8 Ų | 87.8 | 82% | 0.82 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -74 | -14.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1288 | N1288-A1290 PolarHBondContact O-N 3Å; N1288-A1290 VanDerWaalsContact O-N 3.13Å; N1288-A1290 PolarHBondContact OD1-N 2.98Å |
| 1291 | A | 63 | Low | 60.8 | Low | 73 Ų | 73 | 85.2 Ų | 85.2 | 60% | 0.603 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -102.6 | -0.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1288 F1289 | N1288-A1291 HydrophobicContact CB-CB 4.2Å; N1288-A1291 WeakPolarHBondContact ND2-CB 3.37Å; N1288-A1291 PolarHBondContact O-N 3.13Å; F1289-A1291 VanDerWaalsContact C-N 3.32Å; F1289-A1291 PolarHBondContact O-N 3.04Å |
| 1292 | L | 66.2 | Low | 61.9 | Low | 23.2 Ų | 23.2 | 82.5 Ų | 82.5 | 12% | 0.121 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -81.6 | 144.2 | 178.3 | -73.3 | 171.3 | 0 | 0 | 0 | 110.3 | I1225 Y1278 I1287 F1289 E1294 S1296 V1297 | I1225-L1292 HydrophobicContact CD1-CD2 3.53Å; Y1278-L1292 HydrophobicContact CD1-CD1 4Å; Y1278-L1292 HydrophobicContact CD1-CD2 3.88Å; Y1278-L1292 HydrophobicContact CE1-CD1 4.48Å; Y1278-L1292 HydrophobicContact CG-CD1 4.42Å; I1287-L1292 HydrophobicContact CG2-CD1 3.67Å; F1289-L1292 HydrophobicContact CD1-CD1 4.4Å; F1289-L1292 PolarHBondContact O-N 3.13Å; L1292-E1294 PolarHBondContact O-N 2.79Å; L1292-S1296 WeakPolarHBondContact CB-OG 3.36Å; L1292-V1297 HydrophobicContact CB-CG2 3.8Å; L1292-V1297 HydrophobicContact CD1-CG2 3.42Å; L1292-V1297 VanDerWaalsContact CD1-CG2 3.46Å; L1292-V1297 HydrophobicContact CG-CG2 4.19Å |
| 1293 | P | 60.3 | Low | 63.3 | Low | 71 Ų | 71 | 78.7 Ų | 78.7 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | trans | -53.8 | 140.1 | 178 | -23.7 | 30.2 | 0 | 0 | 0 | 112.3 | N1295 S1296 | P1293-N1295 PolarHBondContact O-N 3.25Å; P1293-N1295 VanDerWaalsContact O-N 3.09Å; P1293-S1296 VanDerWaalsContact CD-OG 3.28Å; P1293-S1296 WeakPolarHBondContact CD-OG 3.35Å; P1293-S1296 WeakPolarHBondContact O-CB 3.38Å; P1293-S1296 PolarHBondContact O-N 3.13Å; P1293-S1296 PolarHBondContact O-OG 3.28Å | ||
| 1294 | E | 54.7 | Low | 65 | Low | 187.4 Ų | 187.4 | 69.1 Ų | 69.1 | 88% | 0.876 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -20.8 | 179.2 | -67.7 | 177.9 | 169.5 | 0 | 0 | 112.4 | L1292 S1296 | L1292-E1294 PolarHBondContact O-N 2.79Å; E1294-S1296 VanDerWaalsContact C-N 3.33Å; E1294-S1296 PolarHBondContact O-N 3.1Å |
| 1295 | N | 54.7 | Low | 66.8 | Low | 122.8 Ų | 122.8 | 61.9 Ų | 61.9 | 66% | 0.657 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2 | -179.6 | -59.4 | -12.5 | 0 | 0 | 0 | 115.2 | P1219 P1293 | P1219-N1295 HydrophobicContact CB-CB 4.26Å; P1219-N1295 HydrophobicContact CG-CB 4.38Å; P1293-N1295 PolarHBondContact O-N 3.25Å; P1293-N1295 VanDerWaalsContact O-N 3.09Å |
| 1296 | S | 53.5 | Low | 68.4 | Low | 8.6 Ų | 8.6 | 56.6 Ų | 56.6 | 6% | 0.06 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -21.2 | -174.6 | 62.6 | 0 | 0 | 0 | 0 | 115 | G1221 L1292 P1293 E1294 | G1221-S1296 VanDerWaalsContact CA-CB 3.42Å; L1292-S1296 WeakPolarHBondContact CB-OG 3.36Å; P1293-S1296 VanDerWaalsContact CD-OG 3.28Å; P1293-S1296 WeakPolarHBondContact CD-OG 3.35Å; P1293-S1296 WeakPolarHBondContact O-CB 3.38Å; P1293-S1296 PolarHBondContact O-N 3.13Å; P1293-S1296 PolarHBondContact O-OG 3.28Å; E1294-S1296 VanDerWaalsContact C-N 3.33Å; E1294-S1296 PolarHBondContact O-N 3.1Å |
| 1297 | V | 55.7 | Low | 69.7 | Low | 21.4 Ų | 21.4 | 53.5 Ų | 53.5 | 13% | 0.13 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -136.1 | 118.4 | -178.7 | -175.5 | 0 | 0 | 0 | 0 | 106.2 | F1289 L1292 G1301 V1302 L1303 | F1289-V1297 HydrophobicContact CD1-CG1 4.08Å; F1289-V1297 HydrophobicContact CD1-CG2 4.42Å; F1289-V1297 HydrophobicContact CE1-CG1 4.47Å; L1292-V1297 HydrophobicContact CB-CG2 3.8Å; L1292-V1297 HydrophobicContact CD1-CG2 3.42Å; L1292-V1297 VanDerWaalsContact CD1-CG2 3.46Å; L1292-V1297 HydrophobicContact CG-CG2 4.19Å; V1297-G1301 VanDerWaalsContact CG1-CA 3.46Å; V1297-V1302 VanDerWaalsContact CG1-O 3.23Å; V1297-V1302 WeakPolarHBondContact CG1-O 3.44Å; V1297-L1303 HydrophobicContact CG2-CD2 4.3Å |
| 1298 | N | 57.2 | Low | 70.6 | Confident | 82.4 Ų | 82.4 | 53 Ų | 53 | 44% | 0.441 | 30% | 0.302 | S | S | . | . | trans | -60.1 | 152.3 | 167.7 | -68.7 | -11.6 | 0 | 0 | 0 | 108.2 | Y1300 G1301 V1302 | N1298-Y1300 CarbonylContact O-C 3.57Å; N1298-Y1300 PolarHBondContact O-N 3.16Å; N1298-G1301 PolarHBondContact O-N 3.02Å; N1298-G1301 VanDerWaalsContact O-N 3.08Å; N1298-V1302 HydrophobicContact CB-CB 4.5Å | ||
| 1299 | N | 56.1 | Low | 71.5 | Confident | 161.4 Ų | 161.4 | 48 Ų | 48 | 86% | 0.863 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -10.1 | -174.5 | -73.5 | -12 | 0 | 0 | 0 | 116.7 | ||
| 1300 | Y | 61.9 | Low | 72.3 | Confident | 89.2 Ų | 89.2 | 46.5 Ų | 46.5 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 16.7 | -177.7 | -54.3 | -74.7 | 0 | 0 | 0 | 114.6 | I1160 N1298 V1302 P1344 | I1160-Y1300 HydrophobicContact CD1-CG 4.39Å; I1160-Y1300 WeakPolarHBondContact CG1-O 3.49Å; I1160-Y1300 VanDerWaalsContact CG2-O 3.25Å; I1160-Y1300 WeakPolarHBondContact CG2-O 3.37Å; N1298-Y1300 CarbonylContact O-C 3.57Å; N1298-Y1300 PolarHBondContact O-N 3.16Å; Y1300-V1302 VanDerWaalsContact C-N 3.32Å; Y1300-V1302 PolarHBondContact O-N 3.03Å; Y1300-P1344 HydrophobicContact CE1-CG 4.2Å; Y1300-P1344 HydrophobicContact CE2-CB 4.12Å; Y1300-P1344 HydrophobicContact CE2-CG 3.65Å; Y1300-P1344 VanDerWaalsContact CZ-CG 3.47Å; Y1300-P1344 WeakPolarHBondContact OH-CG 3.44Å |
| 1301 | G | 74.2 | Confident | 73.2 | Confident | 7.2 Ų | 7.2 | 42.7 Ų | 42.7 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 26.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1161 F1289 V1297 N1298 | V1161-G1301 WeakPolarHBondContact CB-O 3.46Å; V1161-G1301 PolarHBondContact N-O 3.08Å; F1289-G1301 WeakPolarHBondContact CE1-O 3.36Å; V1297-G1301 VanDerWaalsContact CG1-CA 3.46Å; N1298-G1301 PolarHBondContact O-N 3.02Å; N1298-G1301 VanDerWaalsContact O-N 3.08Å |
| 1302 | V | 82.6 | Confident | 74.3 | Confident | 19.4 Ų | 19.4 | 39.3 Ų | 39.3 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -77.7 | 132.9 | 173.6 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | T1158 I1160 V1297 N1298 Y1300 | T1158-V1302 VanDerWaalsContact O-CG1 3.29Å; T1158-V1302 WeakPolarHBondContact O-CG1 3.35Å; I1160-V1302 HydrophobicContact CB-CG2 4.45Å; I1160-V1302 HydrophobicContact CG1-CG2 3.58Å; V1297-V1302 VanDerWaalsContact CG1-O 3.23Å; V1297-V1302 WeakPolarHBondContact CG1-O 3.44Å; N1298-V1302 HydrophobicContact CB-CB 4.5Å; Y1300-V1302 VanDerWaalsContact C-N 3.32Å; Y1300-V1302 PolarHBondContact O-N 3.03Å |
| 1303 | L | 85.8 | Confident | 75 | Confident | 1.2 Ų | 1.2 | 38.3 Ų | 38.3 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -102.1 | 149.7 | 176.8 | -56.7 | 176.4 | 0 | 0 | 0 | 110.2 | S1157 T1158 V1161 F1271 V1274 Y1278 I1287 F1289 V1297 | S1157-L1303 CarbonylContact C-O 3.51Å; S1157-L1303 WeakPolarHBondContact CA-O 3.44Å; T1158-L1303 HydrophobicContact CG2-CB 4.11Å; T1158-L1303 WeakPolarHBondContact CG2-O 3.35Å; T1158-L1303 PolarHBondContact N-O 2.96Å; T1158-L1303 PolarHBondContact OG1-N 3.13Å; T1158-L1303 VanDerWaalsContact OG1-N 3.15Å; T1158-L1303 PolarHBondContact OG1-O 2.99Å; V1161-L1303 HydrophobicContact CG2-CD1 3.91Å; V1161-L1303 HydrophobicContact CG2-CG 3.92Å; F1271-L1303 HydrophobicContact CE2-CD1 4.49Å; V1274-L1303 HydrophobicContact CG1-CD1 4.41Å; Y1278-L1303 HydrophobicContact CD1-CD2 4.1Å; Y1278-L1303 HydrophobicContact CD2-CB 4.42Å; Y1278-L1303 HydrophobicContact CD2-CD1 4.24Å; Y1278-L1303 HydrophobicContact CD2-CD2 4.02Å; Y1278-L1303 HydrophobicContact CD2-CG 4.44Å; Y1278-L1303 HydrophobicContact CE1-CD2 4.15Å; Y1278-L1303 HydrophobicContact CE2-CB 3.91Å; Y1278-L1303 HydrophobicContact CE2-CD1 4.47Å; Y1278-L1303 HydrophobicContact CE2-CD2 4.09Å; Y1278-L1303 HydrophobicContact CE2-CG 4.38Å; Y1278-L1303 HydrophobicContact CG-CD2 4.02Å; I1287-L1303 HydrophobicContact CD1-CD1 3.45Å; I1287-L1303 VanDerWaalsContact CD1-CD1 3.44Å; I1287-L1303 HydrophobicContact CD1-CD2 4.19Å; I1287-L1303 HydrophobicContact CD1-CG 4.43Å; F1289-L1303 HydrophobicContact CE1-CD2 3.96Å; F1289-L1303 HydrophobicContact CE1-CG 4.5Å; V1297-L1303 HydrophobicContact CG2-CD2 4.3Å |
| 1304 | S | 86.7 | Confident | 76.1 | Confident | 4.4 Ų | 4.4 | 37.8 Ų | 37.8 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 147.2 | 166.1 | 72.3 | 0 | 0 | 0 | 0 | 112.4 | F1156 Y1278 | F1156-S1304 CarbonylContact O-C 3.52Å; F1156-S1304 VanDerWaalsContact O-CA 3.24Å; F1156-S1304 WeakPolarHBondContact O-CA 3.29Å; F1156-S1304 WeakPolarHBondContact O-CB 3.37Å; Y1278-S1304 VanDerWaalsContact CE2-O 3.31Å; Y1278-S1304 WeakPolarHBondContact CE2-O 3.4Å; Y1278-S1304 WeakPolarHBondContact OH-CA 3.34Å; Y1278-S1304 PolarHBondContact OH-N 3.24Å; Y1278-S1304 PolarHBondContact OH-O 3.09Å; Y1278-S1304 PolarHBondContact OH-OG 3.03Å |
| 1305 | F | 90.2 | Very high | 77.2 | Confident | 0.2 Ų | 0.2 | 30.7 Ų | 30.7 | 0% | 0.001 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.7 | 173.9 | 68.8 | -85.9 | 0 | 0 | 0 | 111.2 | F1156 T1158 F1178 F1181 P1268 V1274 L1307 Y1400 | F1156-F1305 HydrophobicContact CB-CD1 4.18Å; F1156-F1305 HydrophobicContact CB-CD2 4.4Å; F1156-F1305 HydrophobicContact CB-CE1 3.59Å; F1156-F1305 HydrophobicContact CB-CE2 3.84Å; F1156-F1305 HydrophobicContact CB-CG 4.49Å; F1156-F1305 HydrophobicContact CB-CZ 3.4Å; F1156-F1305 VanDerWaalsContact CB-CZ 3.42Å; F1156-F1305 HydrophobicContact CD2-CE2 4.39Å; F1156-F1305 HydrophobicContact CG-CE2 4.41Å; F1156-F1305 HydrophobicContact CG-CZ 4.19Å; F1156-F1305 PolarHBondContact N-O 3.22Å; F1156-F1305 PolarHBondContact O-N 3.22Å; T1158-F1305 HydrophobicContact CG2-CD1 3.75Å; T1158-F1305 HydrophobicContact CG2-CE1 4.17Å; F1178-F1305 HydrophobicContact CE1-CD2 4.43Å; F1178-F1305 HydrophobicContact CE1-CE2 4.34Å; F1178-F1305 HydrophobicContact CE2-CD1 4.24Å; F1178-F1305 AromaticContact CE2-CD2 3.99Å; F1178-F1305 HydrophobicContact CE2-CD2 4.03Å; F1178-F1305 AromaticContact CE2-CE1 3.93Å; F1178-F1305 HydrophobicContact CE2-CE1 4.05Å; F1178-F1305 AromaticContact CE2-CE2 3.85Å; F1178-F1305 HydrophobicContact CE2-CE2 3.85Å; F1178-F1305 HydrophobicContact CE2-CG 4.24Å; F1178-F1305 AromaticContact CE2-CZ 3.88Å; F1178-F1305 HydrophobicContact CE2-CZ 3.95Å; F1178-F1305 AromaticContact CZ-CD1 3.82Å; F1178-F1305 HydrophobicContact CZ-CD1 3.82Å; F1178-F1305 AromaticContact CZ-CD2 3.85Å; F1178-F1305 HydrophobicContact CZ-CD2 3.85Å; F1178-F1305 AromaticContact CZ-CE1 3.78Å; F1178-F1305 HydrophobicContact CZ-CE1 3.78Å; F1178-F1305 AromaticContact CZ-CE2 3.83Å; F1178-F1305 HydrophobicContact CZ-CE2 3.83Å; F1178-F1305 AromaticContact CZ-CG 3.82Å; F1178-F1305 HydrophobicContact CZ-CG 4.17Å; F1178-F1305 AromaticContact CZ-CZ 3.73Å; F1178-F1305 HydrophobicContact CZ-CZ 4.11Å; F1181-F1305 HydrophobicContact CE1-CE2 4.43Å; P1268-F1305 HydrophobicContact CG-CB 4.47Å; P1268-F1305 HydrophobicContact CG-CD2 4.47Å; V1274-F1305 HydrophobicContact CB-CB 4.49Å; V1274-F1305 HydrophobicContact CG1-CB 3.89Å; V1274-F1305 HydrophobicContact CG2-CB 3.92Å; V1274-F1305 HydrophobicContact CG2-CG 4.35Å; F1305-L1307 HydrophobicContact CD2-CD1 4.44Å; F1305-L1307 HydrophobicContact CD2-CD2 4.29Å; F1305-L1307 HydrophobicContact CE2-CD1 3.96Å; F1305-L1307 HydrophobicContact CE2-CD2 4.15Å; F1305-L1307 HydrophobicContact CE2-CG 4.21Å; F1305-Y1400 HydrophobicContact CE1-CE2 4.2Å; F1305-Y1400 AromaticContact CE1-CZ 3.87Å; F1305-Y1400 WeakPolarHBondContact CE1-OH 3.32Å; F1305-Y1400 HydrophobicContact CZ-CD2 4.34Å; F1305-Y1400 HydrophobicContact CZ-CE1 4.44Å; F1305-Y1400 AromaticContact CZ-CE2 3.7Å; F1305-Y1400 HydrophobicContact CZ-CE2 3.7Å; F1305-Y1400 AromaticContact CZ-CZ 3.82Å |
| 1306 | P | 91.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 146.2 | 178.2 | 34.5 | -34.2 | 0 | 0 | 0 | 112.4 | T1153 M1154 L1155 W1222 P1268 F1308 | T1153-P1306 HydrophobicContact CG2-CB 4.03Å; M1154-P1306 CarbonylContact O-C 3.55Å; M1154-P1306 WeakPolarHBondContact O-CA 3.16Å; L1155-P1306 HydrophobicContact CD2-CB 4.31Å; W1222-P1306 HydrophobicContact CH2-CB 4.26Å; W1222-P1306 HydrophobicContact CH2-CG 3.86Å; W1222-P1306 HydrophobicContact CZ2-CB 3.77Å; W1222-P1306 HydrophobicContact CZ2-CG 3.5Å; W1222-P1306 VanDerWaalsContact CZ2-CG 3.48Å; P1268-P1306 VanDerWaalsContact CD-O 3.28Å; P1268-P1306 WeakPolarHBondContact CD-O 3.4Å; P1306-F1308 HydrophobicContact CB-CD1 4.49Å; P1306-F1308 HydrophobicContact CB-CD2 4.5Å; P1306-F1308 HydrophobicContact CB-CE1 3.77Å; P1306-F1308 HydrophobicContact CB-CE2 3.9Å; P1306-F1308 HydrophobicContact CB-CZ 3.43Å; P1306-F1308 VanDerWaalsContact CB-CZ 3.43Å; P1306-F1308 HydrophobicContact CG-CE1 4.28Å; P1306-F1308 HydrophobicContact CG-CE2 3.69Å; P1306-F1308 HydrophobicContact CG-CZ 3.44Å; P1306-F1308 VanDerWaalsContact CG-CZ 3.44Å |
| 1307 | L | 92.1 | Very high | 79.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.5 | 157.1 | -80.2 | 161.5 | 0 | 0 | 0 | 108.4 | T1153 M1154 F1156 F1181 L1265 L1266 S1267 F1305 I1396 | T1153-L1307 WeakPolarHBondContact CA-O 3.34Å; M1154-L1307 HydrophobicContact CB-CB 4.31Å; M1154-L1307 PolarHBondContact N-O 3.17Å; M1154-L1307 PolarHBondContact O-N 2.87Å; F1156-L1307 HydrophobicContact CD2-CB 4.33Å; F1156-L1307 HydrophobicContact CD2-CD1 3.83Å; F1156-L1307 VanDerWaalsContact CD2-CD1 3.45Å; F1156-L1307 HydrophobicContact CD2-CG 4.04Å; F1156-L1307 HydrophobicContact CE2-CB 4.24Å; F1156-L1307 HydrophobicContact CE2-CD1 3.44Å; F1156-L1307 VanDerWaalsContact CE2-CD1 3.46Å; F1156-L1307 HydrophobicContact CE2-CD2 4.16Å; F1156-L1307 HydrophobicContact CE2-CG 4.25Å; F1156-L1307 HydrophobicContact CG-CD1 4.26Å; F1156-L1307 HydrophobicContact CZ-CD1 4.21Å; F1181-L1307 HydrophobicContact CE1-CD1 3.78Å; F1181-L1307 HydrophobicContact CE1-CD2 4.21Å; F1181-L1307 HydrophobicContact CZ-CD1 3.74Å; F1181-L1307 HydrophobicContact CZ-CD2 4.3Å; L1265-L1307 HydrophobicContact CD1-CB 4.08Å; L1265-L1307 HydrophobicContact CD1-CD1 4.45Å; L1265-L1307 HydrophobicContact CD1-CD2 3.74Å; L1265-L1307 HydrophobicContact CD1-CG 4.32Å; L1265-L1307 HydrophobicContact CD2-CD2 4.01Å; L1265-L1307 HydrophobicContact CG-CD2 3.87Å; L1265-L1307 HydrophobicContact CG-CG 4.34Å; L1266-L1307 WeakPolarHBondContact O-CA 3.49Å; S1267-L1307 VanDerWaalsContact CB-CD2 3.44Å; S1267-L1307 WeakPolarHBondContact OG-CD2 3.4Å; F1305-L1307 HydrophobicContact CD2-CD1 4.44Å; F1305-L1307 HydrophobicContact CD2-CD2 4.29Å; F1305-L1307 HydrophobicContact CE2-CD1 3.96Å; F1305-L1307 HydrophobicContact CE2-CD2 4.15Å; F1305-L1307 HydrophobicContact CE2-CG 4.21Å; L1307-I1396 HydrophobicContact CD1-CG2 4.02Å; L1307-I1396 HydrophobicContact CD2-CG2 3.67Å |
| 1308 | F | 90.8 | Very high | 81 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 111.5 | -178.9 | -53.2 | -73.2 | 0 | 0 | 0 | 109.7 | L1151 I1152 T1153 W1205 I1208 W1222 L1265 L1266 P1306 I1310 | L1151-F1308 HydrophobicContact CD1-CB 3.79Å; L1151-F1308 HydrophobicContact CD1-CD1 4.15Å; L1151-F1308 HydrophobicContact CD1-CG 4.38Å; I1152-F1308 CarbonylContact O-C 3.53Å; I1152-F1308 WeakPolarHBondContact O-CA 3.32Å; T1153-F1308 HydrophobicContact CG2-CD1 3.92Å; T1153-F1308 HydrophobicContact CG2-CE1 3.68Å; T1153-F1308 WeakPolarHBondContact OG1-CD1 3.45Å; W1205-F1308 AromaticContact CH2-CE2 3.97Å; W1205-F1308 HydrophobicContact CH2-CE2 4.07Å; W1205-F1308 HydrophobicContact CH2-CZ 4.39Å; W1205-F1308 AromaticContact CZ3-CE2 3.94Å; W1205-F1308 HydrophobicContact CZ3-CE2 4.02Å; W1205-F1308 AromaticContact CZ3-CZ 3.95Å; W1205-F1308 HydrophobicContact CZ3-CZ 4.03Å; I1208-F1308 HydrophobicContact CD1-CD2 4.15Å; I1208-F1308 HydrophobicContact CD1-CE2 4.25Å; I1208-F1308 HydrophobicContact CD1-CG 4.43Å; I1208-F1308 HydrophobicContact CD1-CZ 4.48Å; I1208-F1308 HydrophobicContact CG2-CD1 3.88Å; I1208-F1308 HydrophobicContact CG2-CD2 4.42Å; I1208-F1308 HydrophobicContact CG2-CE1 3.31Å; I1208-F1308 VanDerWaalsContact CG2-CE1 3.46Å; I1208-F1308 HydrophobicContact CG2-CE2 4Å; I1208-F1308 HydrophobicContact CG2-CG 4.34Å; I1208-F1308 HydrophobicContact CG2-CZ 3.38Å; I1208-F1308 VanDerWaalsContact CG2-CZ 3.41Å; W1222-F1308 HydrophobicContact CH2-CZ 4.4Å; L1265-F1308 CarbonylContact C-O 3.47Å; L1265-F1308 WeakPolarHBondContact CA-O 3.28Å; L1266-F1308 HydrophobicContact CB-CB 4.08Å; L1266-F1308 HydrophobicContact CB-CD2 4.09Å; L1266-F1308 HydrophobicContact CD1-CB 4.43Å; L1266-F1308 PolarHBondContact N-O 2.98Å; L1266-F1308 PolarHBondContact O-N 3.16Å; P1306-F1308 HydrophobicContact CB-CD1 4.49Å; P1306-F1308 HydrophobicContact CB-CD2 4.5Å; P1306-F1308 HydrophobicContact CB-CE1 3.77Å; P1306-F1308 HydrophobicContact CB-CE2 3.9Å; P1306-F1308 HydrophobicContact CB-CZ 3.43Å; P1306-F1308 VanDerWaalsContact CB-CZ 3.43Å; P1306-F1308 HydrophobicContact CG-CE1 4.28Å; P1306-F1308 HydrophobicContact CG-CE2 3.69Å; P1306-F1308 HydrophobicContact CG-CZ 3.44Å; P1306-F1308 VanDerWaalsContact CG-CZ 3.44Å; F1308-I1310 HydrophobicContact CB-CD1 4.33Å |
| 1309 | V | 88.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.5 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | I1152 M1154 M1263 L1264 L1265 L1349 F1389 Y1392 I1396 | I1152-V1309 HydrophobicContact CB-CB 4.34Å; I1152-V1309 PolarHBondContact N-O 3.11Å; I1152-V1309 PolarHBondContact O-N 2.97Å; M1154-V1309 HydrophobicContact CG-CG2 4.28Å; M1154-V1309 HydrophobicContact SD-CG2 3.75Å; M1263-V1309 HydrophobicContact CE-CG1 3.38Å; M1263-V1309 HydrophobicContact CG-CG1 4.12Å; M1263-V1309 HydrophobicContact SD-CG1 4.16Å; M1263-V1309 WeakPolarHBondContact SD-CG1 3.4Å; L1264-V1309 CarbonylContact O-C 3.6Å; L1264-V1309 WeakPolarHBondContact O-CA 3.38Å; L1265-V1309 HydrophobicContact CD1-CB 4.41Å; L1265-V1309 HydrophobicContact CD1-CG2 3.64Å; L1265-V1309 VanDerWaalsContact CD1-CG2 3.5Å; V1309-L1349 HydrophobicContact CG1-CD2 4.19Å; V1309-F1389 HydrophobicContact CB-CZ 4.06Å; V1309-F1389 HydrophobicContact CG1-CE1 4.42Å; V1309-F1389 HydrophobicContact CG1-CE2 3.85Å; V1309-F1389 HydrophobicContact CG1-CZ 3.51Å; V1309-F1389 VanDerWaalsContact CG1-CZ 3.46Å; V1309-Y1392 HydrophobicContact CG1-CD1 4.25Å; V1309-Y1392 HydrophobicContact CG1-CE1 3.93Å; V1309-Y1392 HydrophobicContact CG2-CE1 4.09Å; V1309-I1396 HydrophobicContact CG2-CD1 4.03Å |
| 1310 | I | 87.4 | Confident | 83 | Confident | 3.2 Ų | 3.2 | 20.2 Ų | 20.2 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.4 | -177.7 | -57 | 141.2 | 0 | 0 | 0 | 108.6 | L1146 C1149 R1150 L1151 M1263 L1264 L1266 F1308 C1312 | L1146-I1310 HydrophobicContact CD1-CD1 4.27Å; L1146-I1310 HydrophobicContact CD2-CB 4.23Å; L1146-I1310 HydrophobicContact CD2-CD1 3.5Å; L1146-I1310 VanDerWaalsContact CD2-CD1 3.42Å; L1146-I1310 HydrophobicContact CD2-CG1 3.6Å; L1146-I1310 VanDerWaalsContact CD2-CG1 3.48Å; L1146-I1310 HydrophobicContact CD2-CG2 3.68Å; L1146-I1310 HydrophobicContact CG-CD1 4.11Å; C1149-I1310 HydrophobicContact CB-CG2 3.58Å; R1150-I1310 WeakPolarHBondContact O-CA 3.33Å; R1150-I1310 WeakPolarHBondContact O-CG2 3.38Å; L1151-I1310 HydrophobicContact CD1-CD1 4.24Å; L1151-I1310 HydrophobicContact CD1-CG1 3.79Å; M1263-I1310 WeakPolarHBondContact CA-O 3.35Å; M1263-I1310 VanDerWaalsContact SD-C 3.54Å; L1264-I1310 HydrophobicContact CB-CB 4.19Å; L1264-I1310 HydrophobicContact CB-CD1 4.31Å; L1264-I1310 PolarHBondContact N-O 3.04Å; L1264-I1310 PolarHBondContact O-N 3.18Å; L1266-I1310 HydrophobicContact CD1-CD1 3.61Å; L1266-I1310 HydrophobicContact CG-CD1 4.03Å; F1308-I1310 HydrophobicContact CB-CD1 4.33Å; I1310-C1312 PolarHBondContact O-N 3.2Å |
| 1311 | D | 84.4 | Confident | 83.9 | Confident | 19.4 Ų | 19.4 | 16.4 Ų | 16.4 | 10% | 0.104 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 113.8 | 170.1 | -178.6 | 22.5 | 0 | 0 | 0 | 110.2 | C1149 R1150 H1261 M1263 C1313 L1352 I1356 F1389 | C1149-D1311 WeakPolarHBondContact CB-O 3.43Å; R1150-D1311 HydrophobicContact CB-CB 4.45Å; R1150-D1311 PolarHBondContact O-N 3.15Å; R1150-D1311 VanDerWaalsContact O-N 3.15Å; H1261-D1311 IonicContact CE1-OD1 3.38Å; H1261-D1311 IonicContact CE1-OD2 3.28Å; H1261-D1311 PolarHBondContact CE1-OD2 3.13Å; H1261-D1311 IonicContact CG-OD1 2.83Å; H1261-D1311 IonicContact ND1-OD1 3.39Å; H1261-D1311 PolarHBondContact ND1-OD1 3.18Å; H1261-D1311 IonicContact ND1-OD2 3.39Å; H1261-D1311 PolarHBondContact ND1-OD2 3.07Å; H1261-D1311 VanDerWaalsContact ND1-OD2 3.11Å; M1263-D1311 HydrophobicContact CE-CB 4.01Å; M1263-D1311 WeakPolarHBondContact CE-OD1 3.3Å; M1263-D1311 HydrophobicContact SD-CB 3.87Å; D1311-C1313 PolarHBondContact O-N 3.38Å; D1311-C1313 PolarHBondContact OD1-N 3.42Å; D1311-L1352 HydrophobicContact CB-CD1 4.48Å; D1311-I1356 HydrophobicContact CB-CD1 4.47Å; D1311-F1389 HydrophobicContact CB-CE1 3.84Å; D1311-F1389 HydrophobicContact CB-CE2 4.47Å; D1311-F1389 HydrophobicContact CB-CZ 3.66Å; D1311-F1389 WeakPolarHBondContact OD2-CZ 3.42Å |
| 1312 | C | 85 | Confident | 84.1 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 82.2 | 174.5 | -77.5 | 0 | 0 | 0 | 0 | 109.6 | C1149 R1262 L1264 I1310 | C1149-C1312 VanDerWaalsContact SG-SG 3.61Å; R1262-C1312 HydrophobicContact CB-CB 4.38Å; R1262-C1312 PolarHBondContact N-O 3.1Å; R1262-C1312 VanDerWaalsContact N-O 3.13Å; R1262-C1312 WeakPolarHBondContact O-CA 3.37Å; R1262-C1312 VanDerWaalsContact O-CB 3.29Å; R1262-C1312 WeakPolarHBondContact O-CB 3.37Å; R1262-C1312 PolarHBondContact O-N 3.03Å; L1264-C1312 VanDerWaalsContact CD1-SG 3.53Å; L1264-C1312 WeakPolarHBondContact CD1-SG 3.49Å; I1310-C1312 PolarHBondContact O-N 3.2Å |
| 1313 | C | 82.7 | Confident | 83.7 | Confident | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.02 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121.8 | 167.4 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | H1261 D1311 E1315 T1316 V1317 | H1261-C1313 VanDerWaalsContact CE1-CB 3.48Å; H1261-C1313 WeakPolarHBondContact CE1-CB 3.42Å; H1261-C1313 PolarHBondContact NE2-SG 3.14Å; D1311-C1313 PolarHBondContact O-N 3.38Å; D1311-C1313 PolarHBondContact OD1-N 3.42Å; C1313-E1315 VanDerWaalsContact C-N 3.32Å; C1313-E1315 PolarHBondContact O-N 3.42Å; C1313-T1316 WeakPolarHBondContact CB-OG1 3.43Å; C1313-T1316 PolarHBondContact O-N 3.2Å; C1313-T1316 PolarHBondContact SG-OG1 3.07Å; C1313-T1316 VanDerWaalsContact SG-OG1 3.38Å; C1313-V1317 WeakPolarHBondContact O-CB 3.32Å; C1313-V1317 VanDerWaalsContact O-CG2 3.27Å; C1313-V1317 WeakPolarHBondContact O-CG2 3.38Å; C1313-V1317 PolarHBondContact O-N 3.21Å; C1313-V1317 VanDerWaalsContact O-N 3.07Å |
| 1314 | R | 82.1 | Confident | 82.8 | Confident | 59.6 Ų | 59.6 | 21.8 Ų | 21.8 | 23% | 0.225 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | -177.8 | 179.7 | 179.6 | 139.7 | -137.7 | 4 | 112 | Y626 V1079 E1080 H1260 V1317 L1318 | Y626-R1314 PolarHBondContact OH-NH2 3.25Å; V1079-R1314 HydrophobicContact CG1-CB 4.09Å; V1079-R1314 HydrophobicContact CG1-CG 4.21Å; E1080-R1314 WeakPolarHBondContact OE1-CD 3.46Å; E1080-R1314 IonicContact OE1-CZ 3.39Å; E1080-R1314 IonicContact OE1-NE 3.3Å; E1080-R1314 PolarHBondContact OE1-NE 3.31Å; E1080-R1314 IonicContact OE1-NH1 3.17Å; E1080-R1314 PolarHBondContact OE1-NH1 3.43Å; E1080-R1314 IonicContact OE1-NH2 2.74Å; E1080-R1314 PolarHBondContact OE1-NH2 3.3Å; H1260-R1314 PolarHBondContact O-N 3.07Å; R1314-V1317 PolarHBondContact O-N 3.2Å; R1314-L1318 VanDerWaalsContact O-CB 3.26Å; R1314-L1318 WeakPolarHBondContact O-CB 3.31Å; R1314-L1318 PolarHBondContact O-N 2.96Å |
| 1315 | E | 78.9 | Confident | 81.5 | Confident | 39.2 Ų | 39.2 | 24.7 Ų | 24.7 | 18% | 0.183 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.8 | -43 | -176.7 | -70.9 | 64 | -146 | 0 | 0 | 111.1 | H1260 C1313 L1318 F1319 C1380 C1381 | H1260-E1315 VanDerWaalsContact CB-OE2 3.24Å; H1260-E1315 WeakPolarHBondContact CB-OE2 3.46Å; H1260-E1315 IonicContact CE1-OE1 3.43Å; H1260-E1315 PolarHBondContact CE1-OE1 3.12Å; H1260-E1315 VanDerWaalsContact CE1-OE1 3.3Å; H1260-E1315 IonicContact CE1-OE2 2.92Å; H1260-E1315 IonicContact CG-OE1 3.24Å; H1260-E1315 IonicContact CG-OE2 2.98Å; H1260-E1315 IonicContact ND1-OE1 3.39Å; H1260-E1315 PolarHBondContact ND1-OE1 3.3Å; H1260-E1315 IonicContact ND1-OE2 3.07Å; H1260-E1315 PolarHBondContact ND1-OE2 3.01Å; H1260-E1315 VanDerWaalsContact ND1-OE2 3.1Å; C1313-E1315 VanDerWaalsContact C-N 3.32Å; C1313-E1315 PolarHBondContact O-N 3.42Å; E1315-L1318 PolarHBondContact O-N 2.9Å; E1315-F1319 VanDerWaalsContact O-CB 3.29Å; E1315-F1319 WeakPolarHBondContact O-CB 3.35Å; E1315-F1319 PolarHBondContact O-N 2.98Å; E1315-C1380 HydrophobicContact CB-CB 4.21Å; E1315-C1381 HydrophobicContact CB-CB 4.08Å; E1315-C1381 HydrophobicContact CG-CB 4.35Å |
| 1316 | T | 77.4 | Confident | 79.7 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 15% | 0.153 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 175.1 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | C1313 L1318 F1319 N1320 F1359 E1378 C1380 | C1313-T1316 WeakPolarHBondContact CB-OG1 3.43Å; C1313-T1316 PolarHBondContact O-N 3.2Å; C1313-T1316 PolarHBondContact SG-OG1 3.07Å; C1313-T1316 VanDerWaalsContact SG-OG1 3.38Å; T1316-L1318 VanDerWaalsContact C-N 3.34Å; T1316-L1318 PolarHBondContact O-N 3.01Å; T1316-F1319 PolarHBondContact O-N 3.4Å; T1316-N1320 WeakPolarHBondContact O-CB 3.32Å; T1316-N1320 VanDerWaalsContact O-CG 3.23Å; T1316-N1320 PolarHBondContact O-N 3.14Å; T1316-N1320 PolarHBondContact O-ND2 3.09Å; T1316-F1359 HydrophobicContact CG2-CE1 3.94Å; T1316-F1359 HydrophobicContact CG2-CZ 4.01Å; T1316-F1359 WeakPolarHBondContact OG1-CE1 3.35Å; T1316-E1378 WeakPolarHBondContact CB-OE2 3.39Å; T1316-E1378 WeakPolarHBondContact CG2-OE2 3.38Å; T1316-E1378 PolarHBondContact OG1-OE2 3.06Å; T1316-C1380 HydrophobicContact CG2-CB 4.32Å; T1316-C1380 VanDerWaalsContact OG1-CB 3.24Å; T1316-C1380 WeakPolarHBondContact OG1-CB 3.29Å; T1316-C1380 PolarHBondContact OG1-SG 3.21Å; T1316-C1380 VanDerWaalsContact OG1-SG 3.39Å |
| 1317 | V | 82 | Confident | 77.8 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | L1076 V1079 L1145 C1149 C1313 R1314 F1319 N1320 L1321 | L1076-V1317 HydrophobicContact CD2-CG1 4.37Å; V1079-V1317 HydrophobicContact CG2-CG1 4.2Å; L1145-V1317 HydrophobicContact CD1-CG1 4.07Å; L1145-V1317 HydrophobicContact CD1-CG2 4.11Å; C1149-V1317 VanDerWaalsContact SG-CG2 3.54Å; C1149-V1317 WeakPolarHBondContact SG-CG2 3.35Å; C1313-V1317 WeakPolarHBondContact O-CB 3.32Å; C1313-V1317 VanDerWaalsContact O-CG2 3.27Å; C1313-V1317 WeakPolarHBondContact O-CG2 3.38Å; C1313-V1317 PolarHBondContact O-N 3.21Å; C1313-V1317 VanDerWaalsContact O-N 3.07Å; R1314-V1317 PolarHBondContact O-N 3.2Å; V1317-F1319 PolarHBondContact O-N 3.44Å; V1317-N1320 PolarHBondContact O-N 3.22Å; V1317-L1321 HydrophobicContact CG1-CD1 3.64Å; V1317-L1321 HydrophobicContact CG1-CG 4.3Å; V1317-L1321 VanDerWaalsContact O-CB 3.27Å; V1317-L1321 WeakPolarHBondContact O-CB 3.41Å; V1317-L1321 WeakPolarHBondContact O-CD1 3.36Å; V1317-L1321 WeakPolarHBondContact O-CG 3.35Å; V1317-L1321 PolarHBondContact O-N 2.96Å |
| 1318 | L | 82.6 | Confident | 75.5 | Confident | 33 Ų | 33 | 34.5 Ų | 34.5 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 177.2 | -174.2 | 68.6 | 0 | 0 | 0 | 111.6 | F625 L814 A818 L1076 R1314 E1315 T1316 L1321 V1322 L1373 | F625-L1318 HydrophobicContact CB-CD2 4.22Å; F625-L1318 HydrophobicContact CD1-CD2 3.56Å; F625-L1318 VanDerWaalsContact CD1-CD2 3.43Å; F625-L1318 HydrophobicContact CD1-CG 4.45Å; F625-L1318 HydrophobicContact CD2-CD2 4.16Å; F625-L1318 HydrophobicContact CE1-CD2 3.79Å; F625-L1318 HydrophobicContact CE1-CG 4.2Å; F625-L1318 HydrophobicContact CE2-CD2 4.44Å; F625-L1318 HydrophobicContact CG-CD2 4.01Å; F625-L1318 HydrophobicContact CZ-CD2 4.42Å; L814-L1318 HydrophobicContact CD2-CD2 4.33Å; A818-L1318 HydrophobicContact CB-CD1 3.49Å; A818-L1318 VanDerWaalsContact CB-CD1 3.49Å; A818-L1318 HydrophobicContact CB-CG 4.45Å; L1076-L1318 HydrophobicContact CD1-CD1 3.95Å; L1076-L1318 HydrophobicContact CD2-CB 4.38Å; L1076-L1318 HydrophobicContact CD2-CD1 3.8Å; L1076-L1318 HydrophobicContact CG-CD1 4.42Å; R1314-L1318 VanDerWaalsContact O-CB 3.26Å; R1314-L1318 WeakPolarHBondContact O-CB 3.31Å; R1314-L1318 PolarHBondContact O-N 2.96Å; E1315-L1318 PolarHBondContact O-N 2.9Å; T1316-L1318 VanDerWaalsContact C-N 3.34Å; T1316-L1318 PolarHBondContact O-N 3.01Å; L1318-L1321 PolarHBondContact O-N 3.13Å; L1318-V1322 HydrophobicContact CD1-CG2 4.32Å; L1318-V1322 HydrophobicContact CG-CG2 4.43Å; L1318-V1322 VanDerWaalsContact O-CB 3.32Å; L1318-V1322 WeakPolarHBondContact O-CB 3.3Å; L1318-V1322 VanDerWaalsContact O-CG2 3.27Å; L1318-V1322 WeakPolarHBondContact O-CG2 3.38Å; L1318-V1322 PolarHBondContact O-N 2.92Å; L1318-L1373 HydrophobicContact CD2-CD1 4.05Å |
| 1319 | F | 78 | Confident | 73.4 | Confident | 92.4 Ų | 92.4 | 41.9 Ų | 41.9 | 41% | 0.405 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 178.8 | 179.9 | -92.9 | 0 | 0 | 0 | 112 | E1315 T1316 V1317 L1321 V1322 N1323 I1325 F1359 F1367 | E1315-F1319 VanDerWaalsContact O-CB 3.29Å; E1315-F1319 WeakPolarHBondContact O-CB 3.35Å; E1315-F1319 PolarHBondContact O-N 2.98Å; T1316-F1319 PolarHBondContact O-N 3.4Å; V1317-F1319 PolarHBondContact O-N 3.44Å; F1319-L1321 VanDerWaalsContact C-N 3.34Å; F1319-L1321 PolarHBondContact O-N 3.18Å; F1319-V1322 PolarHBondContact O-N 3.21Å; F1319-N1323 VanDerWaalsContact CD2-ND2 3.32Å; F1319-N1323 WeakPolarHBondContact CD2-ND2 3.36Å; F1319-N1323 WeakPolarHBondContact CE1-ND2 3.45Å; F1319-N1323 WeakPolarHBondContact CE2-ND2 3.43Å; F1319-N1323 WeakPolarHBondContact CZ-ND2 3.32Å; F1319-N1323 WeakPolarHBondContact O-CB 3.41Å; F1319-N1323 PolarHBondContact O-N 2.99Å; F1319-N1323 VanDerWaalsContact O-N 3.09Å; F1319-N1323 PolarHBondContact O-ND2 3.06Å; F1319-I1325 HydrophobicContact CD1-CD1 4.43Å; F1319-I1325 HydrophobicContact CE1-CD1 3.76Å; F1319-I1325 HydrophobicContact CZ-CD1 4.37Å; F1319-F1359 HydrophobicContact CD1-CZ 4.33Å; F1319-F1367 AromaticContact CD2-CE2 3.85Å; F1319-F1367 HydrophobicContact CD2-CE2 3.85Å; F1319-F1367 HydrophobicContact CD2-CZ 4.36Å; F1319-F1367 HydrophobicContact CE2-CE2 4.46Å |
| 1320 | N | 78.6 | Confident | 71.6 | Confident | 23.8 Ų | 23.8 | 45.7 Ų | 45.7 | 13% | 0.127 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 179.4 | -71.4 | -15.7 | 0 | 0 | 0 | 111.5 | S1148 T1316 V1317 V1322 G1324 I1325 | S1148-N1320 PolarHBondContact O-ND2 3.17Å; S1148-N1320 VanDerWaalsContact O-ND2 3.1Å; T1316-N1320 WeakPolarHBondContact O-CB 3.32Å; T1316-N1320 VanDerWaalsContact O-CG 3.23Å; T1316-N1320 PolarHBondContact O-N 3.14Å; T1316-N1320 PolarHBondContact O-ND2 3.09Å; V1317-N1320 PolarHBondContact O-N 3.22Å; N1320-V1322 PolarHBondContact O-N 3.49Å; N1320-G1324 PolarHBondContact O-N 3Å; N1320-I1325 PolarHBondContact O-N 3.13Å; N1320-I1325 VanDerWaalsContact O-N 3.14Å |
| 1321 | L | 80.7 | Confident | 69.8 | Low | 9.8 Ų | 9.8 | 49.2 Ų | 49.2 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.1 | -37.2 | -179.5 | -75.5 | 174.9 | 0 | 0 | 0 | 113.5 | F1072 L1076 S1148 V1317 L1318 F1319 | F1072-L1321 HydrophobicContact CD2-CB 3.7Å; F1072-L1321 HydrophobicContact CD2-CD1 4.45Å; F1072-L1321 HydrophobicContact CD2-CD2 4.46Å; F1072-L1321 HydrophobicContact CD2-CG 4.43Å; F1072-L1321 HydrophobicContact CE2-CB 3.69Å; L1076-L1321 HydrophobicContact CD2-CD1 3.93Å; L1076-L1321 HydrophobicContact CG-CD1 3.93Å; S1148-L1321 VanDerWaalsContact OG-CD2 3.27Å; S1148-L1321 WeakPolarHBondContact OG-CD2 3.21Å; V1317-L1321 HydrophobicContact CG1-CD1 3.64Å; V1317-L1321 HydrophobicContact CG1-CG 4.3Å; V1317-L1321 VanDerWaalsContact O-CB 3.27Å; V1317-L1321 WeakPolarHBondContact O-CB 3.41Å; V1317-L1321 WeakPolarHBondContact O-CD1 3.36Å; V1317-L1321 WeakPolarHBondContact O-CG 3.35Å; V1317-L1321 PolarHBondContact O-N 2.96Å; L1318-L1321 PolarHBondContact O-N 3.13Å; F1319-L1321 VanDerWaalsContact C-N 3.34Å; F1319-L1321 PolarHBondContact O-N 3.18Å |
| 1322 | V | 78.7 | Confident | 68.5 | Low | 25.4 Ų | 25.4 | 52.7 Ų | 52.7 | 15% | 0.154 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.9 | -38.6 | -179.1 | 168.7 | 0 | 0 | 0 | 0 | 112 | A818 H821 N825 F1072 L1318 F1319 N1320 G1324 | A818-V1322 HydrophobicContact CB-CG2 4.2Å; H821-V1322 HydrophobicContact CB-CG1 4.03Å; N825-V1322 PolarHBondContact ND2-O 3.03Å; N825-V1322 VanDerWaalsContact ND2-O 3.09Å; F1072-V1322 HydrophobicContact CE2-CG2 4.01Å; F1072-V1322 HydrophobicContact CZ-CG2 4.14Å; L1318-V1322 HydrophobicContact CD1-CG2 4.32Å; L1318-V1322 HydrophobicContact CG-CG2 4.43Å; L1318-V1322 VanDerWaalsContact O-CB 3.32Å; L1318-V1322 WeakPolarHBondContact O-CB 3.3Å; L1318-V1322 VanDerWaalsContact O-CG2 3.27Å; L1318-V1322 WeakPolarHBondContact O-CG2 3.38Å; L1318-V1322 PolarHBondContact O-N 2.92Å; F1319-V1322 PolarHBondContact O-N 3.21Å; N1320-V1322 PolarHBondContact O-N 3.49Å; V1322-G1324 VanDerWaalsContact C-N 3.29Å; V1322-G1324 PolarHBondContact O-N 3.23Å |
| 1323 | N | 73.1 | Confident | 67.9 | Low | 72.6 Ų | 72.6 | 53.7 Ų | 53.7 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -85 | -4.3 | -178.3 | -67.2 | -33.7 | 0 | 0 | 0 | 113.3 | F1319 I1325 | F1319-N1323 VanDerWaalsContact CD2-ND2 3.32Å; F1319-N1323 WeakPolarHBondContact CD2-ND2 3.36Å; F1319-N1323 WeakPolarHBondContact CE1-ND2 3.45Å; F1319-N1323 WeakPolarHBondContact CE2-ND2 3.43Å; F1319-N1323 WeakPolarHBondContact CZ-ND2 3.32Å; F1319-N1323 WeakPolarHBondContact O-CB 3.41Å; F1319-N1323 PolarHBondContact O-N 2.99Å; F1319-N1323 VanDerWaalsContact O-N 3.09Å; F1319-N1323 PolarHBondContact O-ND2 3.06Å; N1323-I1325 VanDerWaalsContact C-N 3.25Å; N1323-I1325 HydrophobicContact CB-CB 4.44Å; N1323-I1325 HydrophobicContact CB-CD1 3.7Å; N1323-I1325 HydrophobicContact CB-CG1 3.75Å; N1323-I1325 PolarHBondContact O-N 3.04Å; N1323-I1325 VanDerWaalsContact O-N 3.12Å |
| 1324 | G | 66.7 | Low | 67.6 | Low | 43.8 Ų | 43.8 | 54.3 Ų | 54.3 | 45% | 0.452 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 20.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1320 V1322 Y1326 | N1320-G1324 PolarHBondContact O-N 3Å; V1322-G1324 VanDerWaalsContact C-N 3.29Å; V1322-G1324 PolarHBondContact O-N 3.23Å; G1324-Y1326 WeakPolarHBondContact O-CD2 3.34Å; G1324-Y1326 PolarHBondContact O-N 3.2Å |
| 1325 | I | 59.2 | Low | 67.6 | Low | 64.6 Ų | 64.6 | 52.6 Ų | 52.6 | 33% | 0.331 | 30% | 0.297 | S | S | . | . | trans | -78 | 85 | 173.4 | -56.9 | 168.2 | 0 | 0 | 0 | 105.4 | F1319 N1320 N1323 P1327 | F1319-I1325 HydrophobicContact CD1-CD1 4.43Å; F1319-I1325 HydrophobicContact CE1-CD1 3.76Å; F1319-I1325 HydrophobicContact CZ-CD1 4.37Å; N1320-I1325 PolarHBondContact O-N 3.13Å; N1320-I1325 VanDerWaalsContact O-N 3.14Å; N1323-I1325 VanDerWaalsContact C-N 3.25Å; N1323-I1325 HydrophobicContact CB-CB 4.44Å; N1323-I1325 HydrophobicContact CB-CD1 3.7Å; N1323-I1325 HydrophobicContact CB-CG1 3.75Å; N1323-I1325 PolarHBondContact O-N 3.04Å; N1323-I1325 VanDerWaalsContact O-N 3.12Å; I1325-P1327 VanDerWaalsContact C-N 3.33Å; I1325-P1327 HydrophobicContact CG2-CB 4.2Å; I1325-P1327 WeakPolarHBondContact O-CD 3.46Å | ||
| 1326 | Y | 54.2 | Low | 67.7 | Low | 109 Ų | 109 | 52.2 Ų | 52.2 | 43% | 0.427 | 30% | 0.296 | S | S | . | . | trans | -66.9 | 126.5 | 156.1 | -65.5 | -77.4 | 0 | 0 | 0 | 105.7 | G1324 G1328 E1329 | G1324-Y1326 WeakPolarHBondContact O-CD2 3.34Å; G1324-Y1326 PolarHBondContact O-N 3.2Å; Y1326-G1328 VanDerWaalsContact C-N 3.27Å; Y1326-G1328 PolarHBondContact O-N 3.07Å; Y1326-E1329 PolarHBondContact O-N 3Å | ||
| 1327 | P | 49.2 | Very low | 67.9 | Low | 30.2 Ų | 30.2 | 54.4 Ų | 54.4 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | trans | -64.8 | 52.6 | -176.2 | 14.9 | -17.4 | 0 | 0 | 0 | 110.7 | R1147 I1325 E1329 H1330 C1331 | R1147-P1327 WeakPolarHBondContact O-CD 3.46Å; R1147-P1327 VanDerWaalsContact O-CG 3.3Å; R1147-P1327 WeakPolarHBondContact O-CG 3.31Å; I1325-P1327 VanDerWaalsContact C-N 3.33Å; I1325-P1327 HydrophobicContact CG2-CB 4.2Å; I1325-P1327 WeakPolarHBondContact O-CD 3.46Å; P1327-E1329 VanDerWaalsContact C-N 3.3Å; P1327-E1329 CarbonylContact O-C 3.58Å; P1327-E1329 PolarHBondContact O-N 3.1Å; P1327-E1329 VanDerWaalsContact O-N 3.07Å; P1327-H1330 CarbonylContact O-C 3.55Å; P1327-H1330 PolarHBondContact O-CE1 3.38Å; P1327-H1330 VanDerWaalsContact O-CE1 3.3Å; P1327-H1330 PolarHBondContact O-N 2.9Å; P1327-H1330 PolarHBondContact O-ND1 3.32Å; P1327-C1331 HydrophobicContact CB-CB 3.67Å; P1327-C1331 VanDerWaalsContact CB-SG 3.53Å; P1327-C1331 WeakPolarHBondContact O-CA 3.46Å; P1327-C1331 PolarHBondContact O-N 3.32Å | ||
| 1328 | G | 45.7 | Very low | 67.8 | Low | 67.4 Ų | 67.4 | 56.1 Ų | 56.1 | 70% | 0.695 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -70.4 | -6.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1326 | Y1326-G1328 VanDerWaalsContact C-N 3.27Å; Y1326-G1328 PolarHBondContact O-N 3.07Å |
| 1329 | E | 46.3 | Very low | 67.5 | Low | 155 Ų | 155 | 57.1 Ų | 57.1 | 72% | 0.724 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -106.7 | 58 | 162 | -68.6 | -176.5 | 166 | 0 | 0 | 108.9 | Y1326 P1327 C1331 | Y1326-E1329 PolarHBondContact O-N 3Å; P1327-E1329 VanDerWaalsContact C-N 3.3Å; P1327-E1329 CarbonylContact O-C 3.58Å; P1327-E1329 PolarHBondContact O-N 3.1Å; P1327-E1329 VanDerWaalsContact O-N 3.07Å; E1329-C1331 HydrophobicContact CB-CB 4.19Å; E1329-C1331 VanDerWaalsContact CB-SG 3.53Å; E1329-C1331 WeakPolarHBondContact CB-SG 3.28Å; E1329-C1331 PolarHBondContact O-N 2.88Å; E1329-C1331 PolarHBondContact OE2-SG 3.31Å; E1329-C1331 VanDerWaalsContact OE2-SG 3.41Å |
| 1330 | H | 50 | Low | 66.8 | Low | 81 Ų | 81 | 54.8 Ų | 54.8 | 38% | 0.375 | 31% | 0.312 | S | S | . | . | trans | -94.4 | 33.2 | 174 | -66.3 | -50.4 | 0 | 0 | 0 | 112.3 | R1211 E1214 P1327 L1332 D1333 | R1211-H1330 PolarHBondContact NE-ND1 3.38Å; E1214-H1330 IonicContact OE2-CD2 3.31Å; E1214-H1330 PolarHBondContact OE2-CD2 2.98Å; E1214-H1330 IonicContact OE2-CG 3.28Å; E1214-H1330 IonicContact OE2-NE2 3.28Å; E1214-H1330 PolarHBondContact OE2-NE2 2.8Å; P1327-H1330 CarbonylContact O-C 3.55Å; P1327-H1330 PolarHBondContact O-CE1 3.38Å; P1327-H1330 VanDerWaalsContact O-CE1 3.3Å; P1327-H1330 PolarHBondContact O-N 2.9Å; P1327-H1330 PolarHBondContact O-ND1 3.32Å; H1330-L1332 PolarHBondContact O-N 3.06Å; H1330-D1333 HydrophobicContact CB-CB 4.3Å; H1330-D1333 IonicContact CG-OD2 3.49Å; H1330-D1333 IonicContact ND1-OD2 3.56Å; H1330-D1333 PolarHBondContact ND1-OD2 2.79Å; H1330-D1333 WeakPolarHBondContact O-CB 3.42Å; H1330-D1333 PolarHBondContact O-N 3.06Å | ||
| 1331 | C | 50 | Low | 65.5 | Low | 77 Ų | 77 | 59.2 Ų | 59.2 | 52% | 0.52 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 28.4 | -176.9 | -111 | 0 | 0 | 0 | 0 | 112.7 | P1327 E1329 D1333 | P1327-C1331 HydrophobicContact CB-CB 3.67Å; P1327-C1331 VanDerWaalsContact CB-SG 3.53Å; P1327-C1331 WeakPolarHBondContact O-CA 3.46Å; P1327-C1331 PolarHBondContact O-N 3.32Å; E1329-C1331 HydrophobicContact CB-CB 4.19Å; E1329-C1331 VanDerWaalsContact CB-SG 3.53Å; E1329-C1331 WeakPolarHBondContact CB-SG 3.28Å; E1329-C1331 PolarHBondContact O-N 2.88Å; E1329-C1331 PolarHBondContact OE2-SG 3.31Å; E1329-C1331 VanDerWaalsContact OE2-SG 3.41Å; C1331-D1333 VanDerWaalsContact C-N 3.28Å; C1331-D1333 PolarHBondContact O-N 2.85Å; C1331-D1333 VanDerWaalsContact O-N 3.09Å |
| 1332 | L | 57.1 | Low | 63.8 | Low | 92.6 Ų | 92.6 | 62.2 Ų | 62.2 | 49% | 0.485 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 12.3 | 172.7 | -63.9 | 174.3 | 0 | 0 | 0 | 112.2 | R1150 H1330 E1378 | R1150-L1332 HydrophobicContact CG-CB 4.25Å; R1150-L1332 PolarHBondContact NE-O 3.04Å; H1330-L1332 PolarHBondContact O-N 3.06Å; L1332-E1378 WeakPolarHBondContact CD1-OE1 2.97Å |
| 1333 | D | 73 | Confident | 62.1 | Low | 21.8 Ų | 21.8 | 64 Ų | 64 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | trans | -74.1 | 130.4 | 174.1 | -70.4 | -10.4 | 0 | 0 | 0 | 109.4 | L1151 R1211 S1215 H1330 C1331 | L1151-D1333 PolarHBondContact N-OD1 3.26Å; L1151-D1333 VanDerWaalsContact N-OD1 3.1Å; L1151-D1333 VanDerWaalsContact O-CA 3.26Å; L1151-D1333 WeakPolarHBondContact O-CA 3.35Å; L1151-D1333 WeakPolarHBondContact O-CB 3.37Å; R1211-D1333 IonicContact CZ-OD1 3.28Å; R1211-D1333 IonicContact CZ-OD2 2.95Å; R1211-D1333 IonicContact NE-OD1 2.92Å; R1211-D1333 IonicContact NE-OD2 3.46Å; R1211-D1333 PolarHBondContact NE-OD2 3.14Å; R1211-D1333 IonicContact NH2-OD1 3.51Å; R1211-D1333 PolarHBondContact NH2-OD1 2.95Å; R1211-D1333 IonicContact NH2-OD2 3.35Å; R1211-D1333 PolarHBondContact NH2-OD2 3.11Å; S1215-D1333 WeakPolarHBondContact CB-O 3.23Å; H1330-D1333 HydrophobicContact CB-CB 4.3Å; H1330-D1333 IonicContact CG-OD2 3.49Å; H1330-D1333 IonicContact ND1-OD2 3.56Å; H1330-D1333 PolarHBondContact ND1-OD2 2.79Å; H1330-D1333 WeakPolarHBondContact O-CB 3.42Å; H1330-D1333 PolarHBondContact O-N 3.06Å; C1331-D1333 VanDerWaalsContact C-N 3.28Å; C1331-D1333 PolarHBondContact O-N 2.85Å; C1331-D1333 VanDerWaalsContact O-N 3.09Å | ||
| 1334 | A | 76.3 | Confident | 60.8 | Low | 16 Ų | 16 | 64.6 Ų | 64.6 | 13% | 0.132 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1151 I1152 T1153 T1348 V1372 | L1151-A1334 PolarHBondContact O-N 3.05Å; I1152-A1334 CarbonylContact C-O 3.55Å; I1152-A1334 VanDerWaalsContact CA-O 3.31Å; I1152-A1334 WeakPolarHBondContact CA-O 3.22Å; I1152-A1334 HydrophobicContact CG1-CB 4.22Å; T1153-A1334 PolarHBondContact N-O 3.17Å; A1334-T1348 HydrophobicContact CB-CG2 3.32Å; A1334-V1372 HydrophobicContact CB-CG1 3.93Å |
| 1335 | V | 81.7 | Confident | 59.9 | Low | 24 Ų | 24 | 70.8 Ų | 70.8 | 15% | 0.145 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 116.9 | 175.6 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | T1153 L1155 L1212 H1217 P1218 | T1153-V1335 HydrophobicContact CG2-CG1 4.46Å; T1153-V1335 CarbonylContact O-C 3.48Å; T1153-V1335 VanDerWaalsContact O-CA 3.31Å; T1153-V1335 WeakPolarHBondContact O-CA 3.31Å; L1155-V1335 HydrophobicContact CD1-CG1 3.84Å; L1155-V1335 HydrophobicContact CG-CG1 4.14Å; L1212-V1335 HydrophobicContact CD1-CG2 3.63Å; H1217-V1335 HydrophobicContact CB-CB 4.13Å; H1217-V1335 HydrophobicContact CB-CG1 4.21Å; H1217-V1335 HydrophobicContact CB-CG2 3.78Å; P1218-V1335 HydrophobicContact CG-CG1 4.36Å |
| 1336 | E | 81.3 | Confident | 59.5 | Low | 31.8 Ų | 31.8 | 71.1 Ų | 71.1 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.7 | 175.9 | -83.2 | -172.2 | 156.8 | 0 | 0 | 109.8 | T1153 M1154 L1155 L1338 P1347 T1348 L1373 | T1153-E1336 PolarHBondContact O-N 3.11Å; M1154-E1336 WeakPolarHBondContact CA-O 3.41Å; M1154-E1336 WeakPolarHBondContact CE-OE2 3.42Å; M1154-E1336 HydrophobicContact CG-CB 4.36Å; L1155-E1336 PolarHBondContact N-O 2.95Å; E1336-L1338 HydrophobicContact CG-CD2 4.16Å; E1336-L1338 HydrophobicContact CG-CG 4.24Å; E1336-L1338 PolarHBondContact O-N 3.2Å; E1336-P1347 WeakPolarHBondContact OE1-CA 3.41Å; E1336-T1348 WeakPolarHBondContact OE1-CB 3.49Å; E1336-T1348 PolarHBondContact OE1-N 3.19Å; E1336-T1348 PolarHBondContact OE1-OG1 2.8Å; E1336-L1373 HydrophobicContact CG-CD2 4.19Å; E1336-L1373 VanDerWaalsContact OE1-CD1 3.31Å; E1336-L1373 WeakPolarHBondContact OE1-CD1 3.41Å; E1336-L1373 WeakPolarHBondContact OE1-CD2 3.34Å; E1336-L1373 WeakPolarHBondContact OE1-CG 3.29Å |
| 1337 | D | 80.9 | Confident | 59.2 | Low | 69.6 Ų | 69.6 | 69.3 Ų | 69.3 | 37% | 0.372 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 97.2 | 179 | -160.8 | -7.9 | 0 | 0 | 0 | 110.9 | P1218 R1339 | P1218-D1337 VanDerWaalsContact CB-OD2 3.29Å; P1218-D1337 WeakPolarHBondContact CB-OD2 3.39Å; P1218-D1337 HydrophobicContact CG-CB 4.09Å; P1218-D1337 VanDerWaalsContact CG-OD2 3.29Å; P1218-D1337 WeakPolarHBondContact CG-OD2 3.37Å; D1337-R1339 PolarHBondContact O-N 2.87Å; D1337-R1339 VanDerWaalsContact OD1-CB 3.3Å; D1337-R1339 WeakPolarHBondContact OD1-CB 3.34Å; D1337-R1339 VanDerWaalsContact OD1-CG 3.26Å; D1337-R1339 WeakPolarHBondContact OD1-CG 3.39Å; D1337-R1339 IonicContact OD1-CZ 3.09Å; D1337-R1339 PolarHBondContact OD1-N 2.88Å; D1337-R1339 IonicContact OD1-NE 3.51Å; D1337-R1339 PolarHBondContact OD1-NE 2.91Å; D1337-R1339 IonicContact OD1-NH2 3.32Å; D1337-R1339 PolarHBondContact OD1-NH2 3.42Å; D1337-R1339 IonicContact OD2-CZ 3.29Å; D1337-R1339 IonicContact OD2-NE 3.33Å; D1337-R1339 PolarHBondContact OD2-NE 3.31Å; D1337-R1339 IonicContact OD2-NH2 3.37Å; D1337-R1339 PolarHBondContact OD2-NH2 3.12Å |
| 1338 | L | 80.1 | Confident | 59.5 | Low | 37.4 Ų | 37.4 | 72.1 Ų | 72.1 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | trans | -99.5 | 14.4 | 178 | -59.2 | 176.2 | 0 | 0 | 0 | 112.1 | M1154 L1155 F1156 E1336 S1340 E1397 | M1154-L1338 HydrophobicContact CB-CD1 4.35Å; M1154-L1338 HydrophobicContact CE-CD1 3.71Å; M1154-L1338 VanDerWaalsContact CE-CD1 3.45Å; M1154-L1338 HydrophobicContact CG-CD1 4.43Å; M1154-L1338 HydrophobicContact SD-CD1 4.38Å; L1155-L1338 CarbonylContact O-C 3.55Å; L1155-L1338 VanDerWaalsContact O-CA 3.26Å; L1155-L1338 WeakPolarHBondContact O-CA 3.41Å; L1155-L1338 WeakPolarHBondContact O-CB 3.35Å; L1155-L1338 PolarHBondContact O-N 3.28Å; L1155-L1338 VanDerWaalsContact O-N 3.08Å; F1156-L1338 HydrophobicContact CD1-CB 4.32Å; F1156-L1338 HydrophobicContact CD1-CD1 4.41Å; F1156-L1338 HydrophobicContact CE1-CB 4.24Å; F1156-L1338 HydrophobicContact CE1-CD1 3.78Å; F1156-L1338 HydrophobicContact CE2-CD1 3.92Å; F1156-L1338 HydrophobicContact CZ-CB 4.48Å; F1156-L1338 HydrophobicContact CZ-CD1 3.42Å; F1156-L1338 VanDerWaalsContact CZ-CD1 3.44Å; E1336-L1338 HydrophobicContact CG-CD2 4.16Å; E1336-L1338 HydrophobicContact CG-CG 4.24Å; E1336-L1338 PolarHBondContact O-N 3.2Å; L1338-S1340 PolarHBondContact O-N 3.13Å; L1338-E1397 HydrophobicContact CD1-CB 4.4Å; L1338-E1397 HydrophobicContact CD1-CG 4.21Å | ||
| 1339 | R | 77.3 | Confident | 59.8 | Low | 54.4 Ų | 54.4 | 74 Ų | 74 | 21% | 0.205 | 41% | 0.405 | C | S | . | . | trans | -68 | 113.9 | 176.7 | -63.6 | 178.3 | -66 | 179.5 | -4.8 | 109.9 | L1155 P1219 D1337 T1341 | L1155-R1339 HydrophobicContact CB-CG 4.25Å; L1155-R1339 PolarHBondContact O-N 3.23Å; L1155-R1339 VanDerWaalsContact O-N 3.11Å; P1219-R1339 PolarHBondContact O-NH1 3.29Å; P1219-R1339 VanDerWaalsContact O-NH1 3.16Å; P1219-R1339 PolarHBondContact O-NH2 3.01Å; D1337-R1339 PolarHBondContact O-N 2.87Å; D1337-R1339 VanDerWaalsContact OD1-CB 3.3Å; D1337-R1339 WeakPolarHBondContact OD1-CB 3.34Å; D1337-R1339 VanDerWaalsContact OD1-CG 3.26Å; D1337-R1339 WeakPolarHBondContact OD1-CG 3.39Å; D1337-R1339 IonicContact OD1-CZ 3.09Å; D1337-R1339 PolarHBondContact OD1-N 2.88Å; D1337-R1339 IonicContact OD1-NE 3.51Å; D1337-R1339 PolarHBondContact OD1-NE 2.91Å; D1337-R1339 IonicContact OD1-NH2 3.32Å; D1337-R1339 PolarHBondContact OD1-NH2 3.42Å; D1337-R1339 IonicContact OD2-CZ 3.29Å; D1337-R1339 IonicContact OD2-NE 3.33Å; D1337-R1339 PolarHBondContact OD2-NE 3.31Å; D1337-R1339 IonicContact OD2-NH2 3.37Å; D1337-R1339 PolarHBondContact OD2-NH2 3.12Å; R1339-T1341 PolarHBondContact O-N 3.4Å; R1339-T1341 VanDerWaalsContact O-N 3.13Å | ||
| 1340 | S | 62.7 | Low | 60.3 | Low | 43.8 Ų | 43.8 | 69 Ų | 69 | 31% | 0.306 | 39% | 0.385 | S | S | . | . | trans | -83.3 | 112.5 | 177.2 | 39.4 | 0 | 0 | 0 | 0 | 110.4 | S1157 L1338 M1342 | S1157-S1340 PolarHBondContact OG-N 3.36Å; S1157-S1340 VanDerWaalsContact OG-N 3.13Å; S1157-S1340 PolarHBondContact OG-OG 2.96Å; L1338-S1340 PolarHBondContact O-N 3.13Å; S1340-M1342 VanDerWaalsContact C-N 3.28Å; S1340-M1342 PolarHBondContact O-N 2.97Å | ||
| 1341 | T | 50.7 | Low | 60.6 | Low | 115.4 Ų | 115.4 | 67.1 Ų | 67.1 | 71% | 0.708 | 38% | 0.378 | S | S | * | . | trans | -75.8 | 71.9 | 174 | 33.8 | 0 | 0 | 0 | 0 | 110.4 | R1339 S1343 | R1339-T1341 PolarHBondContact O-N 3.4Å; R1339-T1341 VanDerWaalsContact O-N 3.13Å; T1341-S1343 PolarHBondContact O-N 3.13Å | ||
| 1342 | M | 45.1 | Very low | 60.9 | Low | 73.4 Ų | 73.4 | 66.7 Ų | 66.7 | 36% | 0.362 | 37% | 0.37 | S | S | . | . | trans | -87.1 | 89 | 173.9 | -71.1 | -65.4 | -55.3 | 0 | 0 | 110 | S1340 E1346 L1351 V1421 F1425 | S1340-M1342 VanDerWaalsContact C-N 3.28Å; S1340-M1342 PolarHBondContact O-N 2.97Å; M1342-E1346 WeakPolarHBondContact CE-OE2 3.46Å; M1342-L1351 HydrophobicContact CE-CD2 3.63Å; M1342-L1351 HydrophobicContact SD-CD2 3.77Å; M1342-V1421 HydrophobicContact CB-CG1 4.37Å; M1342-V1421 HydrophobicContact CE-CG1 3.41Å; M1342-F1425 HydrophobicContact CE-CB 3.63Å; M1342-F1425 HydrophobicContact CE-CD2 3.87Å; M1342-F1425 HydrophobicContact CE-CG 4.03Å; M1342-F1425 HydrophobicContact CG-CD2 3.83Å; M1342-F1425 HydrophobicContact CG-CE2 4.28Å; M1342-F1425 HydrophobicContact SD-CB 4.13Å; M1342-F1425 HydrophobicContact SD-CD2 3.59Å; M1342-F1425 WeakPolarHBondContact SD-CD2 3.35Å; M1342-F1425 HydrophobicContact SD-CE2 3.85Å; M1342-F1425 HydrophobicContact SD-CG 3.83Å | ||
| 1343 | S | 44.2 | Very low | 61 | Low | 64 Ų | 64 | 67.8 Ų | 67.8 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | trans | -95.2 | 129.9 | 162.6 | 77.1 | 0 | 0 | 0 | 0 | 108.9 | T1341 E1345 E1346 | T1341-S1343 PolarHBondContact O-N 3.13Å; S1343-E1345 VanDerWaalsContact C-N 3.35Å; S1343-E1345 PolarHBondContact O-N 3.03Å; S1343-E1345 VanDerWaalsContact O-N 3.15Å; S1343-E1346 PolarHBondContact O-N 2.96Å; S1343-E1346 VanDerWaalsContact O-N 3.13Å; S1343-E1346 WeakPolarHBondContact OG-CB 3.43Å; S1343-E1346 WeakPolarHBondContact OG-CG 3.26Å; S1343-E1346 PolarHBondContact OG-N 3.17Å | ||
| 1344 | P | 45.3 | Very low | 60.2 | Low | 84.4 Ų | 84.4 | 71.2 Ų | 71.2 | 55% | 0.548 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -2.5 | -178.6 | 18.8 | -18.1 | 0 | 0 | 0 | 113.4 | Y1300 V1421 | Y1300-P1344 HydrophobicContact CE1-CG 4.2Å; Y1300-P1344 HydrophobicContact CE2-CB 4.12Å; Y1300-P1344 HydrophobicContact CE2-CG 3.65Å; Y1300-P1344 VanDerWaalsContact CZ-CG 3.47Å; Y1300-P1344 WeakPolarHBondContact OH-CG 3.44Å; P1344-V1421 HydrophobicContact CB-CG2 4.44Å |
| 1345 | E | 48 | Very low | 59.3 | Low | 173.6 Ų | 173.6 | 73.4 Ų | 73.4 | 81% | 0.811 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 20.8 | -178.2 | -61.8 | -167.6 | 169.5 | 0 | 0 | 112.9 | S1343 P1347 | S1343-E1345 VanDerWaalsContact C-N 3.35Å; S1343-E1345 PolarHBondContact O-N 3.03Å; S1343-E1345 VanDerWaalsContact O-N 3.15Å; E1345-P1347 WeakPolarHBondContact O-CD 3.27Å; E1345-P1347 VanDerWaalsContact O-N 3.12Å |
| 1346 | E | 49.6 | Very low | 58.2 | Low | 70.8 Ų | 70.8 | 76.3 Ų | 76.3 | 33% | 0.331 | 41% | 0.405 | S | S | . | . | trans | -64.3 | 116.3 | 176.9 | -126.3 | -177.2 | 166.8 | 0 | 0 | 109.2 | M1342 S1343 T1348 T1350 L1351 | M1342-E1346 WeakPolarHBondContact CE-OE2 3.46Å; S1343-E1346 PolarHBondContact O-N 2.96Å; S1343-E1346 VanDerWaalsContact O-N 3.13Å; S1343-E1346 WeakPolarHBondContact OG-CB 3.43Å; S1343-E1346 WeakPolarHBondContact OG-CG 3.26Å; S1343-E1346 PolarHBondContact OG-N 3.17Å; E1346-T1348 PolarHBondContact O-N 3.28Å; E1346-T1350 HydrophobicContact CG-CG2 4.08Å; E1346-T1350 VanDerWaalsContact OE1-CG2 3.25Å; E1346-T1350 WeakPolarHBondContact OE1-CG2 3.33Å; E1346-L1351 HydrophobicContact CG-CD2 4.39Å | ||
| 1347 | P | 49.1 | Very low | 56.8 | Low | 72.6 Ų | 72.6 | 77.1 Ų | 77.1 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | trans | -59.4 | 145.7 | 180 | 4.6 | -5.5 | 0 | 0 | 0 | 109.6 | E1336 E1345 L1349 T1350 L1351 V1390 | E1336-P1347 WeakPolarHBondContact OE1-CA 3.41Å; E1345-P1347 WeakPolarHBondContact O-CD 3.27Å; E1345-P1347 VanDerWaalsContact O-N 3.12Å; P1347-L1349 HydrophobicContact CB-CB 4.43Å; P1347-L1349 PolarHBondContact O-N 3.07Å; P1347-T1350 WeakPolarHBondContact CB-OG1 3.37Å; P1347-T1350 VanDerWaalsContact CD-OG1 3.25Å; P1347-T1350 WeakPolarHBondContact CD-OG1 3.27Å; P1347-T1350 VanDerWaalsContact CG-OG1 3.28Å; P1347-T1350 WeakPolarHBondContact CG-OG1 3.42Å; P1347-T1350 WeakPolarHBondContact O-CA 3.24Å; P1347-T1350 WeakPolarHBondContact O-CB 3.38Å; P1347-T1350 PolarHBondContact O-N 3.28Å; P1347-T1350 PolarHBondContact O-OG1 3.05Å; P1347-L1351 PolarHBondContact O-N 3.14Å; P1347-V1390 HydrophobicContact CB-CG1 4.44Å; P1347-V1390 HydrophobicContact CG-CG1 4.29Å | ||
| 1348 | T | 55.3 | Low | 55.4 | Low | 88.8 Ų | 88.8 | 78 Ų | 78 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -51.3 | -30.1 | -179.9 | -9.6 | 0 | 0 | 0 | 0 | 112.8 | I1152 A1334 E1336 E1346 T1350 L1351 L1352 | I1152-T1348 HydrophobicContact CB-CG2 4.49Å; I1152-T1348 HydrophobicContact CD1-CG2 3.98Å; I1152-T1348 HydrophobicContact CG1-CG2 3.91Å; I1152-T1348 HydrophobicContact CG2-CG2 3.84Å; A1334-T1348 HydrophobicContact CB-CG2 3.32Å; E1336-T1348 WeakPolarHBondContact OE1-CB 3.49Å; E1336-T1348 PolarHBondContact OE1-N 3.19Å; E1336-T1348 PolarHBondContact OE1-OG1 2.8Å; E1346-T1348 PolarHBondContact O-N 3.28Å; T1348-T1350 VanDerWaalsContact C-N 3.31Å; T1348-T1350 PolarHBondContact O-N 3.27Å; T1348-L1351 WeakPolarHBondContact O-CB 3.31Å; T1348-L1351 PolarHBondContact O-N 3.21Å; T1348-L1352 WeakPolarHBondContact O-CB 3.31Å; T1348-L1352 PolarHBondContact O-N 3.05Å; T1348-L1352 VanDerWaalsContact O-N 3.13Å |
| 1349 | L | 52.8 | Low | 53.8 | Low | 106.6 Ų | 106.6 | 83.3 Ų | 83.3 | 56% | 0.558 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.7 | -32.4 | 173.3 | -82 | 167.1 | 0 | 0 | 0 | 114 | I1152 M1154 V1309 P1347 L1352 H1353 F1389 | I1152-L1349 HydrophobicContact CD1-CD2 3.65Å; I1152-L1349 HydrophobicContact CD1-CG 4.13Å; M1154-L1349 HydrophobicContact CE-CD1 4.33Å; M1154-L1349 HydrophobicContact SD-CD1 4.38Å; V1309-L1349 HydrophobicContact CG1-CD2 4.19Å; P1347-L1349 HydrophobicContact CB-CB 4.43Å; P1347-L1349 PolarHBondContact O-N 3.07Å; L1349-L1352 PolarHBondContact O-N 2.95Å; L1349-H1353 VanDerWaalsContact O-CB 3.24Å; L1349-H1353 WeakPolarHBondContact O-CB 3.34Å; L1349-H1353 PolarHBondContact O-N 2.91Å; L1349-F1389 HydrophobicContact CB-CB 4.2Å; L1349-F1389 HydrophobicContact CD2-CB 4.5Å; L1349-F1389 WeakPolarHBondContact O-CB 3.11Å |
| 1350 | T | 56.3 | Low | 52.2 | Low | 50.6 Ų | 50.6 | 83.7 Ų | 83.7 | 31% | 0.31 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -73.5 | -38.9 | 175.8 | -34.5 | 0 | 0 | 0 | 0 | 110.9 | E1346 P1347 T1348 L1352 H1353 R1354 V1390 | E1346-T1350 HydrophobicContact CG-CG2 4.08Å; E1346-T1350 VanDerWaalsContact OE1-CG2 3.25Å; E1346-T1350 WeakPolarHBondContact OE1-CG2 3.33Å; P1347-T1350 WeakPolarHBondContact CB-OG1 3.37Å; P1347-T1350 VanDerWaalsContact CD-OG1 3.25Å; P1347-T1350 WeakPolarHBondContact CD-OG1 3.27Å; P1347-T1350 VanDerWaalsContact CG-OG1 3.28Å; P1347-T1350 WeakPolarHBondContact CG-OG1 3.42Å; P1347-T1350 WeakPolarHBondContact O-CA 3.24Å; P1347-T1350 WeakPolarHBondContact O-CB 3.38Å; P1347-T1350 PolarHBondContact O-N 3.28Å; P1347-T1350 PolarHBondContact O-OG1 3.05Å; T1348-T1350 VanDerWaalsContact C-N 3.31Å; T1348-T1350 PolarHBondContact O-N 3.27Å; T1350-L1352 VanDerWaalsContact C-N 3.31Å; T1350-L1352 PolarHBondContact O-N 3.35Å; T1350-H1353 CarbonylContact O-C 3.52Å; T1350-H1353 PolarHBondContact O-N 3.06Å; T1350-R1354 WeakPolarHBondContact O-CB 3.28Å; T1350-R1354 PolarHBondContact O-N 3.21Å; T1350-V1390 HydrophobicContact CG2-CG2 3.92Å; T1350-V1390 VanDerWaalsContact OG1-CG2 3.28Å; T1350-V1390 WeakPolarHBondContact OG1-CG2 3.44Å |
| 1351 | L | 55.3 | Low | 51.3 | Low | 40 Ų | 40 | 83.4 Ų | 83.4 | 21% | 0.209 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 171.1 | -77.7 | 169 | 0 | 0 | 0 | 111.3 | M1342 E1346 P1347 T1348 H1353 R1354 Q1355 | M1342-L1351 HydrophobicContact CE-CD2 3.63Å; M1342-L1351 HydrophobicContact SD-CD2 3.77Å; E1346-L1351 HydrophobicContact CG-CD2 4.39Å; P1347-L1351 PolarHBondContact O-N 3.14Å; T1348-L1351 WeakPolarHBondContact O-CB 3.31Å; T1348-L1351 PolarHBondContact O-N 3.21Å; L1351-H1353 VanDerWaalsContact C-N 3.33Å; L1351-H1353 PolarHBondContact O-N 3.09Å; L1351-R1354 CarbonylContact O-C 3.54Å; L1351-R1354 WeakPolarHBondContact O-CA 3.09Å; L1351-R1354 WeakPolarHBondContact O-CB 3.43Å; L1351-R1354 PolarHBondContact O-N 2.94Å; L1351-R1354 VanDerWaalsContact O-N 3.17Å; L1351-Q1355 WeakPolarHBondContact O-CB 3.48Å; L1351-Q1355 VanDerWaalsContact O-CG 3.24Å; L1351-Q1355 WeakPolarHBondContact O-CG 3.42Å; L1351-Q1355 PolarHBondContact O-N 3.08Å |
| 1352 | L | 56.3 | Low | 51 | Low | 68.6 Ų | 68.6 | 83.6 Ų | 83.6 | 36% | 0.359 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 173.4 | -111.8 | 155.5 | 0 | 0 | 0 | 111.9 | R1150 I1152 D1311 T1348 L1349 T1350 R1354 Q1355 I1356 F1389 | R1150-L1352 HydrophobicContact CB-CD1 4.09Å; I1152-L1352 HydrophobicContact CD1-CB 3.75Å; I1152-L1352 HydrophobicContact CD1-CD1 3.8Å; I1152-L1352 HydrophobicContact CD1-CD2 4.41Å; I1152-L1352 HydrophobicContact CD1-CG 4.19Å; I1152-L1352 HydrophobicContact CG1-CD1 4.29Å; D1311-L1352 HydrophobicContact CB-CD1 4.48Å; T1348-L1352 WeakPolarHBondContact O-CB 3.31Å; T1348-L1352 PolarHBondContact O-N 3.05Å; T1348-L1352 VanDerWaalsContact O-N 3.13Å; L1349-L1352 PolarHBondContact O-N 2.95Å; T1350-L1352 VanDerWaalsContact C-N 3.31Å; T1350-L1352 PolarHBondContact O-N 3.35Å; L1352-R1354 VanDerWaalsContact C-N 3.28Å; L1352-R1354 PolarHBondContact O-N 3.23Å; L1352-Q1355 CarbonylContact O-C 3.6Å; L1352-Q1355 PolarHBondContact O-N 3.25Å; L1352-I1356 HydrophobicContact CD2-CD1 3.78Å; L1352-I1356 HydrophobicContact CD2-CG1 4.25Å; L1352-I1356 HydrophobicContact CG-CD1 3.93Å; L1352-I1356 VanDerWaalsContact O-CB 3.29Å; L1352-I1356 WeakPolarHBondContact O-CB 3.27Å; L1352-I1356 WeakPolarHBondContact O-CD1 3.42Å; L1352-I1356 VanDerWaalsContact O-CG1 3.24Å; L1352-I1356 WeakPolarHBondContact O-CG1 3.43Å; L1352-I1356 PolarHBondContact O-N 3.32Å; L1352-F1389 HydrophobicContact CD2-CD1 3.41Å; L1352-F1389 VanDerWaalsContact CD2-CD1 3.41Å; L1352-F1389 HydrophobicContact CD2-CE1 3.59Å; L1352-F1389 HydrophobicContact CD2-CG 4.08Å; L1352-F1389 HydrophobicContact CD2-CZ 4.38Å |
| 1353 | H | 59.2 | Low | 50.8 | Low | 115.8 Ų | 115.8 | 84.8 Ų | 84.8 | 54% | 0.536 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 176.2 | -164.2 | -58.2 | 0 | 0 | 0 | 110.8 | L1349 T1350 L1351 Q1355 I1356 S1357 F1389 | L1349-H1353 VanDerWaalsContact O-CB 3.24Å; L1349-H1353 WeakPolarHBondContact O-CB 3.34Å; L1349-H1353 PolarHBondContact O-N 2.91Å; T1350-H1353 CarbonylContact O-C 3.52Å; T1350-H1353 PolarHBondContact O-N 3.06Å; L1351-H1353 VanDerWaalsContact C-N 3.33Å; L1351-H1353 PolarHBondContact O-N 3.09Å; H1353-Q1355 VanDerWaalsContact C-N 3.32Å; H1353-Q1355 PolarHBondContact O-N 3.48Å; H1353-I1356 PolarHBondContact O-N 3.17Å; H1353-I1356 VanDerWaalsContact O-N 3.08Å; H1353-S1357 PolarHBondContact ND1-OG 3.22Å; H1353-S1357 WeakPolarHBondContact O-CA 3.03Å; H1353-S1357 VanDerWaalsContact O-CB 3.28Å; H1353-S1357 WeakPolarHBondContact O-CB 3.35Å; H1353-S1357 PolarHBondContact O-N 2.8Å; H1353-S1357 PolarHBondContact O-OG 3.06Å; H1353-F1389 HydrophobicContact CB-CB 4.16Å; H1353-F1389 HydrophobicContact CB-CD2 3.71Å; H1353-F1389 HydrophobicContact CB-CE2 4.49Å; H1353-F1389 HydrophobicContact CB-CG 4.2Å; H1353-F1389 AromaticContact CG-CD2 3.9Å; H1353-F1389 AromaticContact ND1-CD2 3.44Å; H1353-F1389 WeakPolarHBondContact ND1-CD2 3.46Å; H1353-F1389 AromaticContact ND1-CE2 3.79Å |
| 1354 | R | 57.4 | Low | 50.6 | Low | 94.6 Ų | 94.6 | 86.8 Ų | 86.8 | 36% | 0.357 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 175.7 | -166.2 | -178.6 | 123.4 | 159.9 | 2.9 | 111.8 | T1350 L1351 L1352 I1356 S1357 Q1358 | T1350-R1354 WeakPolarHBondContact O-CB 3.28Å; T1350-R1354 PolarHBondContact O-N 3.21Å; L1351-R1354 CarbonylContact O-C 3.54Å; L1351-R1354 WeakPolarHBondContact O-CA 3.09Å; L1351-R1354 WeakPolarHBondContact O-CB 3.43Å; L1351-R1354 PolarHBondContact O-N 2.94Å; L1351-R1354 VanDerWaalsContact O-N 3.17Å; L1352-R1354 VanDerWaalsContact C-N 3.28Å; L1352-R1354 PolarHBondContact O-N 3.23Å; R1354-I1356 PolarHBondContact O-N 2.93Å; R1354-S1357 WeakPolarHBondContact CA-OG 3.24Å; R1354-S1357 CarbonylContact O-C 3.51Å; R1354-S1357 WeakPolarHBondContact O-CB 3.33Å; R1354-S1357 PolarHBondContact O-N 3.16Å; R1354-S1357 VanDerWaalsContact O-N 3.11Å; R1354-S1357 PolarHBondContact O-OG 3.46Å; R1354-Q1358 HydrophobicContact CG-CG 4.49Å; R1354-Q1358 VanDerWaalsContact O-CB 3.28Å; R1354-Q1358 WeakPolarHBondContact O-CB 3.34Å; R1354-Q1358 WeakPolarHBondContact O-CG 3.35Å; R1354-Q1358 PolarHBondContact O-N 3.3Å |
| 1355 | Q | 57 | Low | 50.3 | Low | 61.6 Ų | 61.6 | 85.2 Ų | 85.2 | 29% | 0.288 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 174.5 | -74.6 | 177.1 | -21.8 | 0 | 0 | 112.1 | R1150 L1351 L1352 H1353 S1357 Q1358 F1359 D1428 | R1150-Q1355 PolarHBondContact NH1-O 3.09Å; R1150-Q1355 PolarHBondContact NH2-O 3.4Å; R1150-Q1355 VanDerWaalsContact NH2-O 3.12Å; L1351-Q1355 WeakPolarHBondContact O-CB 3.48Å; L1351-Q1355 VanDerWaalsContact O-CG 3.24Å; L1351-Q1355 WeakPolarHBondContact O-CG 3.42Å; L1351-Q1355 PolarHBondContact O-N 3.08Å; L1352-Q1355 CarbonylContact O-C 3.6Å; L1352-Q1355 PolarHBondContact O-N 3.25Å; H1353-Q1355 VanDerWaalsContact C-N 3.32Å; H1353-Q1355 PolarHBondContact O-N 3.48Å; Q1355-S1357 VanDerWaalsContact C-N 3.3Å; Q1355-S1357 PolarHBondContact O-N 3.03Å; Q1355-Q1358 WeakPolarHBondContact O-CA 3.48Å; Q1355-Q1358 VanDerWaalsContact O-CB 3.3Å; Q1355-Q1358 WeakPolarHBondContact O-CB 3.35Å; Q1355-Q1358 PolarHBondContact O-N 3.18Å; Q1355-F1359 VanDerWaalsContact O-CB 3.29Å; Q1355-F1359 WeakPolarHBondContact O-CB 3.2Å; Q1355-F1359 VanDerWaalsContact O-CD2 3.26Å; Q1355-F1359 WeakPolarHBondContact O-CD2 3.33Å; Q1355-F1359 PolarHBondContact O-N 3.12Å; Q1355-D1428 PolarHBondContact NE2-O 3.23Å |
| 1356 | I | 57.3 | Low | 49.8 | Very low | 83.6 Ų | 83.6 | 79.4 Ų | 79.4 | 43% | 0.429 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 174.4 | -66.9 | 164.7 | 0 | 0 | 0 | 110.3 | D1311 L1352 H1353 R1354 Q1358 F1359 S1360 I1384 F1389 | D1311-I1356 HydrophobicContact CB-CD1 4.47Å; L1352-I1356 HydrophobicContact CD2-CD1 3.78Å; L1352-I1356 HydrophobicContact CD2-CG1 4.25Å; L1352-I1356 HydrophobicContact CG-CD1 3.93Å; L1352-I1356 VanDerWaalsContact O-CB 3.29Å; L1352-I1356 WeakPolarHBondContact O-CB 3.27Å; L1352-I1356 WeakPolarHBondContact O-CD1 3.42Å; L1352-I1356 VanDerWaalsContact O-CG1 3.24Å; L1352-I1356 WeakPolarHBondContact O-CG1 3.43Å; L1352-I1356 PolarHBondContact O-N 3.32Å; H1353-I1356 PolarHBondContact O-N 3.17Å; H1353-I1356 VanDerWaalsContact O-N 3.08Å; R1354-I1356 PolarHBondContact O-N 2.93Å; I1356-Q1358 VanDerWaalsContact C-N 3.32Å; I1356-Q1358 PolarHBondContact O-N 3.35Å; I1356-F1359 PolarHBondContact O-N 3.19Å; I1356-S1360 WeakPolarHBondContact O-CB 3.38Å; I1356-S1360 PolarHBondContact O-N 3.39Å; I1356-S1360 VanDerWaalsContact O-N 3.11Å; I1356-S1360 PolarHBondContact O-OG 2.98Å; I1356-I1384 HydrophobicContact CG2-CD1 3.75Å; I1356-I1384 HydrophobicContact CG2-CG2 4.07Å; I1356-F1389 HydrophobicContact CD1-CE1 3.82Å; I1356-F1389 HydrophobicContact CD1-CE2 4.01Å; I1356-F1389 HydrophobicContact CD1-CZ 3.42Å; I1356-F1389 VanDerWaalsContact CD1-CZ 3.42Å |
| 1357 | S | 53.2 | Low | 49.2 | Very low | 49.2 Ų | 49.2 | 83 Ų | 83 | 34% | 0.344 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 175 | -43.9 | 0 | 0 | 0 | 0 | 111.4 | H1353 R1354 Q1355 F1359 S1360 A1361 | H1353-S1357 PolarHBondContact ND1-OG 3.22Å; H1353-S1357 WeakPolarHBondContact O-CA 3.03Å; H1353-S1357 VanDerWaalsContact O-CB 3.28Å; H1353-S1357 WeakPolarHBondContact O-CB 3.35Å; H1353-S1357 PolarHBondContact O-N 2.8Å; H1353-S1357 PolarHBondContact O-OG 3.06Å; R1354-S1357 WeakPolarHBondContact CA-OG 3.24Å; R1354-S1357 CarbonylContact O-C 3.51Å; R1354-S1357 WeakPolarHBondContact O-CB 3.33Å; R1354-S1357 PolarHBondContact O-N 3.16Å; R1354-S1357 VanDerWaalsContact O-N 3.11Å; R1354-S1357 PolarHBondContact O-OG 3.46Å; Q1355-S1357 VanDerWaalsContact C-N 3.3Å; Q1355-S1357 PolarHBondContact O-N 3.03Å; S1357-F1359 PolarHBondContact O-N 3.45Å; S1357-S1360 WeakPolarHBondContact CA-OG 3.32Å; S1357-S1360 CarbonylContact O-C 3.58Å; S1357-S1360 VanDerWaalsContact O-CB 3.27Å; S1357-S1360 WeakPolarHBondContact O-CB 3.38Å; S1357-S1360 PolarHBondContact O-N 3.1Å; S1357-S1360 VanDerWaalsContact O-N 3.17Å; S1357-S1360 PolarHBondContact O-OG 3.23Å; S1357-A1361 VanDerWaalsContact O-CA 3.29Å; S1357-A1361 WeakPolarHBondContact O-CA 3.44Å; S1357-A1361 WeakPolarHBondContact O-CB 3.36Å; S1357-A1361 PolarHBondContact O-N 3.07Å; S1357-A1361 VanDerWaalsContact O-N 3.13Å |
| 1358 | Q | 50.5 | Low | 48.6 | Very low | 89.6 Ų | 89.6 | 86.9 Ų | 86.9 | 42% | 0.419 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 174.6 | -70.7 | -178.4 | -26.7 | 0 | 0 | 111.8 | R1354 Q1355 I1356 S1360 A1361 D1362 R1369 | R1354-Q1358 HydrophobicContact CG-CG 4.49Å; R1354-Q1358 VanDerWaalsContact O-CB 3.28Å; R1354-Q1358 WeakPolarHBondContact O-CB 3.34Å; R1354-Q1358 WeakPolarHBondContact O-CG 3.35Å; R1354-Q1358 PolarHBondContact O-N 3.3Å; Q1355-Q1358 WeakPolarHBondContact O-CA 3.48Å; Q1355-Q1358 VanDerWaalsContact O-CB 3.3Å; Q1355-Q1358 WeakPolarHBondContact O-CB 3.35Å; Q1355-Q1358 PolarHBondContact O-N 3.18Å; I1356-Q1358 VanDerWaalsContact C-N 3.32Å; I1356-Q1358 PolarHBondContact O-N 3.35Å; Q1358-S1360 VanDerWaalsContact C-N 3.31Å; Q1358-S1360 PolarHBondContact O-N 2.93Å; Q1358-A1361 PolarHBondContact O-N 3.28Å; Q1358-A1361 VanDerWaalsContact O-N 3.15Å; Q1358-D1362 PolarHBondContact O-N 3.37Å; Q1358-D1362 VanDerWaalsContact O-N 3.14Å; Q1358-R1369 VanDerWaalsContact OE1-NH1 3.13Å |
| 1359 | F | 47.5 | Very low | 47.7 | Very low | 147.8 Ų | 147.8 | 88.9 Ų | 88.9 | 65% | 0.648 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.7 | -31.6 | 174.9 | -101.9 | -82.8 | 0 | 0 | 0 | 113.4 | T1316 F1319 Q1355 I1356 S1357 A1361 T1363 | T1316-F1359 HydrophobicContact CG2-CE1 3.94Å; T1316-F1359 HydrophobicContact CG2-CZ 4.01Å; T1316-F1359 WeakPolarHBondContact OG1-CE1 3.35Å; F1319-F1359 HydrophobicContact CD1-CZ 4.33Å; Q1355-F1359 VanDerWaalsContact O-CB 3.29Å; Q1355-F1359 WeakPolarHBondContact O-CB 3.2Å; Q1355-F1359 VanDerWaalsContact O-CD2 3.26Å; Q1355-F1359 WeakPolarHBondContact O-CD2 3.33Å; Q1355-F1359 PolarHBondContact O-N 3.12Å; I1356-F1359 PolarHBondContact O-N 3.19Å; S1357-F1359 PolarHBondContact O-N 3.45Å; F1359-A1361 VanDerWaalsContact C-N 3.32Å; F1359-T1363 HydrophobicContact CD1-CG2 3.69Å; F1359-T1363 HydrophobicContact CD2-CG2 4.43Å; F1359-T1363 HydrophobicContact CE1-CG2 3.34Å; F1359-T1363 HydrophobicContact CE2-CG2 4.14Å; F1359-T1363 HydrophobicContact CG-CG2 4.23Å; F1359-T1363 HydrophobicContact CZ-CG2 3.59Å; F1359-T1363 WeakPolarHBondContact O-CB 3.49Å; F1359-T1363 WeakPolarHBondContact O-CG2 3.39Å; F1359-T1363 PolarHBondContact O-N 2.88Å; F1359-T1363 PolarHBondContact O-OG1 3.01Å |
| 1360 | S | 44.1 | Very low | 46.9 | Very low | 62.6 Ų | 62.6 | 85.2 Ų | 85.2 | 44% | 0.438 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -79.5 | -25.8 | 176.4 | 80.2 | 0 | 0 | 0 | 0 | 113.4 | I1356 S1357 Q1358 D1362 T1363 V1364 C1381 | I1356-S1360 WeakPolarHBondContact O-CB 3.38Å; I1356-S1360 PolarHBondContact O-N 3.39Å; I1356-S1360 VanDerWaalsContact O-N 3.11Å; I1356-S1360 PolarHBondContact O-OG 2.98Å; S1357-S1360 WeakPolarHBondContact CA-OG 3.32Å; S1357-S1360 CarbonylContact O-C 3.58Å; S1357-S1360 VanDerWaalsContact O-CB 3.27Å; S1357-S1360 WeakPolarHBondContact O-CB 3.38Å; S1357-S1360 PolarHBondContact O-N 3.1Å; S1357-S1360 VanDerWaalsContact O-N 3.17Å; S1357-S1360 PolarHBondContact O-OG 3.23Å; Q1358-S1360 VanDerWaalsContact C-N 3.31Å; Q1358-S1360 PolarHBondContact O-N 2.93Å; S1360-D1362 VanDerWaalsContact C-N 3.31Å; S1360-D1362 PolarHBondContact O-N 3.13Å; S1360-T1363 PolarHBondContact O-N 2.95Å; S1360-T1363 PolarHBondContact O-OG1 3.34Å; S1360-V1364 WeakPolarHBondContact O-CG2 3.5Å; S1360-V1364 PolarHBondContact O-N 3.09Å; S1360-C1381 WeakPolarHBondContact CB-SG 3.49Å; S1360-C1381 WeakPolarHBondContact OG-CB 3.4Å; S1360-C1381 PolarHBondContact OG-SG 2.84Å |
| 1361 | A | 43.2 | Very low | 46 | Very low | 37.6 Ų | 37.6 | 86.4 Ų | 86.4 | 31% | 0.311 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74.8 | -21.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1357 Q1358 F1359 T1363 V1364 S1365 | S1357-A1361 VanDerWaalsContact O-CA 3.29Å; S1357-A1361 WeakPolarHBondContact O-CA 3.44Å; S1357-A1361 WeakPolarHBondContact O-CB 3.36Å; S1357-A1361 PolarHBondContact O-N 3.07Å; S1357-A1361 VanDerWaalsContact O-N 3.13Å; Q1358-A1361 PolarHBondContact O-N 3.28Å; Q1358-A1361 VanDerWaalsContact O-N 3.15Å; F1359-A1361 VanDerWaalsContact C-N 3.32Å; A1361-T1363 PolarHBondContact O-N 2.96Å; A1361-T1363 VanDerWaalsContact O-N 3.12Å; A1361-V1364 PolarHBondContact O-N 2.88Å; A1361-S1365 WeakPolarHBondContact CB-OG 3.35Å; A1361-S1365 WeakPolarHBondContact O-CB 3.14Å; A1361-S1365 PolarHBondContact O-N 3.32Å; A1361-S1365 PolarHBondContact O-OG 2.98Å |
| 1362 | D | 43.5 | Very low | 45.3 | Very low | 120.4 Ų | 120.4 | 88.9 Ų | 88.9 | 64% | 0.644 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.4 | 179.9 | -83.4 | -22.1 | 0 | 0 | 0 | 113.5 | Q1358 S1360 S1365 S1366 R1394 | Q1358-D1362 PolarHBondContact O-N 3.37Å; Q1358-D1362 VanDerWaalsContact O-N 3.14Å; S1360-D1362 VanDerWaalsContact C-N 3.31Å; S1360-D1362 PolarHBondContact O-N 3.13Å; D1362-S1365 PolarHBondContact O-N 3.26Å; D1362-S1365 PolarHBondContact O-OG 3.5Å; D1362-S1366 WeakPolarHBondContact O-CB 3.46Å; D1362-S1366 PolarHBondContact O-N 3.2Å; D1362-S1366 VanDerWaalsContact O-N 3.14Å; D1362-S1366 PolarHBondContact O-OG 3.36Å; D1362-R1394 IonicContact OD1-CZ 2.69Å; D1362-R1394 IonicContact OD1-NH1 2.81Å; D1362-R1394 PolarHBondContact OD1-NH1 3.01Å; D1362-R1394 IonicContact OD1-NH2 3.48Å |
| 1363 | T | 42.3 | Very low | 44.6 | Very low | 98.6 Ų | 98.6 | 86.2 Ų | 86.2 | 61% | 0.605 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -19.7 | 177.6 | 38.8 | 0 | 0 | 0 | 0 | 115 | F1359 S1360 A1361 S1365 S1366 F1367 | F1359-T1363 HydrophobicContact CD1-CG2 3.69Å; F1359-T1363 HydrophobicContact CD2-CG2 4.43Å; F1359-T1363 HydrophobicContact CE1-CG2 3.34Å; F1359-T1363 HydrophobicContact CE2-CG2 4.14Å; F1359-T1363 HydrophobicContact CG-CG2 4.23Å; F1359-T1363 HydrophobicContact CZ-CG2 3.59Å; F1359-T1363 WeakPolarHBondContact O-CB 3.49Å; F1359-T1363 WeakPolarHBondContact O-CG2 3.39Å; F1359-T1363 PolarHBondContact O-N 2.88Å; F1359-T1363 PolarHBondContact O-OG1 3.01Å; S1360-T1363 PolarHBondContact O-N 2.95Å; S1360-T1363 PolarHBondContact O-OG1 3.34Å; A1361-T1363 PolarHBondContact O-N 2.96Å; A1361-T1363 VanDerWaalsContact O-N 3.12Å; T1363-S1365 VanDerWaalsContact C-N 3.25Å; T1363-S1365 PolarHBondContact O-N 3.25Å; T1363-S1366 CarbonylContact O-C 3.45Å; T1363-S1366 PolarHBondContact O-N 3.25Å; T1363-F1367 HydrophobicContact CG2-CD2 4.2Å; T1363-F1367 HydrophobicContact CG2-CE2 3.87Å; T1363-F1367 WeakPolarHBondContact O-CB 3.27Å; T1363-F1367 WeakPolarHBondContact O-CD2 3Å; T1363-F1367 PolarHBondContact O-N 3.5Å |
| 1364 | V | 39 | Very low | 43.7 | Very low | 104.4 Ų | 104.4 | 83.9 Ų | 83.9 | 63% | 0.633 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | -21.7 | -176.4 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | S1360 A1361 S1366 F1367 | S1360-V1364 WeakPolarHBondContact O-CG2 3.5Å; S1360-V1364 PolarHBondContact O-N 3.09Å; A1361-V1364 PolarHBondContact O-N 2.88Å; V1364-S1366 VanDerWaalsContact C-N 3.32Å; V1364-S1366 PolarHBondContact O-N 3.23Å; V1364-F1367 PolarHBondContact O-N 3.02Å |
| 1365 | S | 38.7 | Very low | 42.8 | Very low | 52 Ų | 52 | 83.9 Ų | 83.9 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -5.3 | 176.2 | 74.6 | 0 | 0 | 0 | 0 | 114.6 | A1361 D1362 T1363 F1367 E1368 R1369 | A1361-S1365 WeakPolarHBondContact CB-OG 3.35Å; A1361-S1365 WeakPolarHBondContact O-CB 3.14Å; A1361-S1365 PolarHBondContact O-N 3.32Å; A1361-S1365 PolarHBondContact O-OG 2.98Å; D1362-S1365 PolarHBondContact O-N 3.26Å; D1362-S1365 PolarHBondContact O-OG 3.5Å; T1363-S1365 VanDerWaalsContact C-N 3.25Å; T1363-S1365 PolarHBondContact O-N 3.25Å; S1365-F1367 PolarHBondContact O-N 3.12Å; S1365-F1367 VanDerWaalsContact O-N 3.11Å; S1365-E1368 PolarHBondContact O-N 3.27Å; S1365-R1369 PolarHBondContact O-N 2.76Å |
| 1366 | S | 38.6 | Very low | 42 | Very low | 52.6 Ų | 52.6 | 83 Ų | 83 | 37% | 0.368 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67 | -19.4 | 176.1 | -12.3 | 0 | 0 | 0 | 0 | 113 | D1362 T1363 V1364 E1368 R1369 G1370 R1394 | D1362-S1366 WeakPolarHBondContact O-CB 3.46Å; D1362-S1366 PolarHBondContact O-N 3.2Å; D1362-S1366 VanDerWaalsContact O-N 3.14Å; D1362-S1366 PolarHBondContact O-OG 3.36Å; T1363-S1366 CarbonylContact O-C 3.45Å; T1363-S1366 PolarHBondContact O-N 3.25Å; V1364-S1366 VanDerWaalsContact C-N 3.32Å; V1364-S1366 PolarHBondContact O-N 3.23Å; S1366-E1368 VanDerWaalsContact C-N 3.34Å; S1366-E1368 PolarHBondContact O-N 3.25Å; S1366-R1369 VanDerWaalsContact O-CB 3.26Å; S1366-R1369 WeakPolarHBondContact O-CB 3.44Å; S1366-R1369 WeakPolarHBondContact O-CG 3.49Å; S1366-R1369 PolarHBondContact O-N 2.86Å; S1366-G1370 WeakPolarHBondContact O-CA 3.47Å; S1366-G1370 PolarHBondContact O-N 3.11Å; S1366-G1370 VanDerWaalsContact O-N 3.13Å; S1366-R1394 PolarHBondContact OG-NH2 3.36Å |
| 1367 | F | 36.5 | Very low | 41.2 | Very low | 145.2 Ų | 145.2 | 87.8 Ų | 87.8 | 64% | 0.637 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -85.4 | -25.4 | -176.7 | -104.9 | -92.3 | 0 | 0 | 0 | 114.2 | F1319 T1363 V1364 S1365 R1369 G1370 I1371 | F1319-F1367 AromaticContact CD2-CE2 3.85Å; F1319-F1367 HydrophobicContact CD2-CE2 3.85Å; F1319-F1367 HydrophobicContact CD2-CZ 4.36Å; F1319-F1367 HydrophobicContact CE2-CE2 4.46Å; T1363-F1367 HydrophobicContact CG2-CD2 4.2Å; T1363-F1367 HydrophobicContact CG2-CE2 3.87Å; T1363-F1367 WeakPolarHBondContact O-CB 3.27Å; T1363-F1367 WeakPolarHBondContact O-CD2 3Å; T1363-F1367 PolarHBondContact O-N 3.5Å; V1364-F1367 PolarHBondContact O-N 3.02Å; S1365-F1367 PolarHBondContact O-N 3.12Å; S1365-F1367 VanDerWaalsContact O-N 3.11Å; F1367-R1369 PolarHBondContact O-N 2.91Å; F1367-G1370 PolarHBondContact O-N 2.97Å; F1367-I1371 WeakPolarHBondContact CD1-O 3.48Å; F1367-I1371 HydrophobicContact CE1-CG2 4.45Å; F1367-I1371 WeakPolarHBondContact O-CD1 3.2Å; F1367-I1371 VanDerWaalsContact O-CG1 3.32Å; F1367-I1371 WeakPolarHBondContact O-CG1 3.41Å; F1367-I1371 PolarHBondContact O-N 3.19Å |
| 1368 | E | 36.9 | Very low | 40.7 | Very low | 154.6 Ų | 154.6 | 91.6 Ų | 91.6 | 72% | 0.722 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -86.5 | -28.5 | 178 | -76.2 | -170.6 | 164.5 | 0 | 0 | 114 | S1365 S1366 G1370 I1371 | S1365-E1368 PolarHBondContact O-N 3.27Å; S1366-E1368 VanDerWaalsContact C-N 3.34Å; S1366-E1368 PolarHBondContact O-N 3.25Å; E1368-G1370 VanDerWaalsContact C-N 3.3Å; E1368-G1370 PolarHBondContact O-N 3.04Å; E1368-G1370 VanDerWaalsContact O-N 3.1Å; E1368-I1371 PolarHBondContact O-N 3Å |
| 1369 | R | 36 | Very low | 40.4 | Very low | 130.8 Ų | 130.8 | 91.8 Ų | 91.8 | 49% | 0.494 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.1 | 0.7 | 168.5 | -69.2 | -170.3 | -160.2 | -173.5 | 6.7 | 111.3 | Q1358 S1365 S1366 F1367 I1371 V1372 L1373 V1390 E1397 | Q1358-R1369 VanDerWaalsContact OE1-NH1 3.13Å; S1365-R1369 PolarHBondContact O-N 2.76Å; S1366-R1369 VanDerWaalsContact O-CB 3.26Å; S1366-R1369 WeakPolarHBondContact O-CB 3.44Å; S1366-R1369 WeakPolarHBondContact O-CG 3.49Å; S1366-R1369 PolarHBondContact O-N 2.86Å; F1367-R1369 PolarHBondContact O-N 2.91Å; R1369-I1371 VanDerWaalsContact C-N 3.26Å; R1369-I1371 WeakPolarHBondContact O-CG1 3.33Å; R1369-I1371 PolarHBondContact O-N 3.31Å; R1369-V1372 PolarHBondContact O-N 3.27Å; R1369-L1373 PolarHBondContact O-N 3.17Å; R1369-V1390 HydrophobicContact CB-CG1 4.26Å; R1369-E1397 IonicContact NH1-OE2 2.8Å |
| 1370 | G | 35.5 | Very low | 40.6 | Very low | 30 Ų | 30 | 87 Ų | 87 | 31% | 0.309 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -48.9 | -1.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1366 F1367 E1368 V1372 L1373 S1374 | S1366-G1370 WeakPolarHBondContact O-CA 3.47Å; S1366-G1370 PolarHBondContact O-N 3.11Å; S1366-G1370 VanDerWaalsContact O-N 3.13Å; F1367-G1370 PolarHBondContact O-N 2.97Å; E1368-G1370 VanDerWaalsContact C-N 3.3Å; E1368-G1370 PolarHBondContact O-N 3.04Å; E1368-G1370 VanDerWaalsContact O-N 3.1Å; G1370-V1372 PolarHBondContact O-N 3.08Å; G1370-L1373 PolarHBondContact O-N 3.14Å; G1370-S1374 WeakPolarHBondContact O-CA 3.42Å; G1370-S1374 WeakPolarHBondContact O-CB 3.34Å; G1370-S1374 PolarHBondContact O-N 3.1Å; G1370-S1374 PolarHBondContact O-OG 3.1Å |
| 1371 | I | 38.8 | Very low | 41 | Very low | 75.8 Ų | 75.8 | 85.6 Ų | 85.6 | 39% | 0.389 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -80.2 | 2.7 | -178.9 | -61.2 | 167.4 | 0 | 0 | 0 | 110.2 | F1367 E1368 R1369 L1373 S1374 V1375 V1390 | F1367-I1371 WeakPolarHBondContact CD1-O 3.48Å; F1367-I1371 HydrophobicContact CE1-CG2 4.45Å; F1367-I1371 WeakPolarHBondContact O-CD1 3.2Å; F1367-I1371 VanDerWaalsContact O-CG1 3.32Å; F1367-I1371 WeakPolarHBondContact O-CG1 3.41Å; F1367-I1371 PolarHBondContact O-N 3.19Å; E1368-I1371 PolarHBondContact O-N 3Å; R1369-I1371 VanDerWaalsContact C-N 3.26Å; R1369-I1371 WeakPolarHBondContact O-CG1 3.33Å; R1369-I1371 PolarHBondContact O-N 3.31Å; I1371-L1373 VanDerWaalsContact C-N 3.32Å; I1371-L1373 HydrophobicContact CG2-CB 4.22Å; I1371-L1373 HydrophobicContact CG2-CD1 3.95Å; I1371-L1373 HydrophobicContact CG2-CG 4.07Å; I1371-L1373 PolarHBondContact O-N 3.17Å; I1371-S1374 PolarHBondContact O-OG 3.17Å; I1371-V1375 HydrophobicContact CG2-CG2 3.79Å; I1371-V1375 VanDerWaalsContact O-CB 3.28Å; I1371-V1375 WeakPolarHBondContact O-CB 3.33Å; I1371-V1375 WeakPolarHBondContact O-CG2 3.29Å; I1371-V1375 PolarHBondContact O-N 3.05Å; I1371-V1390 HydrophobicContact CG2-CG1 3.97Å; I1371-V1390 HydrophobicContact CG2-CG2 4.17Å |
| 1372 | V | 40.6 | Very low | 41 | Very low | 90.6 Ų | 90.6 | 91.1 Ų | 91.1 | 55% | 0.549 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -77.1 | -3.7 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | R1150 A1334 R1369 G1370 V1375 | R1150-V1372 PolarHBondContact NH2-O 3.32Å; A1334-V1372 HydrophobicContact CB-CG1 3.93Å; R1369-V1372 PolarHBondContact O-N 3.27Å; G1370-V1372 PolarHBondContact O-N 3.08Å; V1372-V1375 HydrophobicContact CG1-CG2 4.5Å |
| 1373 | L | 41.4 | Very low | 41.1 | Very low | 13.2 Ų | 13.2 | 88.2 Ų | 88.2 | 7% | 0.069 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -96.2 | -13.9 | 177 | -70.8 | 176.9 | 0 | 0 | 0 | 113.6 | L814 H817 R1150 I1152 L1318 E1336 R1369 G1370 I1371 V1375 F1389 V1390 | L814-L1373 HydrophobicContact CD1-CB 4.12Å; L814-L1373 HydrophobicContact CD1-CD1 4.25Å; L814-L1373 HydrophobicContact CD1-CD2 3.63Å; L814-L1373 HydrophobicContact CD1-CG 4.21Å; H817-L1373 HydrophobicContact CB-CD2 4.37Å; H817-L1373 WeakPolarHBondContact ND1-CD2 3.33Å; R1150-L1373 PolarHBondContact NH1-O 3.17Å; I1152-L1373 HydrophobicContact CD1-CD2 3.61Å; I1152-L1373 HydrophobicContact CG1-CD2 4.45Å; I1152-L1373 HydrophobicContact CG2-CD2 4.16Å; L1318-L1373 HydrophobicContact CD2-CD1 4.05Å; E1336-L1373 HydrophobicContact CG-CD2 4.19Å; E1336-L1373 VanDerWaalsContact OE1-CD1 3.31Å; E1336-L1373 WeakPolarHBondContact OE1-CD1 3.41Å; E1336-L1373 WeakPolarHBondContact OE1-CD2 3.34Å; E1336-L1373 WeakPolarHBondContact OE1-CG 3.29Å; R1369-L1373 PolarHBondContact O-N 3.17Å; G1370-L1373 PolarHBondContact O-N 3.14Å; I1371-L1373 VanDerWaalsContact C-N 3.32Å; I1371-L1373 HydrophobicContact CG2-CB 4.22Å; I1371-L1373 HydrophobicContact CG2-CD1 3.95Å; I1371-L1373 HydrophobicContact CG2-CG 4.07Å; I1371-L1373 PolarHBondContact O-N 3.17Å; L1373-V1375 PolarHBondContact O-N 3.16Å; L1373-F1389 HydrophobicContact CB-CD1 4.11Å; L1373-F1389 HydrophobicContact CD1-CD1 3.91Å; L1373-F1389 HydrophobicContact CD1-CE1 4.22Å; L1373-F1389 HydrophobicContact CD2-CD1 3.59Å; L1373-F1389 HydrophobicContact CD2-CE1 3.72Å; L1373-F1389 VanDerWaalsContact CD2-CE1 3.49Å; L1373-F1389 HydrophobicContact CD2-CG 4.38Å; L1373-F1389 HydrophobicContact CG-CD1 4.17Å; L1373-F1389 HydrophobicContact CG-CE1 4.37Å; L1373-V1390 HydrophobicContact CB-CG2 3.71Å; L1373-V1390 HydrophobicContact CD1-CB 4.2Å; L1373-V1390 HydrophobicContact CD1-CG1 4.37Å; L1373-V1390 HydrophobicContact CD1-CG2 3.84Å; L1373-V1390 HydrophobicContact CG-CG2 4.41Å |
| 1374 | S | 40 | Very low | 41.3 | Very low | 67.8 Ų | 67.8 | 86.2 Ų | 86.2 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -89 | 10.9 | 177.2 | -39.1 | 0 | 0 | 0 | 0 | 113.5 | G1370 I1371 G1376 E1377 | G1370-S1374 WeakPolarHBondContact O-CA 3.42Å; G1370-S1374 WeakPolarHBondContact O-CB 3.34Å; G1370-S1374 PolarHBondContact O-N 3.1Å; G1370-S1374 PolarHBondContact O-OG 3.1Å; I1371-S1374 PolarHBondContact O-OG 3.17Å; S1374-G1376 VanDerWaalsContact C-N 3.27Å; S1374-G1376 WeakPolarHBondContact CB-O 3.38Å; S1374-G1376 PolarHBondContact O-N 3.11Å; S1374-E1377 PolarHBondContact O-N 3.34Å |
| 1375 | V | 38 | Very low | 41.8 | Very low | 93.2 Ų | 93.2 | 90.4 Ų | 90.4 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -76.6 | 89.9 | 169.6 | 176.2 | 0 | 0 | 0 | 0 | 108.3 | I1371 V1372 L1373 | I1371-V1375 HydrophobicContact CG2-CG2 3.79Å; I1371-V1375 VanDerWaalsContact O-CB 3.28Å; I1371-V1375 WeakPolarHBondContact O-CB 3.33Å; I1371-V1375 WeakPolarHBondContact O-CG2 3.29Å; I1371-V1375 PolarHBondContact O-N 3.05Å; V1372-V1375 HydrophobicContact CG1-CG2 4.5Å; L1373-V1375 PolarHBondContact O-N 3.16Å |
| 1376 | G | 40.9 | Very low | 42.4 | Very low | 43.6 Ų | 43.6 | 95.3 Ų | 95.3 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | trans | 138.1 | 68.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1374 E1378 | S1374-G1376 VanDerWaalsContact C-N 3.27Å; S1374-G1376 WeakPolarHBondContact CB-O 3.38Å; S1374-G1376 PolarHBondContact O-N 3.11Å; G1376-E1378 VanDerWaalsContact C-N 3.31Å; G1376-E1378 PolarHBondContact O-N 3.14Å | ||
| 1377 | E | 39.5 | Very low | 43.3 | Very low | 183.2 Ų | 183.2 | 95.4 Ų | 95.4 | 86% | 0.856 | 52% | 0.521 | S | S | * | . | trans | -70.5 | 52.3 | 164.5 | -68.3 | -178.2 | 165.5 | 0 | 0 | 110.3 | S1374 P1379 | S1374-E1377 PolarHBondContact O-N 3.34Å; E1377-P1379 WeakPolarHBondContact O-CD 3.27Å | ||
| 1378 | E | 43 | Very low | 44.6 | Very low | 130.6 Ų | 130.6 | 91.9 Ų | 91.9 | 61% | 0.61 | 51% | 0.51 | S | S | * | . | trans | -77.5 | 124.7 | 164.2 | -77.7 | -170.3 | 168 | 0 | 0 | 108.2 | T1316 L1332 G1376 C1380 | T1316-E1378 WeakPolarHBondContact CB-OE2 3.39Å; T1316-E1378 WeakPolarHBondContact CG2-OE2 3.38Å; T1316-E1378 PolarHBondContact OG1-OE2 3.06Å; L1332-E1378 WeakPolarHBondContact CD1-OE1 2.97Å; G1376-E1378 VanDerWaalsContact C-N 3.31Å; G1376-E1378 PolarHBondContact O-N 3.14Å; E1378-C1380 PolarHBondContact O-N 3.03Å; E1378-C1380 VanDerWaalsContact O-N 3.12Å | ||
| 1379 | P | 45.6 | Very low | 46.1 | Very low | 92.6 Ų | 92.6 | 85.4 Ų | 85.4 | 60% | 0.601 | 48% | 0.479 | S | S | * | . | trans | -64.2 | 86.4 | -179.1 | 19.1 | -23.5 | 0 | 0 | 0 | 111.3 | E1377 C1381 D1382 I1384 | E1377-P1379 WeakPolarHBondContact O-CD 3.27Å; P1379-C1381 PolarHBondContact O-N 3.17Å; P1379-C1381 VanDerWaalsContact O-N 3.07Å; P1379-D1382 WeakPolarHBondContact CB-OD1 3.36Å; P1379-D1382 WeakPolarHBondContact CD-OD2 3.37Å; P1379-D1382 WeakPolarHBondContact CG-OD1 3.11Å; P1379-I1384 HydrophobicContact CB-CB 3.89Å; P1379-I1384 HydrophobicContact CB-CD1 3.86Å; P1379-I1384 HydrophobicContact CB-CG1 4.31Å | ||
| 1380 | C | 50.1 | Low | 47.7 | Very low | 47.8 Ų | 47.8 | 80 Ų | 80 | 32% | 0.323 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -12.7 | -174.6 | 17.8 | 0 | 0 | 0 | 0 | 113.6 | H1261 E1315 T1316 E1378 | H1261-C1380 VanDerWaalsContact CE1-SG 3.57Å; E1315-C1380 HydrophobicContact CB-CB 4.21Å; T1316-C1380 HydrophobicContact CG2-CB 4.32Å; T1316-C1380 VanDerWaalsContact OG1-CB 3.24Å; T1316-C1380 WeakPolarHBondContact OG1-CB 3.29Å; T1316-C1380 PolarHBondContact OG1-SG 3.21Å; T1316-C1380 VanDerWaalsContact OG1-SG 3.39Å; E1378-C1380 PolarHBondContact O-N 3.03Å; E1378-C1380 VanDerWaalsContact O-N 3.12Å |
| 1381 | C | 52.3 | Low | 49.5 | Very low | 32 Ų | 32 | 83.8 Ų | 83.8 | 22% | 0.216 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -142.6 | 78.3 | -176 | -18.6 | 0 | 0 | 0 | 0 | 112.3 | H1261 E1315 S1360 P1379 G1383 I1384 | H1261-C1381 PolarHBondContact NE2-SG 2.93Å; E1315-C1381 HydrophobicContact CB-CB 4.08Å; E1315-C1381 HydrophobicContact CG-CB 4.35Å; S1360-C1381 WeakPolarHBondContact CB-SG 3.49Å; S1360-C1381 WeakPolarHBondContact OG-CB 3.4Å; S1360-C1381 PolarHBondContact OG-SG 2.84Å; P1379-C1381 PolarHBondContact O-N 3.17Å; P1379-C1381 VanDerWaalsContact O-N 3.07Å; C1381-G1383 PolarHBondContact O-N 3.25Å; C1381-G1383 VanDerWaalsContact O-N 3.15Å; C1381-I1384 HydrophobicContact CB-CD1 3.81Å; C1381-I1384 HydrophobicContact CB-CG1 4.35Å; C1381-I1384 WeakPolarHBondContact O-CB 3.28Å; C1381-I1384 PolarHBondContact O-N 2.89Å |
| 1382 | D | 44.8 | Very low | 51.5 | Low | 153.8 Ų | 153.8 | 80.4 Ų | 80.4 | 82% | 0.822 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 4.3 | 179.4 | -71.3 | -19.8 | 0 | 0 | 0 | 114.4 | P1379 | P1379-D1382 WeakPolarHBondContact CB-OD1 3.36Å; P1379-D1382 WeakPolarHBondContact CD-OD2 3.37Å; P1379-D1382 WeakPolarHBondContact CG-OD1 3.11Å |
| 1383 | G | 44.2 | Very low | 53.3 | Low | 58.8 Ų | 58.8 | 76.3 Ų | 76.3 | 61% | 0.606 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | 11.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | C1381 | C1381-G1383 PolarHBondContact O-N 3.25Å; C1381-G1383 VanDerWaalsContact O-N 3.15Å |
| 1384 | I | 47.1 | Very low | 55.2 | Low | 57.8 Ų | 57.8 | 80.5 Ų | 80.5 | 30% | 0.296 | 44% | 0.443 | S | S | . | . | trans | -114.3 | 58 | 178.1 | -53.5 | 174.6 | 0 | 0 | 0 | 110.6 | H1261 I1356 P1379 C1381 D1386 F1387 F1389 | H1261-I1384 VanDerWaalsContact CD2-CD1 3.44Å; H1261-I1384 WeakPolarHBondContact CD2-CD1 3.3Å; H1261-I1384 VanDerWaalsContact NE2-CD1 3.27Å; H1261-I1384 WeakPolarHBondContact NE2-CD1 3.45Å; H1261-I1384 VanDerWaalsContact NE2-CG1 3.31Å; H1261-I1384 WeakPolarHBondContact NE2-CG1 3.26Å; I1356-I1384 HydrophobicContact CG2-CD1 3.75Å; I1356-I1384 HydrophobicContact CG2-CG2 4.07Å; P1379-I1384 HydrophobicContact CB-CB 3.89Å; P1379-I1384 HydrophobicContact CB-CD1 3.86Å; P1379-I1384 HydrophobicContact CB-CG1 4.31Å; C1381-I1384 HydrophobicContact CB-CD1 3.81Å; C1381-I1384 HydrophobicContact CB-CG1 4.35Å; C1381-I1384 WeakPolarHBondContact O-CB 3.28Å; C1381-I1384 PolarHBondContact O-N 2.89Å; I1384-D1386 HydrophobicContact CG2-CB 4.01Å; I1384-D1386 PolarHBondContact O-N 3.05Å; I1384-D1386 VanDerWaalsContact O-N 3.09Å; I1384-F1387 HydrophobicContact CG2-CB 3.65Å; I1384-F1387 VanDerWaalsContact CG2-CB 3.47Å; I1384-F1387 PolarHBondContact O-N 3.14Å; I1384-F1389 HydrophobicContact CG2-CE2 4.09Å | ||
| 1385 | E | 49.3 | Very low | 57.3 | Low | 193.2 Ų | 193.2 | 80.1 Ų | 80.1 | 90% | 0.903 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.3 | 173.5 | -65.8 | -170.6 | 156.3 | 0 | 0 | 112.9 | ||
| 1386 | D | 50.6 | Low | 59.6 | Low | 153.4 Ų | 153.4 | 75.8 Ų | 75.8 | 82% | 0.82 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -12 | -170.5 | -70.5 | -29 | 0 | 0 | 0 | 116.2 | I1384 N1388 | I1384-D1386 HydrophobicContact CG2-CB 4.01Å; I1384-D1386 PolarHBondContact O-N 3.05Å; I1384-D1386 VanDerWaalsContact O-N 3.09Å; D1386-N1388 PolarHBondContact O-N 2.83Å |
| 1387 | F | 57.8 | Low | 61.7 | Low | 54.4 Ų | 54.4 | 77.1 Ų | 77.1 | 24% | 0.239 | 40% | 0.403 | C | S | . | . | trans | -105.1 | 106.9 | -175.6 | -172 | -108.1 | 0 | 0 | 0 | 113.8 | I1257 M1263 I1384 F1389 Y1392 | I1257-F1387 HydrophobicContact CB-CD2 4.35Å; I1257-F1387 HydrophobicContact CB-CE2 4.29Å; I1257-F1387 HydrophobicContact CB-CG 4.4Å; I1257-F1387 HydrophobicContact CB-CZ 4.42Å; I1257-F1387 HydrophobicContact CD1-CD1 3.74Å; I1257-F1387 HydrophobicContact CD1-CD2 4.23Å; I1257-F1387 HydrophobicContact CD1-CE1 3.89Å; I1257-F1387 VanDerWaalsContact CD1-CE1 3.45Å; I1257-F1387 HydrophobicContact CD1-CE2 3.63Å; I1257-F1387 HydrophobicContact CD1-CG 4.31Å; I1257-F1387 HydrophobicContact CD1-CZ 3.39Å; I1257-F1387 HydrophobicContact CG1-CD1 4.07Å; I1257-F1387 HydrophobicContact CG1-CD2 3.96Å; I1257-F1387 HydrophobicContact CG1-CE1 3.89Å; I1257-F1387 HydrophobicContact CG1-CE2 4.01Å; I1257-F1387 VanDerWaalsContact CG1-CE2 3.49Å; I1257-F1387 HydrophobicContact CG1-CG 4.15Å; I1257-F1387 HydrophobicContact CG1-CZ 4.02Å; I1257-F1387 HydrophobicContact CG2-CB 3.86Å; I1257-F1387 HydrophobicContact CG2-CD1 3.88Å; I1257-F1387 HydrophobicContact CG2-CD2 3.39Å; I1257-F1387 HydrophobicContact CG2-CE1 4.14Å; I1257-F1387 HydrophobicContact CG2-CE2 3.57Å; I1257-F1387 HydrophobicContact CG2-CG 3.36Å; I1257-F1387 HydrophobicContact CG2-CZ 3.9Å; M1263-F1387 HydrophobicContact CE-CD1 4.42Å; M1263-F1387 HydrophobicContact CE-CE1 3.83Å; M1263-F1387 HydrophobicContact CE-CZ 4.04Å; M1263-F1387 HydrophobicContact CG-CE1 4.33Å; M1263-F1387 HydrophobicContact CG-CZ 4.15Å; M1263-F1387 HydrophobicContact SD-CE1 4.32Å; I1384-F1387 HydrophobicContact CG2-CB 3.65Å; I1384-F1387 VanDerWaalsContact CG2-CB 3.47Å; I1384-F1387 PolarHBondContact O-N 3.14Å; F1387-F1389 HydrophobicContact CD1-CD1 4.14Å; F1387-F1389 AromaticContact CD1-CD2 3.83Å; F1387-F1389 HydrophobicContact CD1-CD2 4.06Å; F1387-F1389 HydrophobicContact CD1-CE1 4.07Å; F1387-F1389 AromaticContact CD1-CE2 3.76Å; F1387-F1389 HydrophobicContact CD1-CE2 4.04Å; F1387-F1389 HydrophobicContact CD1-CG 4.03Å; F1387-F1389 AromaticContact CD1-CZ 3.88Å; F1387-F1389 HydrophobicContact CD1-CZ 3.88Å; F1387-F1389 HydrophobicContact CE1-CB 4.27Å; F1387-F1389 AromaticContact CE1-CD1 3.91Å; F1387-F1389 HydrophobicContact CE1-CD1 4.08Å; F1387-F1389 HydrophobicContact CE1-CD2 4.3Å; F1387-F1389 HydrophobicContact CE1-CE1 4.22Å; F1387-F1389 HydrophobicContact CE1-CE2 4.42Å; F1387-F1389 HydrophobicContact CE1-CG 4.11Å; F1387-F1389 HydrophobicContact CE1-CZ 4.39Å; F1387-F1389 HydrophobicContact CZ-CB 4.06Å; F1387-F1389 HydrophobicContact CZ-CD2 4.02Å; F1387-F1389 VanDerWaalsContact O-CD2 3.3Å; F1387-F1389 WeakPolarHBondContact O-CD2 3.5Å; F1387-F1389 PolarHBondContact O-N 3.45Å; F1387-Y1392 HydrophobicContact CE1-CG 4.34Å; F1387-Y1392 HydrophobicContact CZ-CD2 4.29Å; F1387-Y1392 AromaticContact CZ-CG 3.9Å; F1387-Y1392 HydrophobicContact CZ-CG 4.11Å | ||
| 1388 | N | 65.2 | Low | 63.9 | Low | 73 Ų | 73 | 73.1 Ų | 73.1 | 39% | 0.39 | 39% | 0.387 | S | S | . | . | trans | -99.6 | 106.1 | 174 | -170.6 | -19.1 | 0 | 0 | 0 | 111.1 | D1386 V1390 Q1391 Y1392 | D1386-N1388 PolarHBondContact O-N 2.83Å; N1388-V1390 VanDerWaalsContact C-N 3.27Å; N1388-V1390 PolarHBondContact O-N 3.08Å; N1388-V1390 VanDerWaalsContact O-N 3.13Å; N1388-V1390 WeakPolarHBondContact OD1-CA 3.36Å; N1388-V1390 WeakPolarHBondContact OD1-CB 3.28Å; N1388-V1390 VanDerWaalsContact OD1-CG2 3.28Å; N1388-V1390 WeakPolarHBondContact OD1-CG2 3.35Å; N1388-V1390 PolarHBondContact OD1-N 3.08Å; N1388-V1390 VanDerWaalsContact OD1-N 3.12Å; N1388-Q1391 HydrophobicContact CB-CB 4.08Å; N1388-Q1391 HydrophobicContact CB-CG 3.91Å; N1388-Q1391 WeakPolarHBondContact O-CB 3.39Å; N1388-Q1391 PolarHBondContact O-N 2.97Å; N1388-Q1391 VanDerWaalsContact O-N 3.14Å; N1388-Q1391 PolarHBondContact OD1-N 3.09Å; N1388-Y1392 PolarHBondContact O-N 2.91Å | ||
| 1389 | F | 68.1 | Low | 66 | Low | 17 Ų | 17 | 67 Ų | 67 | 8% | 0.075 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.4 | -33.3 | 176.4 | -134.4 | -84.4 | 0 | 0 | 0 | 112.7 | I1152 I1257 M1263 V1309 D1311 L1349 L1352 H1353 I1356 L1373 I1384 F1387 Q1391 Y1392 G1393 | I1152-F1389 HydrophobicContact CB-CE1 4.26Å; I1152-F1389 HydrophobicContact CB-CZ 3.93Å; I1152-F1389 HydrophobicContact CD1-CD1 3.86Å; I1152-F1389 HydrophobicContact CD1-CD2 4.33Å; I1152-F1389 HydrophobicContact CD1-CE1 3.2Å; I1152-F1389 HydrophobicContact CD1-CE2 3.77Å; I1152-F1389 HydrophobicContact CD1-CG 4.38Å; I1152-F1389 HydrophobicContact CD1-CZ 3.15Å; I1152-F1389 HydrophobicContact CG1-CE1 4.26Å; I1152-F1389 HydrophobicContact CG1-CZ 4Å; I1152-F1389 HydrophobicContact CG2-CE1 4.15Å; I1152-F1389 HydrophobicContact CG2-CZ 4.28Å; I1257-F1389 HydrophobicContact CD1-CE1 3.96Å; I1257-F1389 HydrophobicContact CD1-CZ 4.21Å; M1263-F1389 HydrophobicContact CE-CD1 3.96Å; M1263-F1389 HydrophobicContact CE-CD2 3.79Å; M1263-F1389 HydrophobicContact CE-CE1 3.48Å; M1263-F1389 HydrophobicContact CE-CE2 3.64Å; M1263-F1389 HydrophobicContact CE-CZ 3.78Å; M1263-F1389 HydrophobicContact SD-CD2 4.45Å; M1263-F1389 HydrophobicContact SD-CE1 3.76Å; M1263-F1389 HydrophobicContact SD-CE2 4.27Å; M1263-F1389 HydrophobicContact SD-CZ 4.33Å; V1309-F1389 HydrophobicContact CB-CZ 4.06Å; V1309-F1389 HydrophobicContact CG1-CE1 4.42Å; V1309-F1389 HydrophobicContact CG1-CE2 3.85Å; V1309-F1389 HydrophobicContact CG1-CZ 3.51Å; V1309-F1389 VanDerWaalsContact CG1-CZ 3.46Å; D1311-F1389 HydrophobicContact CB-CE1 3.84Å; D1311-F1389 HydrophobicContact CB-CE2 4.47Å; D1311-F1389 HydrophobicContact CB-CZ 3.66Å; D1311-F1389 WeakPolarHBondContact OD2-CZ 3.42Å; L1349-F1389 HydrophobicContact CB-CB 4.2Å; L1349-F1389 HydrophobicContact CD2-CB 4.5Å; L1349-F1389 WeakPolarHBondContact O-CB 3.11Å; L1352-F1389 HydrophobicContact CD2-CD1 3.41Å; L1352-F1389 VanDerWaalsContact CD2-CD1 3.41Å; L1352-F1389 HydrophobicContact CD2-CE1 3.59Å; L1352-F1389 HydrophobicContact CD2-CG 4.08Å; L1352-F1389 HydrophobicContact CD2-CZ 4.38Å; H1353-F1389 HydrophobicContact CB-CB 4.16Å; H1353-F1389 HydrophobicContact CB-CD2 3.71Å; H1353-F1389 HydrophobicContact CB-CE2 4.49Å; H1353-F1389 HydrophobicContact CB-CG 4.2Å; H1353-F1389 AromaticContact CG-CD2 3.9Å; H1353-F1389 AromaticContact ND1-CD2 3.44Å; H1353-F1389 WeakPolarHBondContact ND1-CD2 3.46Å; H1353-F1389 AromaticContact ND1-CE2 3.79Å; I1356-F1389 HydrophobicContact CD1-CE1 3.82Å; I1356-F1389 HydrophobicContact CD1-CE2 4.01Å; I1356-F1389 HydrophobicContact CD1-CZ 3.42Å; I1356-F1389 VanDerWaalsContact CD1-CZ 3.42Å; L1373-F1389 HydrophobicContact CB-CD1 4.11Å; L1373-F1389 HydrophobicContact CD1-CD1 3.91Å; L1373-F1389 HydrophobicContact CD1-CE1 4.22Å; L1373-F1389 HydrophobicContact CD2-CD1 3.59Å; L1373-F1389 HydrophobicContact CD2-CE1 3.72Å; L1373-F1389 VanDerWaalsContact CD2-CE1 3.49Å; L1373-F1389 HydrophobicContact CD2-CG 4.38Å; L1373-F1389 HydrophobicContact CG-CD1 4.17Å; L1373-F1389 HydrophobicContact CG-CE1 4.37Å; I1384-F1389 HydrophobicContact CG2-CE2 4.09Å; F1387-F1389 HydrophobicContact CD1-CD1 4.14Å; F1387-F1389 AromaticContact CD1-CD2 3.83Å; F1387-F1389 HydrophobicContact CD1-CD2 4.06Å; F1387-F1389 HydrophobicContact CD1-CE1 4.07Å; F1387-F1389 AromaticContact CD1-CE2 3.76Å; F1387-F1389 HydrophobicContact CD1-CE2 4.04Å; F1387-F1389 HydrophobicContact CD1-CG 4.03Å; F1387-F1389 AromaticContact CD1-CZ 3.88Å; F1387-F1389 HydrophobicContact CD1-CZ 3.88Å; F1387-F1389 HydrophobicContact CE1-CB 4.27Å; F1387-F1389 AromaticContact CE1-CD1 3.91Å; F1387-F1389 HydrophobicContact CE1-CD1 4.08Å; F1387-F1389 HydrophobicContact CE1-CD2 4.3Å; F1387-F1389 HydrophobicContact CE1-CE1 4.22Å; F1387-F1389 HydrophobicContact CE1-CE2 4.42Å; F1387-F1389 HydrophobicContact CE1-CG 4.11Å; F1387-F1389 HydrophobicContact CE1-CZ 4.39Å; F1387-F1389 HydrophobicContact CZ-CB 4.06Å; F1387-F1389 HydrophobicContact CZ-CD2 4.02Å; F1387-F1389 VanDerWaalsContact O-CD2 3.3Å; F1387-F1389 WeakPolarHBondContact O-CD2 3.5Å; F1387-F1389 PolarHBondContact O-N 3.45Å; F1389-Q1391 VanDerWaalsContact C-N 3.28Å; F1389-Q1391 PolarHBondContact O-N 3.25Å; F1389-Y1392 WeakPolarHBondContact O-CB 3.43Å; F1389-Y1392 PolarHBondContact O-N 3.08Å; F1389-Y1392 VanDerWaalsContact O-N 3.16Å; F1389-G1393 PolarHBondContact O-N 3.08Å |
| 1390 | V | 68.7 | Low | 68.1 | Low | 18.2 Ų | 18.2 | 63.3 Ų | 63.3 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 176 | -172.6 | 0 | 0 | 0 | 0 | 110.9 | P1347 T1350 R1369 I1371 L1373 N1388 Y1392 G1393 R1394 | P1347-V1390 HydrophobicContact CB-CG1 4.44Å; P1347-V1390 HydrophobicContact CG-CG1 4.29Å; T1350-V1390 HydrophobicContact CG2-CG2 3.92Å; T1350-V1390 VanDerWaalsContact OG1-CG2 3.28Å; T1350-V1390 WeakPolarHBondContact OG1-CG2 3.44Å; R1369-V1390 HydrophobicContact CB-CG1 4.26Å; I1371-V1390 HydrophobicContact CG2-CG1 3.97Å; I1371-V1390 HydrophobicContact CG2-CG2 4.17Å; L1373-V1390 HydrophobicContact CB-CG2 3.71Å; L1373-V1390 HydrophobicContact CD1-CB 4.2Å; L1373-V1390 HydrophobicContact CD1-CG1 4.37Å; L1373-V1390 HydrophobicContact CD1-CG2 3.84Å; L1373-V1390 HydrophobicContact CG-CG2 4.41Å; N1388-V1390 VanDerWaalsContact C-N 3.27Å; N1388-V1390 PolarHBondContact O-N 3.08Å; N1388-V1390 VanDerWaalsContact O-N 3.13Å; N1388-V1390 WeakPolarHBondContact OD1-CA 3.36Å; N1388-V1390 WeakPolarHBondContact OD1-CB 3.28Å; N1388-V1390 VanDerWaalsContact OD1-CG2 3.28Å; N1388-V1390 WeakPolarHBondContact OD1-CG2 3.35Å; N1388-V1390 PolarHBondContact OD1-N 3.08Å; N1388-V1390 VanDerWaalsContact OD1-N 3.12Å; V1390-Y1392 VanDerWaalsContact C-N 3.34Å; V1390-G1393 PolarHBondContact O-N 3.14Å; V1390-R1394 WeakPolarHBondContact O-CG 3.39Å; V1390-R1394 PolarHBondContact O-N 3.19Å; V1390-R1394 VanDerWaalsContact O-N 3.09Å |
| 1391 | Q | 73.8 | Confident | 69.8 | Low | 110.4 Ų | 110.4 | 61.2 Ų | 61.2 | 52% | 0.516 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 177.6 | -153.6 | 179.2 | 1.1 | 0 | 0 | 111.6 | N1388 F1389 R1394 Q1395 | N1388-Q1391 HydrophobicContact CB-CB 4.08Å; N1388-Q1391 HydrophobicContact CB-CG 3.91Å; N1388-Q1391 WeakPolarHBondContact O-CB 3.39Å; N1388-Q1391 PolarHBondContact O-N 2.97Å; N1388-Q1391 VanDerWaalsContact O-N 3.14Å; N1388-Q1391 PolarHBondContact OD1-N 3.09Å; F1389-Q1391 VanDerWaalsContact C-N 3.28Å; F1389-Q1391 PolarHBondContact O-N 3.25Å; Q1391-R1394 PolarHBondContact O-N 3.25Å; Q1391-Q1395 WeakPolarHBondContact O-CB 3.42Å; Q1391-Q1395 VanDerWaalsContact O-CG 3.28Å; Q1391-Q1395 WeakPolarHBondContact O-CG 3.4Å; Q1391-Q1395 PolarHBondContact O-N 2.99Å; Q1391-Q1395 VanDerWaalsContact O-N 3.1Å |
| 1392 | Y | 79.6 | Confident | 71.4 | Confident | 4.2 Ų | 4.2 | 62.6 Ų | 62.6 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.6 | -40.4 | 174.2 | -178.7 | -108.3 | 0 | 0 | 0 | 112.3 | H1189 I1257 M1263 V1309 F1387 N1388 F1389 V1390 R1394 Q1395 I1396 | H1189-Y1392 AromaticContact NE2-CE2 3.86Å; H1189-Y1392 AromaticContact NE2-CZ 3.84Å; H1189-Y1392 PolarHBondContact NE2-OH 2.99Å; I1257-Y1392 HydrophobicContact CD1-CD1 4.42Å; I1257-Y1392 HydrophobicContact CD1-CD2 3.81Å; I1257-Y1392 HydrophobicContact CD1-CE2 4.08Å; I1257-Y1392 HydrophobicContact CD1-CG 4.12Å; M1263-Y1392 HydrophobicContact CB-CE1 4.21Å; M1263-Y1392 HydrophobicContact CE-CD1 3.75Å; M1263-Y1392 VanDerWaalsContact CE-CD1 3.45Å; M1263-Y1392 HydrophobicContact CE-CE1 3.76Å; M1263-Y1392 HydrophobicContact CE-CG 4.23Å; M1263-Y1392 HydrophobicContact CG-CD1 4.35Å; M1263-Y1392 HydrophobicContact CG-CE1 4.03Å; M1263-Y1392 HydrophobicContact SD-CE1 4.49Å; V1309-Y1392 HydrophobicContact CG1-CD1 4.25Å; V1309-Y1392 HydrophobicContact CG1-CE1 3.93Å; V1309-Y1392 HydrophobicContact CG2-CE1 4.09Å; F1387-Y1392 HydrophobicContact CE1-CG 4.34Å; F1387-Y1392 HydrophobicContact CZ-CD2 4.29Å; F1387-Y1392 AromaticContact CZ-CG 3.9Å; F1387-Y1392 HydrophobicContact CZ-CG 4.11Å; N1388-Y1392 PolarHBondContact O-N 2.91Å; F1389-Y1392 WeakPolarHBondContact O-CB 3.43Å; F1389-Y1392 PolarHBondContact O-N 3.08Å; F1389-Y1392 VanDerWaalsContact O-N 3.16Å; V1390-Y1392 VanDerWaalsContact C-N 3.34Å; Y1392-R1394 PolarHBondContact O-N 3.02Å; Y1392-Q1395 WeakPolarHBondContact O-CB 3.23Å; Y1392-Q1395 PolarHBondContact O-N 3Å; Y1392-I1396 HydrophobicContact CD1-CD1 4.01Å; Y1392-I1396 HydrophobicContact CE1-CD1 3.53Å; Y1392-I1396 VanDerWaalsContact CE1-CD1 3.47Å; Y1392-I1396 HydrophobicContact CE1-CG1 4.43Å; Y1392-I1396 HydrophobicContact CE2-CD1 4.33Å; Y1392-I1396 WeakPolarHBondContact O-CG1 3.43Å; Y1392-I1396 PolarHBondContact O-N 3.04Å; Y1392-I1396 VanDerWaalsContact O-N 3.15Å |
| 1393 | G | 79.1 | Confident | 73.4 | Confident | 4.2 Ų | 4.2 | 55.9 Ų | 55.9 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -48 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1389 V1390 Q1395 I1396 E1397 | F1389-G1393 PolarHBondContact O-N 3.08Å; V1390-G1393 PolarHBondContact O-N 3.14Å; G1393-Q1395 VanDerWaalsContact C-N 3.34Å; G1393-Q1395 PolarHBondContact O-N 3.2Å; G1393-I1396 WeakPolarHBondContact O-CA 3.33Å; G1393-I1396 WeakPolarHBondContact O-CB 3.45Å; G1393-I1396 PolarHBondContact O-N 2.96Å; G1393-I1396 VanDerWaalsContact O-N 3.11Å; G1393-E1397 PolarHBondContact O-N 3.2Å |
| 1394 | R | 80.6 | Confident | 75.5 | Confident | 100.8 Ų | 100.8 | 53.7 Ų | 53.7 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 174.3 | -71.5 | -178.8 | -173 | -177 | 0.7 | 112.6 | D1362 S1366 V1390 Q1391 Y1392 I1396 E1397 D1398 | D1362-R1394 IonicContact OD1-CZ 2.69Å; D1362-R1394 IonicContact OD1-NH1 2.81Å; D1362-R1394 PolarHBondContact OD1-NH1 3.01Å; D1362-R1394 IonicContact OD1-NH2 3.48Å; S1366-R1394 PolarHBondContact OG-NH2 3.36Å; V1390-R1394 WeakPolarHBondContact O-CG 3.39Å; V1390-R1394 PolarHBondContact O-N 3.19Å; V1390-R1394 VanDerWaalsContact O-N 3.09Å; Q1391-R1394 PolarHBondContact O-N 3.25Å; Y1392-R1394 PolarHBondContact O-N 3.02Å; R1394-I1396 PolarHBondContact O-N 3.19Å; R1394-E1397 CarbonylContact O-C 3.49Å; R1394-E1397 WeakPolarHBondContact O-CA 3.39Å; R1394-E1397 WeakPolarHBondContact O-CB 3.31Å; R1394-E1397 PolarHBondContact O-N 3.11Å; R1394-E1397 VanDerWaalsContact O-N 3.11Å; R1394-D1398 WeakPolarHBondContact O-CB 3.36Å; R1394-D1398 VanDerWaalsContact O-CG 3.24Å; R1394-D1398 PolarHBondContact O-N 3.19Å |
| 1395 | Q | 84 | Confident | 77.4 | Confident | 60.4 Ų | 60.4 | 51 Ų | 51 | 28% | 0.282 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.2 | -30.5 | 176.7 | -75.5 | 173.9 | 18.2 | 0 | 0 | 113.5 | K1188 Q1391 Y1392 G1393 A1399 | K1188-Q1395 PolarHBondContact NZ-O 2.91Å; Q1391-Q1395 WeakPolarHBondContact O-CB 3.42Å; Q1391-Q1395 VanDerWaalsContact O-CG 3.28Å; Q1391-Q1395 WeakPolarHBondContact O-CG 3.4Å; Q1391-Q1395 PolarHBondContact O-N 2.99Å; Q1391-Q1395 VanDerWaalsContact O-N 3.1Å; Y1392-Q1395 WeakPolarHBondContact O-CB 3.23Å; Y1392-Q1395 PolarHBondContact O-N 3Å; G1393-Q1395 VanDerWaalsContact C-N 3.34Å; G1393-Q1395 PolarHBondContact O-N 3.2Å; Q1395-A1399 VanDerWaalsContact O-CB 3.24Å; Q1395-A1399 WeakPolarHBondContact O-CB 3.35Å; Q1395-A1399 PolarHBondContact O-N 3.3Å; Q1395-A1399 VanDerWaalsContact O-N 3.1Å |
| 1396 | I | 87 | Confident | 79.2 | Confident | 3.2 Ų | 3.2 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -77 | -42.9 | 174.8 | -64.6 | 167.6 | 0 | 0 | 0 | 110.4 | M1154 F1156 F1181 L1265 L1307 V1309 Y1392 G1393 R1394 D1398 A1399 Y1400 | M1154-I1396 HydrophobicContact SD-CD1 4.31Å; M1154-I1396 HydrophobicContact SD-CG2 4.39Å; F1156-I1396 HydrophobicContact CE2-CG2 4.36Å; F1156-I1396 HydrophobicContact CZ-CG2 4Å; F1181-I1396 HydrophobicContact CZ-CG2 4.44Å; L1265-I1396 HydrophobicContact CD1-CD1 3.97Å; L1265-I1396 HydrophobicContact CD2-CD1 4.29Å; L1307-I1396 HydrophobicContact CD1-CG2 4.02Å; L1307-I1396 HydrophobicContact CD2-CG2 3.67Å; V1309-I1396 HydrophobicContact CG2-CD1 4.03Å; Y1392-I1396 HydrophobicContact CD1-CD1 4.01Å; Y1392-I1396 HydrophobicContact CE1-CD1 3.53Å; Y1392-I1396 VanDerWaalsContact CE1-CD1 3.47Å; Y1392-I1396 HydrophobicContact CE1-CG1 4.43Å; Y1392-I1396 HydrophobicContact CE2-CD1 4.33Å; Y1392-I1396 WeakPolarHBondContact O-CG1 3.43Å; Y1392-I1396 PolarHBondContact O-N 3.04Å; Y1392-I1396 VanDerWaalsContact O-N 3.15Å; G1393-I1396 WeakPolarHBondContact O-CA 3.33Å; G1393-I1396 WeakPolarHBondContact O-CB 3.45Å; G1393-I1396 PolarHBondContact O-N 2.96Å; G1393-I1396 VanDerWaalsContact O-N 3.11Å; R1394-I1396 PolarHBondContact O-N 3.19Å; I1396-D1398 PolarHBondContact O-N 3.14Å; I1396-A1399 WeakPolarHBondContact O-CB 3.47Å; I1396-A1399 PolarHBondContact O-N 2.98Å; I1396-Y1400 WeakPolarHBondContact O-CB 3.26Å; I1396-Y1400 PolarHBondContact O-N 3.34Å |
| 1397 | E | 85.9 | Confident | 81 | Confident | 70.6 Ų | 70.6 | 35 Ų | 35 | 33% | 0.33 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.7 | -49.4 | 174.6 | -156 | 176.7 | -173.7 | 0 | 0 | 111.2 | L1338 R1369 G1393 R1394 A1399 Y1400 G1401 | L1338-E1397 HydrophobicContact CD1-CB 4.4Å; L1338-E1397 HydrophobicContact CD1-CG 4.21Å; R1369-E1397 IonicContact NH1-OE2 2.8Å; G1393-E1397 PolarHBondContact O-N 3.2Å; R1394-E1397 CarbonylContact O-C 3.49Å; R1394-E1397 WeakPolarHBondContact O-CA 3.39Å; R1394-E1397 WeakPolarHBondContact O-CB 3.31Å; R1394-E1397 PolarHBondContact O-N 3.11Å; R1394-E1397 VanDerWaalsContact O-N 3.11Å; E1397-A1399 VanDerWaalsContact C-N 3.32Å; E1397-A1399 PolarHBondContact O-N 2.99Å; E1397-Y1400 WeakPolarHBondContact O-CA 3.29Å; E1397-Y1400 WeakPolarHBondContact O-CB 3.32Å; E1397-Y1400 PolarHBondContact O-N 3.43Å; E1397-Y1400 VanDerWaalsContact O-N 3.14Å; E1397-G1401 PolarHBondContact O-N 3.12Å |
| 1398 | D | 84.7 | Confident | 82.5 | Confident | 99.2 Ų | 99.2 | 32.6 Ų | 32.6 | 53% | 0.53 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 177.1 | -61.9 | -27.2 | 0 | 0 | 0 | 111.5 | R1394 I1396 Y1400 G1401 Y1402 | R1394-D1398 WeakPolarHBondContact O-CB 3.36Å; R1394-D1398 VanDerWaalsContact O-CG 3.24Å; R1394-D1398 PolarHBondContact O-N 3.19Å; I1396-D1398 PolarHBondContact O-N 3.14Å; D1398-Y1400 VanDerWaalsContact C-N 3.29Å; D1398-Y1400 PolarHBondContact O-N 3.05Å; D1398-G1401 PolarHBondContact O-N 3.08Å; D1398-Y1402 WeakPolarHBondContact O-CB 3.29Å; D1398-Y1402 PolarHBondContact O-N 3.18Å |
| 1399 | A | 87.5 | Confident | 83.6 | Confident | 1.4 Ų | 1.4 | 29.3 Ų | 29.3 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1181 T1184 K1188 Q1395 I1396 E1397 S1403 | F1181-A1399 HydrophobicContact CE2-CB 4.46Å; T1184-A1399 HydrophobicContact CG2-CB 3.92Å; K1188-A1399 HydrophobicContact CD-CB 4.42Å; Q1395-A1399 VanDerWaalsContact O-CB 3.24Å; Q1395-A1399 WeakPolarHBondContact O-CB 3.35Å; Q1395-A1399 PolarHBondContact O-N 3.3Å; Q1395-A1399 VanDerWaalsContact O-N 3.1Å; I1396-A1399 WeakPolarHBondContact O-CB 3.47Å; I1396-A1399 PolarHBondContact O-N 2.98Å; E1397-A1399 VanDerWaalsContact C-N 3.32Å; E1397-A1399 PolarHBondContact O-N 2.99Å; A1399-S1403 VanDerWaalsContact O-CB 3.31Å; A1399-S1403 WeakPolarHBondContact O-CB 3.33Å; A1399-S1403 PolarHBondContact O-N 3.09Å; A1399-S1403 VanDerWaalsContact O-N 3.1Å; A1399-S1403 PolarHBondContact O-OG 3.04Å |
| 1400 | Y | 90 | Very high | 84.4 | Confident | 15 Ų | 15 | 29.6 Ų | 29.6 | 6% | 0.059 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.3 | -44.7 | 175.1 | -172.8 | -113.3 | 0 | 0 | 0 | 111.6 | F1156 S1157 F1181 F1305 I1396 E1397 D1398 Y1402 S1403 I1404 | F1156-Y1400 HydrophobicContact CB-CE1 4.21Å; F1156-Y1400 AromaticContact CD1-CD1 3.34Å; F1156-Y1400 HydrophobicContact CD1-CD1 3.34Å; F1156-Y1400 VanDerWaalsContact CD1-CD1 3.46Å; F1156-Y1400 HydrophobicContact CD1-CD2 4.39Å; F1156-Y1400 AromaticContact CD1-CE1 3.81Å; F1156-Y1400 HydrophobicContact CD1-CE1 3.81Å; F1156-Y1400 AromaticContact CD1-CG 3.72Å; F1156-Y1400 HydrophobicContact CD1-CG 3.72Å; F1156-Y1400 AromaticContact CE1-CD1 3.79Å; F1156-Y1400 HydrophobicContact CE1-CD1 3.79Å; F1156-Y1400 AromaticContact CE1-CG 3.91Å; F1156-Y1400 HydrophobicContact CE1-CG 3.91Å; F1156-Y1400 HydrophobicContact CG-CD1 4.24Å; F1156-Y1400 HydrophobicContact CG-CE1 4.39Å; F1156-Y1400 HydrophobicContact CG-CG 4.39Å; S1157-Y1400 WeakPolarHBondContact O-CE1 3.47Å; S1157-Y1400 PolarHBondContact O-OH 3.17Å; F1181-Y1400 HydrophobicContact CD1-CD2 4.17Å; F1181-Y1400 HydrophobicContact CD1-CE2 4.5Å; F1181-Y1400 AromaticContact CD2-CD2 3.8Å; F1181-Y1400 HydrophobicContact CD2-CD2 3.8Å; F1181-Y1400 HydrophobicContact CE1-CD2 4.22Å; F1181-Y1400 AromaticContact CE2-CD2 3.87Å; F1181-Y1400 HydrophobicContact CE2-CD2 3.87Å; F1181-Y1400 HydrophobicContact CE2-CG 4.31Å; F1181-Y1400 AromaticContact CG-CD2 3.93Å; F1181-Y1400 HydrophobicContact CG-CD2 3.95Å; F1181-Y1400 HydrophobicContact CG-CE2 4.47Å; F1181-Y1400 HydrophobicContact CZ-CD2 4.07Å; F1305-Y1400 HydrophobicContact CE1-CE2 4.2Å; F1305-Y1400 AromaticContact CE1-CZ 3.87Å; F1305-Y1400 WeakPolarHBondContact CE1-OH 3.32Å; F1305-Y1400 HydrophobicContact CZ-CD2 4.34Å; F1305-Y1400 HydrophobicContact CZ-CE1 4.44Å; F1305-Y1400 AromaticContact CZ-CE2 3.7Å; F1305-Y1400 HydrophobicContact CZ-CE2 3.7Å; F1305-Y1400 AromaticContact CZ-CZ 3.82Å; I1396-Y1400 WeakPolarHBondContact O-CB 3.26Å; I1396-Y1400 PolarHBondContact O-N 3.34Å; E1397-Y1400 WeakPolarHBondContact O-CA 3.29Å; E1397-Y1400 WeakPolarHBondContact O-CB 3.32Å; E1397-Y1400 PolarHBondContact O-N 3.43Å; E1397-Y1400 VanDerWaalsContact O-N 3.14Å; D1398-Y1400 VanDerWaalsContact C-N 3.29Å; D1398-Y1400 PolarHBondContact O-N 3.05Å; Y1400-Y1402 PolarHBondContact O-N 3.15Å; Y1400-S1403 WeakPolarHBondContact CA-OG 3.35Å; Y1400-S1403 WeakPolarHBondContact O-CA 3.23Å; Y1400-S1403 WeakPolarHBondContact O-CB 3.44Å; Y1400-S1403 PolarHBondContact O-N 3.05Å; Y1400-S1403 PolarHBondContact O-OG 2.69Å; Y1400-I1404 HydrophobicContact CD1-CD1 4Å; Y1400-I1404 HydrophobicContact CD1-CG1 4.44Å; Y1400-I1404 HydrophobicContact CE1-CD1 3.55Å; Y1400-I1404 VanDerWaalsContact CE1-CD1 3.5Å; Y1400-I1404 HydrophobicContact CE1-CG1 4.07Å; Y1400-I1404 HydrophobicContact CE2-CG1 4.47Å; Y1400-I1404 PolarHBondContact O-N 3.09Å |
| 1401 | G | 84.5 | Confident | 85.3 | Confident | 3.2 Ų | 3.2 | 28.9 Ų | 28.9 | 3% | 0.033 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.8 | -51.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1397 D1398 S1403 I1404 V1405 Q1430 | E1397-G1401 PolarHBondContact O-N 3.12Å; D1398-G1401 PolarHBondContact O-N 3.08Å; G1401-S1403 VanDerWaalsContact C-N 3.29Å; G1401-S1403 PolarHBondContact O-N 3.06Å; G1401-I1404 WeakPolarHBondContact O-CB 3.24Å; G1401-I1404 PolarHBondContact O-N 3.01Å; G1401-V1405 WeakPolarHBondContact O-CG2 3.45Å; G1401-V1405 PolarHBondContact O-N 3.06Å; G1401-V1405 VanDerWaalsContact O-N 3.1Å; G1401-Q1430 VanDerWaalsContact CA-OE1 3.26Å |
| 1402 | Y | 86.4 | Confident | 86 | Confident | 61.6 Ų | 61.6 | 24.7 Ų | 24.7 | 24% | 0.242 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.4 | -42.8 | 173.2 | 177.7 | -91.5 | 0 | 0 | 0 | 112.2 | T1184 D1398 Y1400 I1404 V1405 A1406 P1625 P1681 | T1184-Y1402 HydrophobicContact CG2-CD1 4.42Å; D1398-Y1402 WeakPolarHBondContact O-CB 3.29Å; D1398-Y1402 PolarHBondContact O-N 3.18Å; Y1400-Y1402 PolarHBondContact O-N 3.15Å; Y1402-I1404 VanDerWaalsContact C-N 3.33Å; Y1402-I1404 PolarHBondContact O-N 3.09Å; Y1402-V1405 PolarHBondContact O-N 2.92Å; Y1402-V1405 VanDerWaalsContact O-N 3.17Å; Y1402-A1406 HydrophobicContact CD1-CB 4.38Å; Y1402-A1406 HydrophobicContact CE1-CB 3.96Å; Y1402-A1406 VanDerWaalsContact O-CB 3.31Å; Y1402-A1406 WeakPolarHBondContact O-CB 3.4Å; Y1402-A1406 PolarHBondContact O-N 3.07Å; Y1402-P1625 HydrophobicContact CE2-CG 4.47Å; Y1402-P1681 HydrophobicContact CD2-CB 3.94Å; Y1402-P1681 HydrophobicContact CD2-CG 3.93Å; Y1402-P1681 HydrophobicContact CE2-CB 4.35Å; Y1402-P1681 HydrophobicContact CE2-CG 3.84Å |
| 1403 | S | 86.6 | Confident | 86.1 | Confident | 13.4 Ų | 13.4 | 28.1 Ų | 28.1 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.7 | -29.9 | -177.3 | -47.8 | 0 | 0 | 0 | 0 | 113.3 | F1181 T1184 A1399 Y1400 G1401 G1407 | F1181-S1403 VanDerWaalsContact CA-OG 3.27Å; F1181-S1403 WeakPolarHBondContact CA-OG 3.32Å; F1181-S1403 WeakPolarHBondContact CB-OG 3.31Å; T1184-S1403 PolarHBondContact OG1-OG 3.02Å; A1399-S1403 VanDerWaalsContact O-CB 3.31Å; A1399-S1403 WeakPolarHBondContact O-CB 3.33Å; A1399-S1403 PolarHBondContact O-N 3.09Å; A1399-S1403 VanDerWaalsContact O-N 3.1Å; A1399-S1403 PolarHBondContact O-OG 3.04Å; Y1400-S1403 WeakPolarHBondContact CA-OG 3.35Å; Y1400-S1403 WeakPolarHBondContact O-CA 3.23Å; Y1400-S1403 WeakPolarHBondContact O-CB 3.44Å; Y1400-S1403 PolarHBondContact O-N 3.05Å; Y1400-S1403 PolarHBondContact O-OG 2.69Å; G1401-S1403 VanDerWaalsContact C-N 3.29Å; G1401-S1403 PolarHBondContact O-N 3.06Å; S1403-G1407 WeakPolarHBondContact O-CA 3.43Å; S1403-G1407 PolarHBondContact O-N 3.12Å |
| 1404 | I | 87.9 | Confident | 86.3 | Confident | 13.8 Ų | 13.8 | 32.4 Ų | 32.4 | 7% | 0.071 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -51.9 | 169.7 | -70.1 | 173 | 0 | 0 | 0 | 109.7 | I1159 V1177 Y1400 G1401 Y1402 A1406 G1407 I1408 F1425 A1426 | I1159-I1404 HydrophobicContact CG2-CG1 4.44Å; I1159-I1404 HydrophobicContact CG2-CG2 4.18Å; V1177-I1404 HydrophobicContact CG1-CG1 4.23Å; Y1400-I1404 HydrophobicContact CD1-CD1 4Å; Y1400-I1404 HydrophobicContact CD1-CG1 4.44Å; Y1400-I1404 HydrophobicContact CE1-CD1 3.55Å; Y1400-I1404 VanDerWaalsContact CE1-CD1 3.5Å; Y1400-I1404 HydrophobicContact CE1-CG1 4.07Å; Y1400-I1404 HydrophobicContact CE2-CG1 4.47Å; Y1400-I1404 PolarHBondContact O-N 3.09Å; G1401-I1404 WeakPolarHBondContact O-CB 3.24Å; G1401-I1404 PolarHBondContact O-N 3.01Å; Y1402-I1404 VanDerWaalsContact C-N 3.33Å; Y1402-I1404 PolarHBondContact O-N 3.09Å; I1404-A1406 VanDerWaalsContact C-N 3.33Å; I1404-A1406 PolarHBondContact O-N 3Å; I1404-G1407 PolarHBondContact O-N 3.18Å; I1404-I1408 HydrophobicContact CG2-CD1 3.73Å; I1404-I1408 HydrophobicContact CG2-CG1 4.48Å; I1404-I1408 VanDerWaalsContact O-CB 3.31Å; I1404-I1408 WeakPolarHBondContact O-CB 3.43Å; I1404-I1408 VanDerWaalsContact O-CG1 3.28Å; I1404-I1408 WeakPolarHBondContact O-CG1 3.38Å; I1404-I1408 PolarHBondContact O-N 3.21Å; I1404-F1425 HydrophobicContact CD1-CD1 4.33Å; I1404-F1425 HydrophobicContact CD1-CE1 3.97Å; I1404-F1425 HydrophobicContact CG2-CD1 4.41Å; I1404-A1426 HydrophobicContact CG2-CB 4.08Å |
| 1405 | V | 88.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -51.1 | -178.5 | -179.7 | 0 | 0 | 0 | 0 | 111 | G1401 Y1402 I1408 Y1409 A1426 Q1430 P1625 F1627 P1681 | G1401-V1405 WeakPolarHBondContact O-CG2 3.45Å; G1401-V1405 PolarHBondContact O-N 3.06Å; G1401-V1405 VanDerWaalsContact O-N 3.1Å; Y1402-V1405 PolarHBondContact O-N 2.92Å; Y1402-V1405 VanDerWaalsContact O-N 3.17Å; V1405-I1408 PolarHBondContact O-N 3.21Å; V1405-Y1409 VanDerWaalsContact O-CB 3.27Å; V1405-Y1409 WeakPolarHBondContact O-CB 3.29Å; V1405-Y1409 PolarHBondContact O-N 2.91Å; V1405-A1426 HydrophobicContact CG2-CB 4.06Å; V1405-A1426 WeakPolarHBondContact CG2-O 3.31Å; V1405-Q1430 HydrophobicContact CG2-CB 3.41Å; V1405-Q1430 VanDerWaalsContact CG2-CB 3.4Å; V1405-Q1430 HydrophobicContact CG2-CG 4.2Å; V1405-P1625 HydrophobicContact CB-CG 4.43Å; V1405-P1625 HydrophobicContact CG1-CB 3.98Å; V1405-P1625 HydrophobicContact CG1-CG 3.73Å; V1405-F1627 HydrophobicContact CG1-CE2 3.97Å; V1405-P1681 HydrophobicContact CG1-CB 4.25Å; V1405-P1681 HydrophobicContact CG1-CG 4.24Å |
| 1406 | A | 87.6 | Confident | 86.4 | Confident | 4.8 Ų | 4.8 | 34.6 Ų | 34.6 | 4% | 0.04 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1180 Y1402 I1404 I1408 Y1409 V1410 F1620 P1625 | V1180-A1406 HydrophobicContact CG1-CB 3.82Å; Y1402-A1406 HydrophobicContact CD1-CB 4.38Å; Y1402-A1406 HydrophobicContact CE1-CB 3.96Å; Y1402-A1406 VanDerWaalsContact O-CB 3.31Å; Y1402-A1406 WeakPolarHBondContact O-CB 3.4Å; Y1402-A1406 PolarHBondContact O-N 3.07Å; I1404-A1406 VanDerWaalsContact C-N 3.33Å; I1404-A1406 PolarHBondContact O-N 3Å; A1406-I1408 PolarHBondContact O-N 3.06Å; A1406-Y1409 WeakPolarHBondContact O-CB 3.36Å; A1406-Y1409 PolarHBondContact O-N 3.34Å; A1406-V1410 VanDerWaalsContact O-CG2 3.29Å; A1406-V1410 WeakPolarHBondContact O-CG2 3.4Å; A1406-V1410 PolarHBondContact O-N 3.08Å; A1406-F1620 HydrophobicContact CB-CZ 4.22Å; A1406-P1625 HydrophobicContact CB-CG 4.22Å |
| 1407 | G | 87.7 | Confident | 86.2 | Confident | 6.8 Ų | 6.8 | 39.2 Ų | 39.2 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1403 I1404 Y1409 V1410 A1411 | S1403-G1407 WeakPolarHBondContact O-CA 3.43Å; S1403-G1407 PolarHBondContact O-N 3.12Å; I1404-G1407 PolarHBondContact O-N 3.18Å; G1407-Y1409 VanDerWaalsContact C-N 3.33Å; G1407-V1410 PolarHBondContact O-N 2.97Å; G1407-A1411 WeakPolarHBondContact O-CB 3.3Å; G1407-A1411 PolarHBondContact O-N 3.12Å |
| 1408 | I | 88.7 | Confident | 86.1 | Confident | 3.2 Ų | 3.2 | 36.4 Ų | 36.4 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 173.7 | -73.6 | 172.5 | 0 | 0 | 0 | 110.6 | I1159 I1404 V1405 A1406 V1410 A1411 L1412 V1418 D1422 L1423 A1426 | I1159-I1408 HydrophobicContact CD1-CG1 4.36Å; I1159-I1408 HydrophobicContact CG2-CD1 4.43Å; I1404-I1408 HydrophobicContact CG2-CD1 3.73Å; I1404-I1408 HydrophobicContact CG2-CG1 4.48Å; I1404-I1408 VanDerWaalsContact O-CB 3.31Å; I1404-I1408 WeakPolarHBondContact O-CB 3.43Å; I1404-I1408 VanDerWaalsContact O-CG1 3.28Å; I1404-I1408 WeakPolarHBondContact O-CG1 3.38Å; I1404-I1408 PolarHBondContact O-N 3.21Å; V1405-I1408 PolarHBondContact O-N 3.21Å; A1406-I1408 PolarHBondContact O-N 3.06Å; I1408-V1410 VanDerWaalsContact C-N 3.34Å; I1408-V1410 PolarHBondContact O-N 3.08Å; I1408-A1411 WeakPolarHBondContact O-CB 3.29Å; I1408-A1411 PolarHBondContact O-N 3.23Å; I1408-L1412 HydrophobicContact CG2-CD1 3.89Å; I1408-L1412 HydrophobicContact CG2-CG 4.3Å; I1408-L1412 WeakPolarHBondContact O-CB 3.49Å; I1408-L1412 VanDerWaalsContact O-CG 3.3Å; I1408-L1412 WeakPolarHBondContact O-CG 3.33Å; I1408-L1412 PolarHBondContact O-N 3.06Å; I1408-V1418 HydrophobicContact CD1-CG1 4.22Å; I1408-V1418 HydrophobicContact CG1-CG1 4.04Å; I1408-V1418 HydrophobicContact CG2-CG1 4.05Å; I1408-V1418 HydrophobicContact CG2-CG2 4.39Å; I1408-D1422 HydrophobicContact CD1-CB 4.12Å; I1408-D1422 VanDerWaalsContact CD1-O 3.26Å; I1408-D1422 WeakPolarHBondContact CD1-O 3.48Å; I1408-L1423 HydrophobicContact CG2-CD1 3.81Å; I1408-A1426 HydrophobicContact CD1-CB 3.76Å |
| 1409 | Y | 88.3 | Confident | 86.1 | Confident | 3.2 Ų | 3.2 | 33.3 Ų | 33.3 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59 | -44.7 | 176.4 | 176.2 | -97.8 | 0 | 0 | 0 | 112.2 | V1405 A1406 G1407 A1411 L1412 K1413 V1520 C1521 P1625 V1626 F1627 Y1734 | V1405-Y1409 VanDerWaalsContact O-CB 3.27Å; V1405-Y1409 WeakPolarHBondContact O-CB 3.29Å; V1405-Y1409 PolarHBondContact O-N 2.91Å; A1406-Y1409 WeakPolarHBondContact O-CB 3.36Å; A1406-Y1409 PolarHBondContact O-N 3.34Å; G1407-Y1409 VanDerWaalsContact C-N 3.33Å; Y1409-A1411 VanDerWaalsContact C-N 3.3Å; Y1409-A1411 PolarHBondContact O-N 3.01Å; Y1409-L1412 PolarHBondContact O-N 3.33Å; Y1409-K1413 WeakPolarHBondContact O-CB 3.35Å; Y1409-K1413 PolarHBondContact O-N 3.18Å; Y1409-V1520 HydrophobicContact CD2-CG1 3.78Å; Y1409-V1520 HydrophobicContact CE2-CG1 3.49Å; Y1409-V1520 VanDerWaalsContact CE2-CG1 3.46Å; Y1409-C1521 PolarHBondContact OH-O 3.05Å; Y1409-P1625 VanDerWaalsContact CB-CB 3.45Å; Y1409-P1625 HydrophobicContact CD1-CB 4.07Å; Y1409-P1625 HydrophobicContact CD2-CB 3.71Å; Y1409-P1625 HydrophobicContact CE2-CB 4.39Å; Y1409-P1625 HydrophobicContact CG-CB 3.51Å; Y1409-P1625 VanDerWaalsContact CG-CB 3.47Å; Y1409-P1625 HydrophobicContact CG-CG 4.12Å; Y1409-V1626 VanDerWaalsContact CE2-N 3.33Å; Y1409-F1627 HydrophobicContact CD2-CE1 4.35Å; Y1409-F1627 HydrophobicContact CD2-CE2 4.38Å; Y1409-F1627 AromaticContact CD2-CZ 3.98Å; Y1409-F1627 HydrophobicContact CD2-CZ 4.09Å; Y1409-F1627 HydrophobicContact CG-CZ 4.48Å; Y1409-Y1734 WeakPolarHBondContact OH-CE1 3.28Å; Y1409-Y1734 PolarHBondContact OH-OH 3.1Å |
| 1410 | V | 86.3 | Confident | 85.7 | Confident | 24.2 Ų | 24.2 | 34.4 Ų | 34.4 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | L1176 A1406 G1407 I1408 L1412 K1413 N1414 F1620 | L1176-V1410 HydrophobicContact CD1-CG1 4.25Å; L1176-V1410 HydrophobicContact CD2-CG1 4.27Å; A1406-V1410 VanDerWaalsContact O-CG2 3.29Å; A1406-V1410 WeakPolarHBondContact O-CG2 3.4Å; A1406-V1410 PolarHBondContact O-N 3.08Å; G1407-V1410 PolarHBondContact O-N 2.97Å; I1408-V1410 VanDerWaalsContact C-N 3.34Å; I1408-V1410 PolarHBondContact O-N 3.08Å; V1410-L1412 VanDerWaalsContact C-N 3.35Å; V1410-L1412 PolarHBondContact O-N 3.05Å; V1410-K1413 PolarHBondContact O-N 3.1Å; V1410-N1414 WeakPolarHBondContact O-CB 3.35Å; V1410-N1414 VanDerWaalsContact O-CG 3.32Å; V1410-N1414 PolarHBondContact O-N 2.86Å; V1410-N1414 VanDerWaalsContact O-N 3.11Å; V1410-N1414 PolarHBondContact O-ND2 3.17Å; V1410-F1620 HydrophobicContact CB-CE2 4.31Å; V1410-F1620 HydrophobicContact CG1-CE1 4.15Å; V1410-F1620 HydrophobicContact CG2-CD1 4.17Å; V1410-F1620 HydrophobicContact CG2-CE1 4.33Å; V1410-F1620 HydrophobicContact CG2-CE2 3.58Å; V1410-F1620 HydrophobicContact CG2-CZ 3.59Å |
| 1411 | A | 87.7 | Confident | 85.2 | Confident | 4.2 Ų | 4.2 | 35.8 Ų | 35.8 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1173 L1176 G1407 I1408 Y1409 K1413 N1414 E1415 L1416 V1418 | A1173-A1411 HydrophobicContact CB-CB 4.01Å; L1176-A1411 HydrophobicContact CD1-CB 3.91Å; G1407-A1411 WeakPolarHBondContact O-CB 3.3Å; G1407-A1411 PolarHBondContact O-N 3.12Å; I1408-A1411 WeakPolarHBondContact O-CB 3.29Å; I1408-A1411 PolarHBondContact O-N 3.23Å; Y1409-A1411 VanDerWaalsContact C-N 3.3Å; Y1409-A1411 PolarHBondContact O-N 3.01Å; A1411-K1413 PolarHBondContact O-N 3.08Å; A1411-N1414 CarbonylContact O-C 3.56Å; A1411-N1414 PolarHBondContact O-N 3.15Å; A1411-N1414 VanDerWaalsContact O-N 3.16Å; A1411-E1415 PolarHBondContact O-N 3.24Å; A1411-L1416 HydrophobicContact CB-CB 4.2Å; A1411-L1416 HydrophobicContact CB-CD1 4.46Å; A1411-L1416 WeakPolarHBondContact O-CB 3.4Å; A1411-L1416 PolarHBondContact O-N 2.93Å; A1411-V1418 HydrophobicContact CB-CG2 3.9Å |
| 1412 | L | 86.9 | Confident | 85.2 | Confident | 20.4 Ų | 20.4 | 36.6 Ų | 36.6 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.1 | -37.4 | 177.1 | -67.8 | 173.9 | 0 | 0 | 0 | 112.6 | I1408 Y1409 V1410 N1414 E1415 V1418 L1423 V1512 V1520 F1627 | I1408-L1412 HydrophobicContact CG2-CD1 3.89Å; I1408-L1412 HydrophobicContact CG2-CG 4.3Å; I1408-L1412 WeakPolarHBondContact O-CB 3.49Å; I1408-L1412 VanDerWaalsContact O-CG 3.3Å; I1408-L1412 WeakPolarHBondContact O-CG 3.33Å; I1408-L1412 PolarHBondContact O-N 3.06Å; Y1409-L1412 PolarHBondContact O-N 3.33Å; V1410-L1412 VanDerWaalsContact C-N 3.35Å; V1410-L1412 PolarHBondContact O-N 3.05Å; L1412-N1414 VanDerWaalsContact C-N 3.26Å; L1412-N1414 PolarHBondContact O-N 3.11Å; L1412-E1415 PolarHBondContact O-N 3.06Å; L1412-E1415 VanDerWaalsContact O-N 3.11Å; L1412-V1418 HydrophobicContact CD2-CB 4.4Å; L1412-V1418 HydrophobicContact CD2-CG2 4.13Å; L1412-V1418 HydrophobicContact CG-CG2 4.25Å; L1412-L1423 HydrophobicContact CD1-CD1 3.9Å; L1412-V1512 HydrophobicContact CD1-CG1 4.08Å; L1412-V1512 HydrophobicContact CD1-CG2 4.14Å; L1412-V1512 HydrophobicContact CD2-CG1 3.82Å; L1412-V1512 HydrophobicContact CD2-CG2 4.39Å; L1412-V1520 HydrophobicContact CB-CG2 4.15Å; L1412-V1520 HydrophobicContact CD1-CG2 3.89Å; L1412-F1627 HydrophobicContact CD1-CE1 4Å |
| 1413 | K | 83 | Confident | 85.1 | Confident | 76.8 Ų | 76.8 | 33.8 Ų | 33.8 | 33% | 0.334 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.2 | -34 | 173.5 | -170.5 | -177.6 | 177.7 | -176.9 | 0 | 111.8 | Y1409 V1410 A1411 E1415 F1522 | Y1409-K1413 WeakPolarHBondContact O-CB 3.35Å; Y1409-K1413 PolarHBondContact O-N 3.18Å; V1410-K1413 PolarHBondContact O-N 3.1Å; A1411-K1413 PolarHBondContact O-N 3.08Å; K1413-E1415 VanDerWaalsContact C-N 3.31Å; K1413-F1522 HydrophobicContact CB-CE1 4.28Å; K1413-F1522 HydrophobicContact CG-CD1 4.29Å; K1413-F1522 HydrophobicContact CG-CE1 3.8Å; K1413-F1522 HydrophobicContact CG-CZ 4.23Å |
| 1414 | N | 83.3 | Confident | 84.8 | Confident | 93.2 Ų | 93.2 | 38.7 Ų | 38.7 | 50% | 0.498 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 11 | 177.2 | -66.1 | -26.8 | 0 | 0 | 0 | 113.5 | V1410 A1411 L1412 L1416 | V1410-N1414 WeakPolarHBondContact O-CB 3.35Å; V1410-N1414 VanDerWaalsContact O-CG 3.32Å; V1410-N1414 PolarHBondContact O-N 2.86Å; V1410-N1414 VanDerWaalsContact O-N 3.11Å; V1410-N1414 PolarHBondContact O-ND2 3.17Å; A1411-N1414 CarbonylContact O-C 3.56Å; A1411-N1414 PolarHBondContact O-N 3.15Å; A1411-N1414 VanDerWaalsContact O-N 3.16Å; L1412-N1414 VanDerWaalsContact C-N 3.26Å; L1412-N1414 PolarHBondContact O-N 3.11Å; N1414-L1416 HydrophobicContact CB-CD1 4.36Å; N1414-L1416 HydrophobicContact CB-CG 4.15Å; N1414-L1416 PolarHBondContact O-N 3.15Å; N1414-L1416 VanDerWaalsContact O-N 3.17Å |
| 1415 | E | 82.4 | Confident | 84.5 | Confident | 153.6 Ų | 153.6 | 39.9 Ų | 39.9 | 72% | 0.718 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 28.6 | 179.5 | -56.2 | -178.5 | 176.7 | 0 | 0 | 113.7 | A1411 L1412 K1413 R1510 | A1411-E1415 PolarHBondContact O-N 3.24Å; L1412-E1415 PolarHBondContact O-N 3.06Å; L1412-E1415 VanDerWaalsContact O-N 3.11Å; K1413-E1415 VanDerWaalsContact C-N 3.31Å; E1415-R1510 IonicContact OE1-CZ 3.46Å; E1415-R1510 IonicContact OE1-NH1 3.04Å; E1415-R1510 PolarHBondContact OE1-NH1 2.76Å |
| 1416 | L | 84.2 | Confident | 84.3 | Confident | 54.2 Ų | 54.2 | 39.9 Ų | 39.9 | 28% | 0.284 | 20% | 0.199 | S | C | . | . | trans | -84.5 | 148.4 | 174.2 | -59.3 | 177.6 | 0 | 0 | 0 | 111.3 | E1172 L1176 A1411 N1414 | E1172-L1416 HydrophobicContact CB-CD1 4.1Å; E1172-L1416 VanDerWaalsContact OE2-CD2 3.25Å; E1172-L1416 WeakPolarHBondContact OE2-CD2 3.35Å; L1176-L1416 HydrophobicContact CD1-CD1 3.58Å; A1411-L1416 HydrophobicContact CB-CB 4.2Å; A1411-L1416 HydrophobicContact CB-CD1 4.46Å; A1411-L1416 WeakPolarHBondContact O-CB 3.4Å; A1411-L1416 PolarHBondContact O-N 2.93Å; N1414-L1416 HydrophobicContact CB-CD1 4.36Å; N1414-L1416 HydrophobicContact CB-CG 4.15Å; N1414-L1416 PolarHBondContact O-N 3.15Å; N1414-L1416 VanDerWaalsContact O-N 3.17Å | ||
| 1417 | L | 82.7 | Confident | 84.1 | Confident | 100 Ų | 100 | 39.8 Ų | 39.8 | 52% | 0.524 | 20% | 0.198 | S | C | . | . | trans | -70.7 | 137.4 | 178.2 | -60.9 | 175.1 | 0 | 0 | 0 | 111.1 | Y1170 | Y1170-L1417 HydrophobicContact CD1-CB 4.08Å; Y1170-L1417 WeakPolarHBondContact CD1-O 3.44Å; Y1170-L1417 HydrophobicContact CE1-CB 3.91Å | ||
| 1418 | V | 84.4 | Confident | 83.7 | Confident | 11.2 Ų | 11.2 | 42.5 Ų | 42.5 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | trans | -133 | 139.6 | 174 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | A1173 I1408 A1411 L1412 D1422 L1423 | A1173-V1418 HydrophobicContact CB-CG2 4.23Å; I1408-V1418 HydrophobicContact CD1-CG1 4.22Å; I1408-V1418 HydrophobicContact CG1-CG1 4.04Å; I1408-V1418 HydrophobicContact CG2-CG1 4.05Å; I1408-V1418 HydrophobicContact CG2-CG2 4.39Å; A1411-V1418 HydrophobicContact CB-CG2 3.9Å; L1412-V1418 HydrophobicContact CD2-CB 4.4Å; L1412-V1418 HydrophobicContact CD2-CG2 4.13Å; L1412-V1418 HydrophobicContact CG-CG2 4.25Å; V1418-D1422 HydrophobicContact CG1-CB 4.46Å; V1418-L1423 HydrophobicContact CG1-CB 4.36Å | ||
| 1419 | H | 83.3 | Confident | 83.1 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | trans | -74.7 | 144.4 | -178.6 | -168.2 | -91.5 | 0 | 0 | 0 | 112.2 | I1160 Y1170 V1421 D1422 L1423 | I1160-H1419 HydrophobicContact CB-CB 4.1Å; I1160-H1419 HydrophobicContact CD1-CB 4.03Å; I1160-H1419 VanDerWaalsContact CD1-CG 3.49Å; I1160-H1419 WeakPolarHBondContact CD1-ND1 3.35Å; I1160-H1419 HydrophobicContact CG2-CB 4.18Å; Y1170-H1419 HydrophobicContact CE1-CB 4.21Å; Y1170-H1419 HydrophobicContact CE2-CB 4.11Å; Y1170-H1419 AromaticContact CE2-CD2 3.95Å; Y1170-H1419 AromaticContact CZ-CD2 3.93Å; H1419-V1421 VanDerWaalsContact C-N 3.3Å; H1419-V1421 PolarHBondContact ND1-N 3.03Å; H1419-V1421 PolarHBondContact O-N 3.14Å; H1419-V1421 VanDerWaalsContact O-N 3.14Å; H1419-D1422 PolarHBondContact O-N 3.3Å; H1419-D1422 VanDerWaalsContact O-N 3.13Å; H1419-L1423 PolarHBondContact O-N 3.13Å; H1419-L1423 VanDerWaalsContact O-N 3.11Å | ||
| 1420 | S | 79.1 | Confident | 82.7 | Confident | 24.8 Ų | 24.8 | 46.8 Ų | 46.8 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -50.9 | -43.7 | -178.3 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | D1422 L1423 R1424 Y1515 | S1420-D1422 VanDerWaalsContact C-N 3.33Å; S1420-D1422 PolarHBondContact O-N 3.14Å; S1420-L1423 PolarHBondContact O-N 3.02Å; S1420-R1424 WeakPolarHBondContact O-CB 3.38Å; S1420-R1424 WeakPolarHBondContact O-CG 3.16Å; S1420-R1424 PolarHBondContact O-N 3.12Å; S1420-R1424 VanDerWaalsContact O-N 3.09Å; S1420-R1424 PolarHBondContact O-NE 3.16Å; S1420-Y1515 VanDerWaalsContact CA-CZ 3.42Å; S1420-Y1515 VanDerWaalsContact CA-OH 3.25Å; S1420-Y1515 WeakPolarHBondContact CA-OH 3.19Å; S1420-Y1515 WeakPolarHBondContact CB-OH 3.31Å; S1420-Y1515 PolarHBondContact N-OH 3.03Å; S1420-Y1515 PolarHBondContact OG-OH 3.07Å |
| 1421 | V | 80.4 | Confident | 82.6 | Confident | 44.2 Ų | 44.2 | 46.5 Ų | 46.5 | 27% | 0.268 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.7 | -41.3 | -175 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | I1160 M1342 P1344 H1419 R1424 F1425 | I1160-V1421 HydrophobicContact CD1-CB 4.05Å; I1160-V1421 HydrophobicContact CD1-CG1 4.42Å; M1342-V1421 HydrophobicContact CB-CG1 4.37Å; M1342-V1421 HydrophobicContact CE-CG1 3.41Å; P1344-V1421 HydrophobicContact CB-CG2 4.44Å; H1419-V1421 VanDerWaalsContact C-N 3.3Å; H1419-V1421 PolarHBondContact ND1-N 3.03Å; H1419-V1421 PolarHBondContact O-N 3.14Å; H1419-V1421 VanDerWaalsContact O-N 3.14Å; V1421-R1424 PolarHBondContact O-N 2.96Å; V1421-F1425 VanDerWaalsContact O-CB 3.29Å; V1421-F1425 WeakPolarHBondContact O-CB 3.31Å; V1421-F1425 PolarHBondContact O-N 3.15Å |
| 1422 | D | 83.2 | Confident | 82.2 | Confident | 20.6 Ų | 20.6 | 49.7 Ų | 49.7 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73 | -37.8 | 179.6 | -58.3 | -45.4 | 0 | 0 | 0 | 111.4 | I1159 I1160 I1408 V1418 H1419 S1420 R1424 F1425 A1426 | I1159-D1422 HydrophobicContact CB-CB 4.16Å; I1159-D1422 HydrophobicContact CG2-CB 4.16Å; I1160-D1422 VanDerWaalsContact CB-OD2 3.27Å; I1160-D1422 WeakPolarHBondContact CB-OD2 3.35Å; I1160-D1422 WeakPolarHBondContact CG1-OD2 3.27Å; I1160-D1422 PolarHBondContact N-OD1 3.14Å; I1160-D1422 PolarHBondContact N-OD2 3.07Å; I1408-D1422 HydrophobicContact CD1-CB 4.12Å; I1408-D1422 VanDerWaalsContact CD1-O 3.26Å; I1408-D1422 WeakPolarHBondContact CD1-O 3.48Å; V1418-D1422 HydrophobicContact CG1-CB 4.46Å; H1419-D1422 PolarHBondContact O-N 3.3Å; H1419-D1422 VanDerWaalsContact O-N 3.13Å; S1420-D1422 VanDerWaalsContact C-N 3.33Å; S1420-D1422 PolarHBondContact O-N 3.14Å; D1422-R1424 VanDerWaalsContact C-N 3.34Å; D1422-F1425 PolarHBondContact O-N 3.11Å; D1422-A1426 VanDerWaalsContact O-CB 3.29Å; D1422-A1426 WeakPolarHBondContact O-CB 3.4Å; D1422-A1426 PolarHBondContact O-N 3.12Å |
| 1423 | L | 84.5 | Confident | 81.9 | Confident | 2.2 Ų | 2.2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -47 | 174.6 | -177.1 | 65.7 | 0 | 0 | 0 | 111.3 | I1408 L1412 V1418 H1419 S1420 A1426 I1427 V1512 Y1515 F1627 | I1408-L1423 HydrophobicContact CG2-CD1 3.81Å; L1412-L1423 HydrophobicContact CD1-CD1 3.9Å; V1418-L1423 HydrophobicContact CG1-CB 4.36Å; H1419-L1423 PolarHBondContact O-N 3.13Å; H1419-L1423 VanDerWaalsContact O-N 3.11Å; S1420-L1423 PolarHBondContact O-N 3.02Å; L1423-A1426 PolarHBondContact O-N 3.11Å; L1423-I1427 HydrophobicContact CD1-CD1 3.87Å; L1423-I1427 HydrophobicContact CD1-CG1 4.39Å; L1423-I1427 HydrophobicContact CG-CD1 3.97Å; L1423-I1427 WeakPolarHBondContact O-CB 3.43Å; L1423-I1427 VanDerWaalsContact O-CG1 3.32Å; L1423-I1427 WeakPolarHBondContact O-CG1 3.29Å; L1423-I1427 PolarHBondContact O-N 2.97Å; L1423-V1512 HydrophobicContact CD2-CB 4.41Å; L1423-V1512 HydrophobicContact CD2-CG1 3.92Å; L1423-V1512 HydrophobicContact CD2-CG2 4.48Å; L1423-Y1515 HydrophobicContact CD2-CD2 3.41Å; L1423-Y1515 VanDerWaalsContact CD2-CD2 3.47Å; L1423-Y1515 HydrophobicContact CD2-CE2 4.29Å; L1423-Y1515 HydrophobicContact CD2-CG 3.86Å; L1423-F1627 HydrophobicContact CD1-CE1 4.2Å; L1423-F1627 HydrophobicContact CD1-CZ 4.5Å |
| 1424 | R | 80.9 | Confident | 81.9 | Confident | 115.4 Ų | 115.4 | 50 Ų | 50 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.1 | -89.4 | -177 | -135.5 | 157.9 | -1.6 | 111.7 | S1420 V1421 D1422 A1426 I1427 D1428 Y1515 | S1420-R1424 WeakPolarHBondContact O-CB 3.38Å; S1420-R1424 WeakPolarHBondContact O-CG 3.16Å; S1420-R1424 PolarHBondContact O-N 3.12Å; S1420-R1424 VanDerWaalsContact O-N 3.09Å; S1420-R1424 PolarHBondContact O-NE 3.16Å; V1421-R1424 PolarHBondContact O-N 2.96Å; D1422-R1424 VanDerWaalsContact C-N 3.34Å; R1424-A1426 VanDerWaalsContact C-N 3.33Å; R1424-A1426 PolarHBondContact O-N 3.1Å; R1424-I1427 PolarHBondContact O-N 3.13Å; R1424-I1427 VanDerWaalsContact O-N 3.16Å; R1424-D1428 WeakPolarHBondContact CG-OD2 3.42Å; R1424-D1428 WeakPolarHBondContact O-CA 3.39Å; R1424-D1428 VanDerWaalsContact O-CB 3.23Å; R1424-D1428 WeakPolarHBondContact O-CB 3.43Å; R1424-D1428 VanDerWaalsContact O-CG 3.27Å; R1424-D1428 PolarHBondContact O-N 3.04Å; R1424-Y1515 PolarHBondContact NH2-OH 2.82Å |
| 1425 | F | 81.6 | Confident | 81.7 | Confident | 39.8 Ų | 39.8 | 47.9 Ų | 47.9 | 18% | 0.175 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.2 | 177.7 | -100.9 | 0 | 0 | 0 | 112 | M1342 I1404 V1421 D1422 I1427 C1429 Q1430 | M1342-F1425 HydrophobicContact CE-CB 3.63Å; M1342-F1425 HydrophobicContact CE-CD2 3.87Å; M1342-F1425 HydrophobicContact CE-CG 4.03Å; M1342-F1425 HydrophobicContact CG-CD2 3.83Å; M1342-F1425 HydrophobicContact CG-CE2 4.28Å; M1342-F1425 HydrophobicContact SD-CB 4.13Å; M1342-F1425 HydrophobicContact SD-CD2 3.59Å; M1342-F1425 WeakPolarHBondContact SD-CD2 3.35Å; M1342-F1425 HydrophobicContact SD-CE2 3.85Å; M1342-F1425 HydrophobicContact SD-CG 3.83Å; I1404-F1425 HydrophobicContact CD1-CD1 4.33Å; I1404-F1425 HydrophobicContact CD1-CE1 3.97Å; I1404-F1425 HydrophobicContact CG2-CD1 4.41Å; V1421-F1425 VanDerWaalsContact O-CB 3.29Å; V1421-F1425 WeakPolarHBondContact O-CB 3.31Å; V1421-F1425 PolarHBondContact O-N 3.15Å; D1422-F1425 PolarHBondContact O-N 3.11Å; F1425-I1427 VanDerWaalsContact C-N 3.33Å; F1425-I1427 PolarHBondContact O-N 3.03Å; F1425-C1429 HydrophobicContact CD2-CB 4.03Å; F1425-C1429 HydrophobicContact CE2-CB 4.01Å; F1425-C1429 HydrophobicContact CZ-CB 4.43Å; F1425-C1429 WeakPolarHBondContact O-CA 3.46Å; F1425-C1429 VanDerWaalsContact O-CB 3.28Å; F1425-C1429 WeakPolarHBondContact O-CB 3.4Å; F1425-C1429 PolarHBondContact O-N 2.91Å; F1425-C1429 VanDerWaalsContact O-N 3.14Å; F1425-Q1430 HydrophobicContact CD1-CG 4.49Å; F1425-Q1430 HydrophobicContact CE1-CG 4.32Å; F1425-Q1430 PolarHBondContact O-N 2.93Å |
| 1426 | A | 84.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1404 V1405 I1408 D1422 L1423 R1424 Q1430 C1431 | I1404-A1426 HydrophobicContact CG2-CB 4.08Å; V1405-A1426 HydrophobicContact CG2-CB 4.06Å; V1405-A1426 WeakPolarHBondContact CG2-O 3.31Å; I1408-A1426 HydrophobicContact CD1-CB 3.76Å; D1422-A1426 VanDerWaalsContact O-CB 3.29Å; D1422-A1426 WeakPolarHBondContact O-CB 3.4Å; D1422-A1426 PolarHBondContact O-N 3.12Å; L1423-A1426 PolarHBondContact O-N 3.11Å; R1424-A1426 VanDerWaalsContact C-N 3.33Å; R1424-A1426 PolarHBondContact O-N 3.1Å; A1426-Q1430 VanDerWaalsContact O-CB 3.3Å; A1426-Q1430 WeakPolarHBondContact O-CB 3.27Å; A1426-Q1430 PolarHBondContact O-N 3Å; A1426-C1431 PolarHBondContact O-N 3.32Å; A1426-C1431 PolarHBondContact O-SG 3.18Å |
| 1427 | I | 82.9 | Confident | 81.7 | Confident | 1.8 Ų | 1.8 | 42.1 Ų | 42.1 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78 | -55.4 | -179.4 | -65.9 | 174.3 | 0 | 0 | 0 | 110.8 | L1423 R1424 F1425 C1429 C1431 Y1518 F1627 L1679 | L1423-I1427 HydrophobicContact CD1-CD1 3.87Å; L1423-I1427 HydrophobicContact CD1-CG1 4.39Å; L1423-I1427 HydrophobicContact CG-CD1 3.97Å; L1423-I1427 WeakPolarHBondContact O-CB 3.43Å; L1423-I1427 VanDerWaalsContact O-CG1 3.32Å; L1423-I1427 WeakPolarHBondContact O-CG1 3.29Å; L1423-I1427 PolarHBondContact O-N 2.97Å; R1424-I1427 PolarHBondContact O-N 3.13Å; R1424-I1427 VanDerWaalsContact O-N 3.16Å; F1425-I1427 VanDerWaalsContact C-N 3.33Å; F1425-I1427 PolarHBondContact O-N 3.03Å; I1427-C1429 VanDerWaalsContact C-N 3.26Å; I1427-C1429 PolarHBondContact O-N 3.4Å; I1427-C1431 VanDerWaalsContact O-CB 3.3Å; I1427-C1431 WeakPolarHBondContact O-CB 3.36Å; I1427-C1431 PolarHBondContact O-N 2.98Å; I1427-C1431 VanDerWaalsContact O-N 3.13Å; I1427-Y1518 HydrophobicContact CB-CE1 4.48Å; I1427-Y1518 HydrophobicContact CD1-CD1 3.69Å; I1427-Y1518 HydrophobicContact CD1-CD2 4.29Å; I1427-Y1518 HydrophobicContact CD1-CE1 4Å; I1427-Y1518 HydrophobicContact CD1-CE2 4.48Å; I1427-Y1518 HydrophobicContact CD1-CG 3.83Å; I1427-Y1518 HydrophobicContact CG2-CD1 4.23Å; I1427-Y1518 HydrophobicContact CG2-CE1 3.75Å; I1427-F1627 HydrophobicContact CD1-CB 4.49Å; I1427-F1627 HydrophobicContact CD1-CD1 4.09Å; I1427-F1627 HydrophobicContact CD1-CE1 4.32Å; I1427-F1627 HydrophobicContact CD1-CG 4.17Å; I1427-F1627 HydrophobicContact CG1-CD1 4.33Å; I1427-F1627 HydrophobicContact CG1-CD2 4.23Å; I1427-F1627 HydrophobicContact CG1-CE1 4.46Å; I1427-F1627 HydrophobicContact CG1-CE2 4.33Å; I1427-F1627 HydrophobicContact CG1-CG 4.27Å; I1427-F1627 HydrophobicContact CG1-CZ 4.42Å; I1427-L1679 HydrophobicContact CG2-CB 4.38Å; I1427-L1679 HydrophobicContact CG2-CD1 3.62Å; I1427-L1679 VanDerWaalsContact CG2-CD1 3.49Å; I1427-L1679 HydrophobicContact CG2-CD2 4.17Å; I1427-L1679 HydrophobicContact CG2-CG 4.37Å |
| 1428 | D | 79.3 | Confident | 81.8 | Confident | 64.4 Ų | 64.4 | 37.5 Ų | 37.5 | 34% | 0.344 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -75.5 | -27.3 | -170.3 | -57.9 | -19.6 | 0 | 0 | 0 | 112.8 | Q1355 R1424 Y1518 | Q1355-D1428 PolarHBondContact NE2-O 3.23Å; R1424-D1428 WeakPolarHBondContact CG-OD2 3.42Å; R1424-D1428 WeakPolarHBondContact O-CA 3.39Å; R1424-D1428 VanDerWaalsContact O-CB 3.23Å; R1424-D1428 WeakPolarHBondContact O-CB 3.43Å; R1424-D1428 VanDerWaalsContact O-CG 3.27Å; R1424-D1428 PolarHBondContact O-N 3.04Å; D1428-Y1518 PolarHBondContact OD1-OH 3.09Å; D1428-Y1518 VanDerWaalsContact OD1-OH 3.07Å |
| 1429 | C | 76 | Confident | 81.8 | Confident | 44.8 Ų | 44.8 | 38.7 Ų | 38.7 | 30% | 0.303 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -107.3 | -19.3 | -176.4 | -58 | 0 | 0 | 0 | 0 | 114.6 | F1425 I1427 | F1425-C1429 HydrophobicContact CD2-CB 4.03Å; F1425-C1429 HydrophobicContact CE2-CB 4.01Å; F1425-C1429 HydrophobicContact CZ-CB 4.43Å; F1425-C1429 WeakPolarHBondContact O-CA 3.46Å; F1425-C1429 VanDerWaalsContact O-CB 3.28Å; F1425-C1429 WeakPolarHBondContact O-CB 3.4Å; F1425-C1429 PolarHBondContact O-N 2.91Å; F1425-C1429 VanDerWaalsContact O-N 3.14Å; I1427-C1429 VanDerWaalsContact C-N 3.26Å; I1427-C1429 PolarHBondContact O-N 3.4Å |
| 1430 | Q | 80 | Confident | 82 | Confident | 52.6 Ų | 52.6 | 37.1 Ų | 37.1 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -123.3 | -13 | -172.1 | -54.2 | -66 | -33.3 | 0 | 0 | 113.9 | G1401 V1405 F1425 A1426 P1682 | G1401-Q1430 VanDerWaalsContact CA-OE1 3.26Å; V1405-Q1430 HydrophobicContact CG2-CB 3.41Å; V1405-Q1430 VanDerWaalsContact CG2-CB 3.4Å; V1405-Q1430 HydrophobicContact CG2-CG 4.2Å; F1425-Q1430 HydrophobicContact CD1-CG 4.49Å; F1425-Q1430 HydrophobicContact CE1-CG 4.32Å; F1425-Q1430 PolarHBondContact O-N 2.93Å; A1426-Q1430 VanDerWaalsContact O-CB 3.3Å; A1426-Q1430 WeakPolarHBondContact O-CB 3.27Å; A1426-Q1430 PolarHBondContact O-N 3Å; Q1430-P1682 VanDerWaalsContact O-CD 3.27Å; Q1430-P1682 WeakPolarHBondContact O-CD 3.28Å |
| 1431 | C | 83.7 | Confident | 82.4 | Confident | 17.4 Ų | 17.4 | 37 Ų | 37 | 12% | 0.118 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -99.5 | 144.8 | 173.8 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | A1426 I1427 L1679 A1680 | A1426-C1431 PolarHBondContact O-N 3.32Å; A1426-C1431 PolarHBondContact O-SG 3.18Å; I1427-C1431 VanDerWaalsContact O-CB 3.3Å; I1427-C1431 WeakPolarHBondContact O-CB 3.36Å; I1427-C1431 PolarHBondContact O-N 2.98Å; I1427-C1431 VanDerWaalsContact O-N 3.13Å; C1431-L1679 HydrophobicContact CB-CB 4.24Å; C1431-A1680 CarbonylContact C-O 3.57Å; C1431-A1680 WeakPolarHBondContact CA-O 3.32Å |
| 1432 | E | 80.2 | Confident | 82.5 | Confident | 71.6 Ų | 71.6 | 36.8 Ų | 36.8 | 34% | 0.335 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 141.8 | 166 | -59.7 | -173.6 | 160.7 | 0 | 0 | 109.6 | L1679 A1680 P1682 Y1725 Q1726 | E1432-L1679 WeakPolarHBondContact O-CA 3.38Å; E1432-A1680 PolarHBondContact N-O 3.3Å; E1432-A1680 PolarHBondContact O-N 3.08Å; E1432-A1680 VanDerWaalsContact O-N 3.17Å; E1432-P1682 HydrophobicContact CG-CB 4.37Å; E1432-Y1725 PolarHBondContact OE2-OH 2.88Å; E1432-Q1726 VanDerWaalsContact CD-NE2 3.32Å; E1432-Q1726 VanDerWaalsContact OE2-CD 3.27Å; E1432-Q1726 WeakPolarHBondContact OE2-CG 3.43Å; E1432-Q1726 PolarHBondContact OE2-NE2 3.09Å |
| 1433 | E | 81.2 | Confident | 82.7 | Confident | 98.6 Ų | 98.6 | 35.9 Ų | 35.9 | 46% | 0.461 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.2 | 179.7 | -174.8 | 176.7 | -165.8 | 0 | 0 | 111.3 | T1435 N1677 L1679 | E1433-T1435 HydrophobicContact CG-CG2 4.11Å; E1433-N1677 HydrophobicContact CG-CB 4.26Å; E1433-N1677 WeakPolarHBondContact OE1-CB 3.35Å; E1433-N1677 PolarHBondContact OE1-ND2 3.14Å; E1433-L1679 HydrophobicContact CB-CD2 3.71Å; E1433-L1679 HydrophobicContact CG-CD2 3.81Å |
| 1434 | S | 81.5 | Confident | 82.7 | Confident | 5.6 Ų | 5.6 | 35.8 Ų | 35.8 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 120.4 | 171.2 | -78.1 | 0 | 0 | 0 | 0 | 110.2 | V1678 H1724 Q1726 | S1434-V1678 PolarHBondContact N-O 3.14Å; S1434-V1678 WeakPolarHBondContact O-CB 3.4Å; S1434-V1678 PolarHBondContact O-N 2.88Å; S1434-H1724 VanDerWaalsContact OG-CB 3.3Å; S1434-H1724 WeakPolarHBondContact OG-CB 3.4Å; S1434-Q1726 WeakPolarHBondContact OG-CB 3.37Å; S1434-Q1726 PolarHBondContact OG-OE1 2.96Å |
| 1435 | T | 79.7 | Confident | 82.8 | Confident | 47.6 Ų | 47.6 | 31.8 Ų | 31.8 | 29% | 0.292 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 141.6 | -175 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | E1433 F1676 N1677 | E1433-T1435 HydrophobicContact CG-CG2 4.11Å; T1435-F1676 CarbonylContact C-O 3.59Å; T1435-F1676 WeakPolarHBondContact CA-O 3.43Å; T1435-N1677 HydrophobicContact CG2-CB 4.43Å; T1435-N1677 VanDerWaalsContact CG2-OD1 3.26Å; T1435-N1677 WeakPolarHBondContact CG2-OD1 3.44Å |
| 1436 | V | 82.6 | Confident | 82.7 | Confident | 11.2 Ų | 11.2 | 31 Ų | 31 | 7% | 0.068 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.5 | 168.5 | -171.5 | 0 | 0 | 0 | 0 | 109 | F1676 I1719 F1720 A1723 L1727 Y1742 | V1436-F1676 HydrophobicContact CB-CB 4.43Å; V1436-F1676 PolarHBondContact N-O 3.34Å; V1436-F1676 PolarHBondContact O-N 3.07Å; V1436-I1719 HydrophobicContact CG1-CG2 4.28Å; V1436-F1720 HydrophobicContact CG2-CD1 4.48Å; V1436-F1720 HydrophobicContact CG2-CE1 4.13Å; V1436-A1723 HydrophobicContact CG2-CB 4.4Å; V1436-L1727 HydrophobicContact CG2-CD1 3.76Å; V1436-Y1742 HydrophobicContact CB-CD1 4.33Å; V1436-Y1742 HydrophobicContact CB-CD2 4.34Å; V1436-Y1742 HydrophobicContact CB-CE1 3.53Å; V1436-Y1742 HydrophobicContact CB-CE2 4.32Å; V1436-Y1742 HydrophobicContact CG1-CD1 3.85Å; V1436-Y1742 HydrophobicContact CG1-CD2 3.5Å; V1436-Y1742 VanDerWaalsContact CG1-CD2 3.45Å; V1436-Y1742 HydrophobicContact CG1-CE1 3.56Å; V1436-Y1742 HydrophobicContact CG1-CE2 3.66Å; V1436-Y1742 VanDerWaalsContact CG1-CE2 3.48Å; V1436-Y1742 HydrophobicContact CG1-CG 4.42Å; V1436-Y1742 HydrophobicContact CG2-CE1 4.19Å; V1436-Y1742 HydrophobicContact CG2-CE2 4.12Å; V1436-Y1742 WeakPolarHBondContact CG2-OH 3.41Å |
| 1437 | E | 84 | Confident | 82.5 | Confident | 76.2 Ų | 76.2 | 31.3 Ų | 31.3 | 36% | 0.356 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 139.8 | -171 | -58.8 | -176.7 | -173.9 | 0 | 0 | 113.2 | I1673 L1674 E1675 Y1742 S1883 | E1437-I1673 HydrophobicContact CB-CG2 3.81Å; E1437-I1673 HydrophobicContact CG-CG2 4.08Å; E1437-L1674 CarbonylContact C-O 3.42Å; E1437-L1674 WeakPolarHBondContact CA-O 3.37Å; E1437-E1675 HydrophobicContact CG-CG 4.25Å; E1437-Y1742 PolarHBondContact O-OH 2.96Å; E1437-S1883 PolarHBondContact OE2-OG 3.05Å |
| 1438 | I | 84.6 | Confident | 82.5 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.3 | 165.9 | -57.3 | -175 | 0 | 0 | 0 | 109 | I1440 L1674 F1676 Y1742 A1745 F1746 F1886 | I1438-I1440 HydrophobicContact CB-CG2 4.45Å; I1438-I1440 HydrophobicContact CG2-CG2 3.9Å; I1438-I1440 PolarHBondContact O-N 3.1Å; I1438-I1440 VanDerWaalsContact O-N 3.1Å; I1438-L1674 HydrophobicContact CB-CB 4.48Å; I1438-L1674 PolarHBondContact N-O 3.24Å; I1438-L1674 PolarHBondContact O-N 3.14Å; I1438-F1676 HydrophobicContact CD1-CD2 4.47Å; I1438-F1676 HydrophobicContact CD1-CE2 3.66Å; I1438-F1676 HydrophobicContact CD1-CZ 4.34Å; I1438-F1676 HydrophobicContact CG1-CE2 4.01Å; I1438-Y1742 HydrophobicContact CD1-CD2 3.95Å; I1438-Y1742 HydrophobicContact CD1-CE1 4.35Å; I1438-Y1742 HydrophobicContact CD1-CE2 3.65Å; I1438-Y1742 HydrophobicContact CG1-CD2 4.02Å; I1438-Y1742 HydrophobicContact CG1-CE1 4.42Å; I1438-Y1742 HydrophobicContact CG1-CE2 3.27Å; I1438-Y1742 VanDerWaalsContact CG1-CZ 3.48Å; I1438-Y1742 WeakPolarHBondContact CG1-OH 3.46Å; I1438-A1745 HydrophobicContact CD1-CB 4.24Å; I1438-F1746 HydrophobicContact CD1-CB 4.36Å; I1438-F1746 HydrophobicContact CG2-CD2 4.14Å; I1438-F1746 HydrophobicContact CG2-CE2 4.47Å; I1438-F1886 HydrophobicContact CG2-CE2 3.82Å; I1438-F1886 HydrophobicContact CG2-CZ 3.61Å |
| 1439 | D | 85.2 | Confident | 82.3 | Confident | 36.6 Ų | 36.6 | 31.4 Ų | 31.4 | 20% | 0.196 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 100.3 | 174.4 | -167.7 | -29.5 | 0 | 0 | 0 | 111.1 | T1441 R1671 H1884 F1886 | D1439-T1441 VanDerWaalsContact C-N 3.28Å; D1439-T1441 PolarHBondContact O-N 2.99Å; D1439-T1441 WeakPolarHBondContact OD1-CB 3.42Å; D1439-T1441 PolarHBondContact OD1-N 3.26Å; D1439-T1441 VanDerWaalsContact OD1-N 3.1Å; D1439-T1441 PolarHBondContact OD1-OG1 2.99Å; D1439-R1671 IonicContact OD2-CZ 3.06Å; D1439-R1671 VanDerWaalsContact OD2-CZ 3.26Å; D1439-R1671 IonicContact OD2-NE 2.94Å; D1439-R1671 PolarHBondContact OD2-NE 3.21Å; D1439-R1671 IonicContact OD2-NH2 3.28Å; D1439-R1671 PolarHBondContact OD2-NH2 2.92Å; D1439-H1884 WeakPolarHBondContact CB-O 3.4Å; D1439-H1884 PolarHBondContact N-O 2.93Å; D1439-F1886 WeakPolarHBondContact O-CD2 3.38Å; D1439-F1886 WeakPolarHBondContact O-CE2 3.38Å |
| 1440 | I | 87.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -91.9 | 12.1 | -179.1 | 63.8 | 167 | 0 | 0 | 0 | 113.3 | I1438 E1442 F1443 V1444 L1648 P1649 V1672 L1674 V1749 | I1438-I1440 HydrophobicContact CB-CG2 4.45Å; I1438-I1440 HydrophobicContact CG2-CG2 3.9Å; I1438-I1440 PolarHBondContact O-N 3.1Å; I1438-I1440 VanDerWaalsContact O-N 3.1Å; I1440-E1442 VanDerWaalsContact C-N 3.34Å; I1440-E1442 PolarHBondContact O-N 3.29Å; I1440-F1443 HydrophobicContact CB-CB 4.35Å; I1440-F1443 HydrophobicContact CB-CD1 4.39Å; I1440-F1443 WeakPolarHBondContact O-CB 3.31Å; I1440-F1443 PolarHBondContact O-N 3.04Å; I1440-F1443 VanDerWaalsContact O-N 3.13Å; I1440-V1444 HydrophobicContact CD1-CG2 4.16Å; I1440-V1444 HydrophobicContact CG1-CG2 4.31Å; I1440-V1444 WeakPolarHBondContact O-CG2 3.36Å; I1440-V1444 PolarHBondContact O-N 3.23Å; I1440-L1648 HydrophobicContact CD1-CD1 4.45Å; I1440-L1648 HydrophobicContact CG2-CD1 4.47Å; I1440-P1649 HydrophobicContact CD1-CB 4.25Å; I1440-P1649 HydrophobicContact CD1-CG 4.19Å; I1440-V1672 CarbonylContact C-O 3.43Å; I1440-V1672 HydrophobicContact CD1-CG1 3.79Å; I1440-V1672 HydrophobicContact CG1-CB 4.07Å; I1440-V1672 HydrophobicContact CG1-CG1 3.65Å; I1440-V1672 VanDerWaalsContact CG1-O 3.3Å; I1440-V1672 WeakPolarHBondContact CG1-O 3.38Å; I1440-V1672 PolarHBondContact N-O 3.13Å; I1440-L1674 HydrophobicContact CD1-CB 4.21Å; I1440-L1674 HydrophobicContact CG1-CB 4.4Å; I1440-L1674 HydrophobicContact CG2-CB 4Å; I1440-V1749 HydrophobicContact CG2-CG1 4.23Å; I1440-V1749 HydrophobicContact CG2-CG2 4.28Å | ||
| 1441 | T | 86 | Confident | 82.4 | Confident | 22.8 Ų | 22.8 | 27.5 Ų | 27.5 | 14% | 0.14 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57 | -45.2 | -177.4 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | D1439 F1443 V1444 N1445 V1670 R1671 V1672 | D1439-T1441 VanDerWaalsContact C-N 3.28Å; D1439-T1441 PolarHBondContact O-N 2.99Å; D1439-T1441 WeakPolarHBondContact OD1-CB 3.42Å; D1439-T1441 PolarHBondContact OD1-N 3.26Å; D1439-T1441 VanDerWaalsContact OD1-N 3.1Å; D1439-T1441 PolarHBondContact OD1-OG1 2.99Å; T1441-F1443 VanDerWaalsContact C-N 3.32Å; T1441-F1443 PolarHBondContact O-N 2.87Å; T1441-V1444 PolarHBondContact O-N 2.87Å; T1441-N1445 VanDerWaalsContact O-CB 3.26Å; T1441-N1445 WeakPolarHBondContact O-CB 3.35Å; T1441-N1445 VanDerWaalsContact O-CG 3.29Å; T1441-N1445 PolarHBondContact O-N 3.19Å; T1441-N1445 VanDerWaalsContact O-N 3.1Å; T1441-N1445 PolarHBondContact O-ND2 3.11Å; T1441-V1670 WeakPolarHBondContact CG2-O 3.37Å; T1441-R1671 WeakPolarHBondContact OG1-CA 3.3Å; T1441-R1671 VanDerWaalsContact OG1-CG 3.32Å; T1441-R1671 WeakPolarHBondContact OG1-CG 3.32Å; T1441-V1672 PolarHBondContact N-O 3.16Å; T1441-V1672 VanDerWaalsContact N-O 3.17Å; T1441-V1672 PolarHBondContact OG1-N 3.22Å; T1441-V1672 PolarHBondContact OG1-O 3.06Å |
| 1442 | E | 83.9 | Confident | 81.9 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 19% | 0.192 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 178.1 | -175.9 | 174 | -171.8 | 0 | 0 | 111.8 | I1440 N1445 T1446 R1750 I1753 Y1757 F1886 R1897 | I1440-E1442 VanDerWaalsContact C-N 3.34Å; I1440-E1442 PolarHBondContact O-N 3.29Å; E1442-N1445 PolarHBondContact O-N 3.14Å; E1442-T1446 HydrophobicContact CG-CG2 4.29Å; E1442-T1446 WeakPolarHBondContact O-CB 3.36Å; E1442-T1446 VanDerWaalsContact O-CG2 3.25Å; E1442-T1446 WeakPolarHBondContact O-CG2 3.4Å; E1442-T1446 PolarHBondContact O-N 3.09Å; E1442-T1446 PolarHBondContact O-OG1 3.1Å; E1442-R1750 IonicContact OE1-NH1 2.7Å; E1442-R1750 IonicContact OE2-CZ 3.02Å; E1442-R1750 IonicContact OE2-NH1 3.17Å; E1442-R1750 PolarHBondContact OE2-NH1 3.42Å; E1442-R1750 IonicContact OE2-NH2 3.92Å; E1442-I1753 HydrophobicContact CB-CD1 4.11Å; E1442-I1753 HydrophobicContact CG-CD1 4.01Å; E1442-I1753 HydrophobicContact CG-CG1 4.32Å; E1442-I1753 HydrophobicContact CG-CG2 4.14Å; E1442-I1753 WeakPolarHBondContact OE1-CG2 3.26Å; E1442-Y1757 VanDerWaalsContact OE1-CE1 3.31Å; E1442-Y1757 WeakPolarHBondContact OE1-CE1 3.33Å; E1442-Y1757 PolarHBondContact OE1-OH 3.2Å; E1442-F1886 WeakPolarHBondContact OE2-CB 3.26Å; E1442-R1897 IonicContact OE1-CZ 3.07Å; E1442-R1897 IonicContact OE1-NH1 3.3Å; E1442-R1897 PolarHBondContact OE1-NH1 3.29Å |
| 1443 | F | 86.4 | Confident | 81.5 | Confident | 0.4 Ų | 0.4 | 30.1 Ų | 30.1 | 0% | 0.002 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 177.8 | 168.4 | -94 | 0 | 0 | 0 | 112 | I1440 T1441 N1445 T1446 L1447 T1497 L1648 P1649 T1650 V1749 E1752 I1753 | I1440-F1443 HydrophobicContact CB-CB 4.35Å; I1440-F1443 HydrophobicContact CB-CD1 4.39Å; I1440-F1443 WeakPolarHBondContact O-CB 3.31Å; I1440-F1443 PolarHBondContact O-N 3.04Å; I1440-F1443 VanDerWaalsContact O-N 3.13Å; T1441-F1443 VanDerWaalsContact C-N 3.32Å; T1441-F1443 PolarHBondContact O-N 2.87Å; F1443-N1445 VanDerWaalsContact C-N 3.33Å; F1443-N1445 PolarHBondContact O-N 3.04Å; F1443-T1446 WeakPolarHBondContact CA-OG1 3.4Å; F1443-T1446 PolarHBondContact O-N 3.22Å; F1443-T1446 VanDerWaalsContact O-N 3.11Å; F1443-T1446 PolarHBondContact O-OG1 2.89Å; F1443-L1447 HydrophobicContact CD1-CD1 4.17Å; F1443-L1447 HydrophobicContact CD2-CD1 3.6Å; F1443-L1447 HydrophobicContact CE1-CD1 4.02Å; F1443-L1447 HydrophobicContact CE1-CD2 4.33Å; F1443-L1447 HydrophobicContact CE2-CD1 3.29Å; F1443-L1447 HydrophobicContact CE2-CD2 3.73Å; F1443-L1447 HydrophobicContact CE2-CG 4.29Å; F1443-L1447 HydrophobicContact CG-CD1 4.09Å; F1443-L1447 HydrophobicContact CZ-CD1 3.68Å; F1443-L1447 HydrophobicContact CZ-CD2 3.67Å; F1443-L1447 WeakPolarHBondContact O-CB 3.41Å; F1443-L1447 PolarHBondContact O-N 2.91Å; F1443-T1497 HydrophobicContact CE2-CG2 4.13Å; F1443-T1497 HydrophobicContact CZ-CG2 3.97Å; F1443-L1648 HydrophobicContact CD1-CD2 4.45Å; F1443-L1648 HydrophobicContact CE1-CD1 4.44Å; F1443-L1648 HydrophobicContact CE1-CD2 3.69Å; F1443-L1648 HydrophobicContact CE1-CG 3.83Å; F1443-L1648 HydrophobicContact CE2-CD2 4.09Å; F1443-L1648 HydrophobicContact CZ-CD2 3.38Å; F1443-L1648 VanDerWaalsContact CZ-CD2 3.42Å; F1443-L1648 HydrophobicContact CZ-CG 4.01Å; F1443-P1649 WeakPolarHBondContact CE1-O 3.26Å; F1443-T1650 HydrophobicContact CE1-CG2 4.08Å; F1443-T1650 HydrophobicContact CZ-CG2 4Å; F1443-V1749 HydrophobicContact CB-CG1 3.61Å; F1443-V1749 VanDerWaalsContact CB-CG1 3.49Å; F1443-V1749 HydrophobicContact CD1-CG1 4.49Å; F1443-V1749 HydrophobicContact CD2-CB 4.27Å; F1443-V1749 HydrophobicContact CD2-CG1 3.9Å; F1443-V1749 HydrophobicContact CD2-CG2 4.4Å; F1443-V1749 WeakPolarHBondContact CD2-O 3.35Å; F1443-V1749 HydrophobicContact CE2-CG1 4.42Å; F1443-V1749 HydrophobicContact CG-CG1 3.84Å; F1443-E1752 HydrophobicContact CD2-CB 3.9Å; F1443-E1752 HydrophobicContact CD2-CG 4.4Å; F1443-E1752 HydrophobicContact CE2-CB 3.62Å; F1443-E1752 VanDerWaalsContact CE2-CB 3.48Å; F1443-E1752 HydrophobicContact CE2-CG 3.96Å; F1443-I1753 HydrophobicContact CB-CD1 4.06Å; F1443-I1753 HydrophobicContact CB-CG1 4.05Å; F1443-I1753 HydrophobicContact CD2-CG1 4.49Å |
| 1444 | V | 85.6 | Confident | 81 | Confident | 0.6 Ų | 0.6 | 26.5 Ų | 26.5 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 178.1 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | I1440 T1441 T1446 L1447 C1448 P1649 L1652 V1672 | I1440-V1444 HydrophobicContact CD1-CG2 4.16Å; I1440-V1444 HydrophobicContact CG1-CG2 4.31Å; I1440-V1444 WeakPolarHBondContact O-CG2 3.36Å; I1440-V1444 PolarHBondContact O-N 3.23Å; T1441-V1444 PolarHBondContact O-N 2.87Å; V1444-T1446 VanDerWaalsContact C-N 3.29Å; V1444-T1446 PolarHBondContact O-N 3.1Å; V1444-L1447 PolarHBondContact O-N 2.81Å; V1444-C1448 HydrophobicContact CG1-CB 4.42Å; V1444-C1448 WeakPolarHBondContact O-CB 3.26Å; V1444-C1448 PolarHBondContact O-N 3.13Å; V1444-P1649 WeakPolarHBondContact CG2-O 3.23Å; V1444-L1652 HydrophobicContact CG1-CB 3.78Å; V1444-L1652 HydrophobicContact CG1-CD1 4.11Å; V1444-L1652 HydrophobicContact CG1-CG 4.48Å; V1444-V1672 HydrophobicContact CG2-CG1 4.42Å |
| 1445 | N | 82.6 | Confident | 80.6 | Confident | 30.8 Ų | 30.8 | 29.1 Ų | 29.1 | 17% | 0.165 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -25.6 | 178.5 | -81.3 | -34.7 | 0 | 0 | 0 | 114.2 | T1441 E1442 F1443 V1451 | T1441-N1445 VanDerWaalsContact O-CB 3.26Å; T1441-N1445 WeakPolarHBondContact O-CB 3.35Å; T1441-N1445 VanDerWaalsContact O-CG 3.29Å; T1441-N1445 PolarHBondContact O-N 3.19Å; T1441-N1445 VanDerWaalsContact O-N 3.1Å; T1441-N1445 PolarHBondContact O-ND2 3.11Å; E1442-N1445 PolarHBondContact O-N 3.14Å; F1443-N1445 VanDerWaalsContact C-N 3.33Å; F1443-N1445 PolarHBondContact O-N 3.04Å; N1445-V1451 HydrophobicContact CB-CG1 4.47Å; N1445-V1451 WeakPolarHBondContact OD1-CG1 3.37Å |
| 1446 | T | 78.8 | Confident | 79.9 | Confident | 23 Ų | 23 | 31.9 Ų | 31.9 | 14% | 0.141 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -90.3 | -34.5 | 179.3 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | E1442 F1443 V1444 K1452 I1753 A1756 | E1442-T1446 HydrophobicContact CG-CG2 4.29Å; E1442-T1446 WeakPolarHBondContact O-CB 3.36Å; E1442-T1446 VanDerWaalsContact O-CG2 3.25Å; E1442-T1446 WeakPolarHBondContact O-CG2 3.4Å; E1442-T1446 PolarHBondContact O-N 3.09Å; E1442-T1446 PolarHBondContact O-OG1 3.1Å; F1443-T1446 WeakPolarHBondContact CA-OG1 3.4Å; F1443-T1446 PolarHBondContact O-N 3.22Å; F1443-T1446 VanDerWaalsContact O-N 3.11Å; F1443-T1446 PolarHBondContact O-OG1 2.89Å; V1444-T1446 VanDerWaalsContact C-N 3.29Å; V1444-T1446 PolarHBondContact O-N 3.1Å; T1446-K1452 VanDerWaalsContact O-CE 3.28Å; T1446-K1452 WeakPolarHBondContact O-CE 3.46Å; T1446-K1452 PolarHBondContact O-NZ 3.44Å; T1446-I1753 HydrophobicContact CG2-CG2 4.46Å; T1446-A1756 HydrophobicContact CG2-CB 4.12Å |
| 1447 | L | 79.6 | Confident | 79.1 | Confident | 7.8 Ų | 7.8 | 34.9 Ų | 34.9 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -92.1 | -27.7 | -176.5 | -102.2 | 123.9 | 0 | 0 | 0 | 114.4 | F1443 V1444 N1449 K1452 R1493 Q1494 T1650 E1752 A1756 | F1443-L1447 HydrophobicContact CD1-CD1 4.17Å; F1443-L1447 HydrophobicContact CD2-CD1 3.6Å; F1443-L1447 HydrophobicContact CE1-CD1 4.02Å; F1443-L1447 HydrophobicContact CE1-CD2 4.33Å; F1443-L1447 HydrophobicContact CE2-CD1 3.29Å; F1443-L1447 HydrophobicContact CE2-CD2 3.73Å; F1443-L1447 HydrophobicContact CE2-CG 4.29Å; F1443-L1447 HydrophobicContact CG-CD1 4.09Å; F1443-L1447 HydrophobicContact CZ-CD1 3.68Å; F1443-L1447 HydrophobicContact CZ-CD2 3.67Å; F1443-L1447 WeakPolarHBondContact O-CB 3.41Å; F1443-L1447 PolarHBondContact O-N 2.91Å; V1444-L1447 PolarHBondContact O-N 2.81Å; L1447-N1449 PolarHBondContact O-N 2.82Å; L1447-K1452 PolarHBondContact O-NZ 3.44Å; L1447-R1493 HydrophobicContact CD2-CB 4.15Å; L1447-R1493 HydrophobicContact CD2-CG 4.13Å; L1447-Q1494 HydrophobicContact CD1-CG 4.49Å; L1447-Q1494 HydrophobicContact CD2-CB 4.42Å; L1447-Q1494 HydrophobicContact CD2-CG 3.73Å; L1447-Q1494 HydrophobicContact CG-CG 3.77Å; L1447-Q1494 PolarHBondContact O-NE2 3.16Å; L1447-Q1494 VanDerWaalsContact O-NE2 3.09Å; L1447-T1650 HydrophobicContact CD2-CG2 3.95Å; L1447-E1752 HydrophobicContact CD1-CB 3.8Å; L1447-E1752 VanDerWaalsContact CD1-CB 3.47Å; L1447-E1752 HydrophobicContact CD1-CG 3.62Å; L1447-E1752 HydrophobicContact CD2-CB 4.49Å; L1447-A1756 HydrophobicContact CD2-CB 4.48Å |
| 1448 | C | 83.3 | Confident | 78 | Confident | 0.6 Ų | 0.6 | 33.9 Ų | 33.9 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | trans | -72.3 | 114.5 | -177.6 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | V1444 H1450 V1451 K1452 L1652 | V1444-C1448 HydrophobicContact CG1-CB 4.42Å; V1444-C1448 WeakPolarHBondContact O-CB 3.26Å; V1444-C1448 PolarHBondContact O-N 3.13Å; C1448-H1450 VanDerWaalsContact C-N 3.28Å; C1448-H1450 PolarHBondContact O-N 3.15Å; C1448-V1451 HydrophobicContact CB-CB 4.1Å; C1448-V1451 HydrophobicContact CB-CG2 3.81Å; C1448-V1451 PolarHBondContact O-N 3.3Å; C1448-K1452 PolarHBondContact O-N 2.92Å; C1448-K1452 VanDerWaalsContact O-N 3.16Å; C1448-L1652 PolarHBondContact SG-N 3.24Å; C1448-L1652 VanDerWaalsContact SG-N 3.42Å | ||
| 1449 | N | 76.4 | Confident | 76.6 | Confident | 66.2 Ų | 66.2 | 37.7 Ų | 37.7 | 35% | 0.354 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.6 | -32.2 | 177.4 | -74.1 | -16 | 0 | 0 | 0 | 112.2 | L1447 V1451 K1452 T1453 C1489 | L1447-N1449 PolarHBondContact O-N 2.82Å; N1449-V1451 VanDerWaalsContact C-N 3.34Å; N1449-V1451 PolarHBondContact O-N 3.03Å; N1449-K1452 WeakPolarHBondContact O-CB 3.31Å; N1449-K1452 PolarHBondContact O-N 2.95Å; N1449-K1452 VanDerWaalsContact O-N 3.17Å; N1449-K1452 PolarHBondContact OD1-NZ 3.39Å; N1449-T1453 PolarHBondContact O-N 3.03Å; N1449-T1453 PolarHBondContact O-OG1 2.86Å; N1449-T1453 VanDerWaalsContact O-OG1 3.09Å; N1449-C1489 PolarHBondContact N-SG 3.12Å; N1449-C1489 VanDerWaalsContact N-SG 3.44Å |
| 1450 | H | 79.6 | Confident | 74.9 | Confident | 16.2 Ų | 16.2 | 39.9 Ų | 39.9 | 8% | 0.075 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.4 | -55.5 | 112 | 0 | 0 | 0 | 112.2 | C1448 K1452 T1453 Y1454 L1483 G1486 P1487 C1489 C1651 N1653 | C1448-H1450 VanDerWaalsContact C-N 3.28Å; C1448-H1450 PolarHBondContact O-N 3.15Å; H1450-K1452 VanDerWaalsContact C-N 3.29Å; H1450-K1452 PolarHBondContact O-N 3.1Å; H1450-T1453 PolarHBondContact O-N 2.89Å; H1450-Y1454 WeakPolarHBondContact O-CB 3.37Å; H1450-Y1454 PolarHBondContact O-N 3.21Å; H1450-L1483 HydrophobicContact CB-CD2 3.77Å; H1450-L1483 HydrophobicContact CB-CG 4.41Å; H1450-L1483 WeakPolarHBondContact O-CD2 3.33Å; H1450-G1486 PolarHBondContact NE2-O 3.19Å; H1450-P1487 PolarHBondContact CE1-O 3.06Å; H1450-P1487 VanDerWaalsContact CE1-O 3.28Å; H1450-P1487 PolarHBondContact NE2-O 3.26Å; H1450-C1489 VanDerWaalsContact CE1-CB 3.47Å; H1450-C1489 WeakPolarHBondContact CE1-CB 3.33Å; H1450-C1489 PolarHBondContact CE1-N 3.46Å; H1450-C1489 PolarHBondContact CE1-SG 3.46Å; H1450-C1489 PolarHBondContact ND1-SG 3.28Å; H1450-C1651 PolarHBondContact ND1-SG 3.04Å; H1450-C1651 VanDerWaalsContact ND1-SG 3.38Å; H1450-N1653 HydrophobicContact CB-CB 4.29Å; H1450-N1653 PolarHBondContact CE1-ND2 3.23Å; H1450-N1653 VanDerWaalsContact CE1-ND2 3.28Å; H1450-N1653 WeakPolarHBondContact ND1-CB 3.39Å; H1450-N1653 PolarHBondContact NE2-ND2 2.92Å |
| 1451 | V | 77.9 | Confident | 72.9 | Confident | 0.8 Ų | 0.8 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.4 | -39.5 | 176 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | N1445 C1448 N1449 Y1454 K1455 L1483 L1652 L1667 | N1445-V1451 HydrophobicContact CB-CG1 4.47Å; N1445-V1451 WeakPolarHBondContact OD1-CG1 3.37Å; C1448-V1451 HydrophobicContact CB-CB 4.1Å; C1448-V1451 HydrophobicContact CB-CG2 3.81Å; C1448-V1451 PolarHBondContact O-N 3.3Å; N1449-V1451 VanDerWaalsContact C-N 3.34Å; N1449-V1451 PolarHBondContact O-N 3.03Å; V1451-Y1454 PolarHBondContact O-N 3.09Å; V1451-K1455 HydrophobicContact CG1-CD 4.24Å; V1451-K1455 HydrophobicContact CG1-CG 4.46Å; V1451-K1455 WeakPolarHBondContact O-CB 3.44Å; V1451-K1455 WeakPolarHBondContact O-CG 3.39Å; V1451-K1455 PolarHBondContact O-N 3.08Å; V1451-L1483 HydrophobicContact CG2-CD1 4.48Å; V1451-L1483 HydrophobicContact CG2-CD2 4.37Å; V1451-L1652 HydrophobicContact CG2-CB 3.84Å; V1451-L1652 HydrophobicContact CG2-CD2 3.8Å; V1451-L1652 HydrophobicContact CG2-CG 4.47Å; V1451-L1667 HydrophobicContact CG1-CD1 4.3Å |
| 1452 | K | 72.4 | Confident | 70.9 | Confident | 65.2 Ų | 65.2 | 46.6 Ų | 46.6 | 28% | 0.283 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 174.1 | -111.2 | 178.1 | -176.4 | 171.2 | 0 | 111.6 | T1446 L1447 C1448 N1449 H1450 Y1454 K1455 Q1456 | T1446-K1452 VanDerWaalsContact O-CE 3.28Å; T1446-K1452 WeakPolarHBondContact O-CE 3.46Å; T1446-K1452 PolarHBondContact O-NZ 3.44Å; L1447-K1452 PolarHBondContact O-NZ 3.44Å; C1448-K1452 PolarHBondContact O-N 2.92Å; C1448-K1452 VanDerWaalsContact O-N 3.16Å; N1449-K1452 WeakPolarHBondContact O-CB 3.31Å; N1449-K1452 PolarHBondContact O-N 2.95Å; N1449-K1452 VanDerWaalsContact O-N 3.17Å; N1449-K1452 PolarHBondContact OD1-NZ 3.39Å; H1450-K1452 VanDerWaalsContact C-N 3.29Å; H1450-K1452 PolarHBondContact O-N 3.1Å; K1452-Y1454 VanDerWaalsContact C-N 3.31Å; K1452-Y1454 PolarHBondContact O-N 2.99Å; K1452-K1455 PolarHBondContact O-N 2.78Å; K1452-Q1456 WeakPolarHBondContact O-CB 3.36Å; K1452-Q1456 VanDerWaalsContact O-CG 3.3Å; K1452-Q1456 WeakPolarHBondContact O-CG 3.37Å; K1452-Q1456 PolarHBondContact O-N 2.97Å; K1452-Q1456 VanDerWaalsContact O-N 3.1Å |
| 1453 | T | 72.1 | Confident | 68.5 | Low | 77.4 Ų | 77.4 | 48.3 Ų | 48.3 | 48% | 0.475 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 177.8 | -50.7 | 0 | 0 | 0 | 0 | 111.2 | N1449 H1450 K1455 Q1456 T1457 | N1449-T1453 PolarHBondContact O-N 3.03Å; N1449-T1453 PolarHBondContact O-OG1 2.86Å; N1449-T1453 VanDerWaalsContact O-OG1 3.09Å; H1450-T1453 PolarHBondContact O-N 2.89Å; T1453-K1455 PolarHBondContact O-N 2.89Å; T1453-Q1456 WeakPolarHBondContact O-CB 3.43Å; T1453-Q1456 PolarHBondContact O-N 3.12Å; T1453-Q1456 VanDerWaalsContact O-N 3.16Å; T1453-T1457 WeakPolarHBondContact O-CG2 3.37Å; T1453-T1457 PolarHBondContact O-N 3.19Å; T1453-T1457 VanDerWaalsContact O-N 3.12Å; T1453-T1457 PolarHBondContact O-OG1 3.05Å; T1453-T1457 VanDerWaalsContact O-OG1 3.1Å |
| 1454 | Y | 71.6 | Confident | 66 | Low | 24.2 Ų | 24.2 | 53.2 Ų | 53.2 | 10% | 0.095 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 176.8 | 179.9 | -91.3 | 0 | 0 | 0 | 112.5 | H1450 V1451 K1452 Q1456 T1457 N1458 D1461 L1482 L1483 W1664 L1667 | H1450-Y1454 WeakPolarHBondContact O-CB 3.37Å; H1450-Y1454 PolarHBondContact O-N 3.21Å; V1451-Y1454 PolarHBondContact O-N 3.09Å; K1452-Y1454 VanDerWaalsContact C-N 3.31Å; K1452-Y1454 PolarHBondContact O-N 2.99Å; Y1454-Q1456 PolarHBondContact O-N 3.14Å; Y1454-T1457 WeakPolarHBondContact CA-OG1 3.41Å; Y1454-T1457 PolarHBondContact O-N 3.09Å; Y1454-T1457 VanDerWaalsContact O-N 3.13Å; Y1454-T1457 PolarHBondContact O-OG1 3.12Å; Y1454-N1458 HydrophobicContact CE1-CB 4.3Å; Y1454-N1458 HydrophobicContact CE2-CB 4.42Å; Y1454-N1458 VanDerWaalsContact CE2-ND2 3.32Å; Y1454-N1458 WeakPolarHBondContact CE2-ND2 3.31Å; Y1454-N1458 VanDerWaalsContact CZ-ND2 3.28Å; Y1454-N1458 PolarHBondContact O-N 2.95Å; Y1454-N1458 PolarHBondContact OH-ND2 3.17Å; Y1454-D1461 VanDerWaalsContact CE1-OD2 3.3Å; Y1454-D1461 WeakPolarHBondContact CE1-OD2 3.34Å; Y1454-D1461 VanDerWaalsContact CZ-OD2 3.26Å; Y1454-D1461 PolarHBondContact OH-OD2 3.09Å; Y1454-L1482 HydrophobicContact CD2-CB 4.36Å; Y1454-L1483 HydrophobicContact CD1-CD1 4.14Å; Y1454-L1483 HydrophobicContact CD2-CB 4.23Å; Y1454-L1483 HydrophobicContact CD2-CD1 3.79Å; Y1454-L1483 HydrophobicContact CD2-CD2 4.4Å; Y1454-L1483 HydrophobicContact CD2-CG 3.95Å; Y1454-L1483 HydrophobicContact CE2-CD1 4.11Å; Y1454-L1483 HydrophobicContact CE2-CG 4.43Å; Y1454-L1483 HydrophobicContact CG-CB 4.46Å; Y1454-L1483 HydrophobicContact CG-CD1 3.83Å; Y1454-L1483 HydrophobicContact CG-CD2 4.34Å; Y1454-L1483 HydrophobicContact CG-CG 4.09Å; Y1454-W1664 HydrophobicContact CD1-CH2 4.23Å; Y1454-W1664 HydrophobicContact CD2-CH2 4.28Å; Y1454-W1664 HydrophobicContact CD2-CZ2 4.49Å; Y1454-W1664 AromaticContact CE1-CH2 3.73Å; Y1454-W1664 HydrophobicContact CE1-CH2 4.01Å; Y1454-W1664 HydrophobicContact CE1-CZ3 4.38Å; Y1454-W1664 AromaticContact CE2-CH2 3.77Å; Y1454-W1664 HydrophobicContact CE2-CH2 3.77Å; Y1454-W1664 AromaticContact CE2-CZ2 3.96Å; Y1454-W1664 HydrophobicContact CE2-CZ2 4.13Å; Y1454-W1664 AromaticContact CZ-CH2 3.66Å; Y1454-W1664 AromaticContact CZ-NE1 3.9Å; Y1454-L1667 HydrophobicContact CD1-CD1 3.46Å; Y1454-L1667 HydrophobicContact CD1-CG 4.32Å; Y1454-L1667 HydrophobicContact CE1-CD1 3.7Å; Y1454-L1667 HydrophobicContact CE1-CG 4.15Å; Y1454-L1667 HydrophobicContact CG-CD1 4.35Å |
| 1455 | K | 71.6 | Confident | 63.4 | Low | 59.8 Ų | 59.8 | 60.6 Ų | 60.6 | 26% | 0.26 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.2 | -28.1 | 178.1 | -73.2 | -176.8 | 177.2 | -178.2 | 0 | 112.8 | V1451 K1452 T1453 L1667 N1898 L1901 | V1451-K1455 HydrophobicContact CG1-CD 4.24Å; V1451-K1455 HydrophobicContact CG1-CG 4.46Å; V1451-K1455 WeakPolarHBondContact O-CB 3.44Å; V1451-K1455 WeakPolarHBondContact O-CG 3.39Å; V1451-K1455 PolarHBondContact O-N 3.08Å; K1452-K1455 PolarHBondContact O-N 2.78Å; T1453-K1455 PolarHBondContact O-N 2.89Å; K1455-L1667 HydrophobicContact CG-CD1 4.32Å; K1455-N1898 PolarHBondContact NZ-OD1 3.26Å; K1455-L1901 HydrophobicContact CD-CD1 4.26Å |
| 1456 | Q | 66.8 | Low | 60.9 | Low | 106.4 Ų | 106.4 | 63.2 Ų | 63.2 | 50% | 0.497 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -74 | -35 | 173.1 | -72.8 | 171.8 | -15.4 | 0 | 0 | 112.6 | K1452 T1453 Y1454 L1901 | K1452-Q1456 WeakPolarHBondContact O-CB 3.36Å; K1452-Q1456 VanDerWaalsContact O-CG 3.3Å; K1452-Q1456 WeakPolarHBondContact O-CG 3.37Å; K1452-Q1456 PolarHBondContact O-N 2.97Å; K1452-Q1456 VanDerWaalsContact O-N 3.1Å; T1453-Q1456 WeakPolarHBondContact O-CB 3.43Å; T1453-Q1456 PolarHBondContact O-N 3.12Å; T1453-Q1456 VanDerWaalsContact O-N 3.16Å; Y1454-Q1456 PolarHBondContact O-N 3.14Å; Q1456-L1901 WeakPolarHBondContact CG-O 3.3Å; Q1456-L1901 PolarHBondContact NE2-O 3.44Å |
| 1457 | T | 64.8 | Low | 58.6 | Low | 73 Ų | 73 | 66.6 Ų | 66.6 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -82.5 | -29.5 | 179.4 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | T1453 Y1454 P1459 L1482 | T1453-T1457 WeakPolarHBondContact O-CG2 3.37Å; T1453-T1457 PolarHBondContact O-N 3.19Å; T1453-T1457 VanDerWaalsContact O-N 3.12Å; T1453-T1457 PolarHBondContact O-OG1 3.05Å; T1453-T1457 VanDerWaalsContact O-OG1 3.1Å; Y1454-T1457 WeakPolarHBondContact CA-OG1 3.41Å; Y1454-T1457 PolarHBondContact O-N 3.09Å; Y1454-T1457 VanDerWaalsContact O-N 3.13Å; Y1454-T1457 PolarHBondContact O-OG1 3.12Å; T1457-P1459 VanDerWaalsContact C-CD 3.44Å; T1457-P1459 VanDerWaalsContact O-CD 3.31Å; T1457-P1459 WeakPolarHBondContact O-CD 3.34Å; T1457-L1482 HydrophobicContact CG2-CD1 4.16Å; T1457-L1482 WeakPolarHBondContact OG1-CD1 3.33Å |
| 1458 | N | 61.2 | Low | 56.3 | Low | 56.4 Ų | 56.4 | 73.6 Ų | 73.6 | 30% | 0.302 | 45% | 0.45 | S | S | . | . | trans | -121.4 | 71.3 | -180 | -71.4 | -12.8 | 0 | 0 | 0 | 111.6 | Y1454 S1460 D1461 | Y1454-N1458 HydrophobicContact CE1-CB 4.3Å; Y1454-N1458 HydrophobicContact CE2-CB 4.42Å; Y1454-N1458 VanDerWaalsContact CE2-ND2 3.32Å; Y1454-N1458 WeakPolarHBondContact CE2-ND2 3.31Å; Y1454-N1458 VanDerWaalsContact CZ-ND2 3.28Å; Y1454-N1458 PolarHBondContact O-N 2.95Å; Y1454-N1458 PolarHBondContact OH-ND2 3.17Å; N1458-S1460 PolarHBondContact O-N 3.15Å; N1458-D1461 PolarHBondContact O-N 3.32Å | ||
| 1459 | P | 54.6 | Low | 53.8 | Low | 82.6 Ų | 82.6 | 79.5 Ų | 79.5 | 54% | 0.536 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -70.6 | -11.1 | 178.6 | 28.1 | -34 | 0 | 0 | 0 | 113.7 | T1457 D1461 S1462 | T1457-P1459 VanDerWaalsContact C-CD 3.44Å; T1457-P1459 VanDerWaalsContact O-CD 3.31Å; T1457-P1459 WeakPolarHBondContact O-CD 3.34Å; P1459-D1461 VanDerWaalsContact C-N 3.33Å; P1459-D1461 PolarHBondContact O-N 3.22Å; P1459-S1462 PolarHBondContact O-OG 3.42Å |
| 1460 | S | 50.6 | Low | 51.6 | Low | 82 Ų | 82 | 87.7 Ų | 87.7 | 57% | 0.573 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -76.6 | -13.5 | -177.1 | 50 | 0 | 0 | 0 | 0 | 115.1 | N1458 S1462 A1463 | N1458-S1460 PolarHBondContact O-N 3.15Å; S1460-S1462 VanDerWaalsContact C-N 3.35Å; S1460-S1462 PolarHBondContact O-N 3.23Å; S1460-A1463 CarbonylContact O-C 3.56Å; S1460-A1463 PolarHBondContact O-N 3Å |
| 1461 | D | 45.8 | Very low | 49.2 | Very low | 66.8 Ų | 66.8 | 95.4 Ų | 95.4 | 36% | 0.357 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -75.4 | 0.7 | -173.7 | -71.3 | -8.3 | 0 | 0 | 0 | 113.7 | Y1454 N1458 P1459 | Y1454-D1461 VanDerWaalsContact CE1-OD2 3.3Å; Y1454-D1461 WeakPolarHBondContact CE1-OD2 3.34Å; Y1454-D1461 VanDerWaalsContact CZ-OD2 3.26Å; Y1454-D1461 PolarHBondContact OH-OD2 3.09Å; N1458-D1461 PolarHBondContact O-N 3.32Å; P1459-D1461 VanDerWaalsContact C-N 3.33Å; P1459-D1461 PolarHBondContact O-N 3.22Å |
| 1462 | S | 42.9 | Very low | 46.7 | Very low | 96.6 Ų | 96.6 | 98.7 Ų | 98.7 | 68% | 0.676 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -94.6 | 7.5 | 174 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | P1459 S1460 | P1459-S1462 PolarHBondContact O-OG 3.42Å; S1460-S1462 VanDerWaalsContact C-N 3.35Å; S1460-S1462 PolarHBondContact O-N 3.23Å |
| 1463 | A | 34 | Very low | 44.6 | Very low | 77.2 Ų | 77.2 | 104.6 Ų | 104.6 | 64% | 0.638 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -137.9 | 107.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1460 D1465 | S1460-A1463 CarbonylContact O-C 3.56Å; S1460-A1463 PolarHBondContact O-N 3Å; A1463-D1465 PolarHBondContact O-N 3.26Å |
| 1464 | S | 32.7 | Very low | 42.6 | Very low | 104.6 Ų | 104.6 | 110.4 Ų | 110.4 | 73% | 0.731 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -38.8 | 113.3 | 170.3 | 81.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1465 | D | 31.5 | Very low | 40.5 | Very low | 154 Ų | 154 | 112.9 Ų | 112.9 | 82% | 0.824 | 67% | 0.672 | S | S | * | * | trans | -179.6 | 16.2 | 166 | -76 | -8.9 | 0 | 0 | 0 | 116.3 | A1463 A1467 | A1463-D1465 PolarHBondContact O-N 3.26Å; D1465-A1467 VanDerWaalsContact C-N 3.33Å; D1465-A1467 PolarHBondContact O-N 3.37Å | ||
| 1466 | A | 30.2 | Very low | 38.5 | Very low | 87.4 Ų | 87.4 | 114.6 Ų | 114.6 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | trans | -105.2 | 21 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N1468 | A1466-N1468 VanDerWaalsContact C-N 3.3Å; A1466-N1468 PolarHBondContact O-N 3.2Å | ||
| 1467 | A | 31.4 | Very low | 36.9 | Very low | 94 Ų | 94 | 116.3 Ų | 116.3 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 0.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | D1465 | D1465-A1467 VanDerWaalsContact C-N 3.33Å; D1465-A1467 PolarHBondContact O-N 3.37Å |
| 1468 | N | 31.1 | Very low | 35.5 | Very low | 154.2 Ų | 154.2 | 120.3 Ų | 120.3 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 24.3 | -170.2 | -80.4 | -22.5 | 0 | 0 | 0 | 116.2 | A1466 | A1466-N1468 VanDerWaalsContact C-N 3.3Å; A1466-N1468 PolarHBondContact O-N 3.2Å |
| 1469 | T | 30.4 | Very low | 34.5 | Very low | 125.2 Ų | 125.2 | 123.4 Ų | 123.4 | 77% | 0.768 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -140.8 | 60.1 | 171.1 | 1.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1470 | W | 29.6 | Very low | 34.1 | Very low | 238.4 Ų | 238.4 | 123.9 Ų | 123.9 | 90% | 0.903 | 74% | 0.737 | S | S | * | * | trans | -146.2 | 33.4 | 164.1 | -111.8 | 54.6 | 0 | 0 | 0 | 112.2 | G1472 D1479 | W1470-G1472 PolarHBondContact O-N 3.2Å; W1470-D1479 HydrophobicContact CH2-CB 4.45Å | ||
| 1471 | I | 29.2 | Very low | 34.1 | Very low | 177.8 Ų | 177.8 | 122 Ų | 122 | 91% | 0.912 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -106.5 | 93.9 | 165.4 | -56.1 | 177.7 | 0 | 0 | 0 | 107.4 | ||
| 1472 | G | 26.6 | Very low | 34.6 | Very low | 68.6 Ų | 68.6 | 123.5 Ų | 123.5 | 71% | 0.707 | 73% | 0.73 | S | S | * | * | trans | 130.2 | 75.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | W1470 | W1470-G1472 PolarHBondContact O-N 3.2Š| ||
| 1473 | M | 28 | Very low | 35.2 | Very low | 189 Ų | 189 | 119.2 Ų | 119.2 | 93% | 0.931 | 70% | 0.699 | S | S | * | * | trans | -153.9 | 114.8 | 136.4 | -111.8 | 165 | 95.7 | 0 | 0 | 109.7 | ||||
| 1474 | Q | 29.1 | Very low | 36.4 | Very low | 200.8 Ų | 200.8 | 117 Ų | 117 | 94% | 0.938 | 68% | 0.676 | S | S | * | * | trans | -77.8 | 131.4 | 170.4 | -72.4 | 176.5 | -21.8 | 0 | 0 | 109.1 | ||||
| 1475 | G | 27.3 | Very low | 37.6 | Very low | 76 Ų | 76 | 120 Ų | 120 | 78% | 0.784 | 67% | 0.671 | S | S | * | * | trans | 102.5 | 79.9 | 150 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1476 | S | 29.9 | Very low | 38.8 | Very low | 95.8 Ų | 95.8 | 113.7 Ų | 113.7 | 67% | 0.67 | 64% | 0.642 | S | S | * | * | -168.5 | 142.1 | 129.9 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | E1478 | S1476-E1478 PolarHBondContact O-N 3.06Š| |||
| 1477 | T | 33.3 | Very low | 40.4 | Very low | 142.6 Ų | 142.6 | 114.4 Ų | 114.4 | 88% | 0.875 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 45.8 | -175.7 | 42.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1478 | E | 35.1 | Very low | 42.1 | Very low | 155.8 Ų | 155.8 | 113.5 Ų | 113.5 | 73% | 0.728 | 63% | 0.626 | S | S | * | * | trans | -135.3 | 30.8 | 177.5 | -84 | -171.1 | -174.7 | 0 | 0 | 113.6 | S1476 I1480 R1485 | S1476-E1478 PolarHBondContact O-N 3.06Å; E1478-I1480 VanDerWaalsContact C-N 3.34Å; E1478-I1480 PolarHBondContact O-N 3.07Å; E1478-R1485 PolarHBondContact O-NH1 3.25Å; E1478-R1485 PolarHBondContact O-NH2 2.96Å | ||
| 1479 | D | 40.6 | Very low | 44 | Very low | 122.6 Ų | 122.6 | 106.5 Ų | 106.5 | 66% | 0.656 | 59% | 0.588 | S | S | * | * | trans | -122.7 | 67.4 | 169.9 | -78.2 | -35.8 | 0 | 0 | 0 | 112.6 | W1470 P1481 R1485 | W1470-D1479 HydrophobicContact CH2-CB 4.45Å; D1479-P1481 WeakPolarHBondContact O-CD 3.13Å; D1479-R1485 IonicContact OD1-CZ 3.25Å; D1479-R1485 IonicContact OD1-NH1 2.69Å; D1479-R1485 PolarHBondContact OD1-NH1 3.26Å; D1479-R1485 IonicContact OD1-NH2 3.64Å; D1479-R1485 PolarHBondContact OD1-NH2 3.17Å | ||
| 1480 | I | 45.9 | Very low | 45.7 | Very low | 92.2 Ų | 92.2 | 107 Ų | 107 | 47% | 0.473 | 59% | 0.586 | S | S | . | * | trans | -83.6 | 123.4 | 169.3 | -60 | 173.4 | 0 | 0 | 0 | 107.5 | E1478 L1482 F1484 R1485 | E1478-I1480 VanDerWaalsContact C-N 3.34Å; E1478-I1480 PolarHBondContact O-N 3.07Å; I1480-L1482 PolarHBondContact O-N 3.16Å; I1480-F1484 HydrophobicContact CG2-CB 3.56Å; I1480-F1484 VanDerWaalsContact CG2-CB 3.44Å; I1480-F1484 HydrophobicContact CG2-CD2 4.21Å; I1480-F1484 HydrophobicContact CG2-CG 4.25Å; I1480-R1485 HydrophobicContact CB-CG 4.33Å; I1480-R1485 HydrophobicContact CG2-CG 4.36Å; I1480-R1485 PolarHBondContact O-NH1 3.22Å | ||
| 1481 | P | 51.9 | Low | 47.6 | Very low | 42.2 Ų | 42.2 | 96.6 Ų | 96.6 | 27% | 0.274 | 55% | 0.55 | S | S | . | . | trans | -53.6 | 137.8 | -179.7 | -23.7 | 30.5 | 0 | 0 | 0 | 111.9 | D1479 L1483 F1484 V1662 W1664 | D1479-P1481 WeakPolarHBondContact O-CD 3.13Å; P1481-L1483 PolarHBondContact O-N 3.12Å; P1481-F1484 HydrophobicContact CB-CD2 4.05Å; P1481-F1484 HydrophobicContact CB-CE2 4.18Å; P1481-F1484 HydrophobicContact CG-CD2 3.99Å; P1481-F1484 HydrophobicContact CG-CE2 4.04Å; P1481-F1484 PolarHBondContact O-N 3.24Å; P1481-V1662 WeakPolarHBondContact CD-O 3.47Å; P1481-V1662 HydrophobicContact CG-CG1 3.96Å; P1481-V1662 VanDerWaalsContact CG-O 3.29Å; P1481-V1662 WeakPolarHBondContact CG-O 3.25Å; P1481-W1664 HydrophobicContact CB-CH2 3.76Å; P1481-W1664 HydrophobicContact CB-CZ2 4.21Å; P1481-W1664 HydrophobicContact CG-CH2 4.41Å | ||
| 1482 | L | 55 | Low | 49.6 | Very low | 99.2 Ų | 99.2 | 92 Ų | 92 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -51.9 | -26.9 | -171.2 | -69.7 | 172 | 0 | 0 | 0 | 114.5 | Y1454 T1457 I1480 F1484 R1485 | Y1454-L1482 HydrophobicContact CD2-CB 4.36Å; T1457-L1482 HydrophobicContact CG2-CD1 4.16Å; T1457-L1482 WeakPolarHBondContact OG1-CD1 3.33Å; I1480-L1482 PolarHBondContact O-N 3.16Å; L1482-F1484 VanDerWaalsContact C-N 3.31Å; L1482-F1484 PolarHBondContact O-N 3.1Å; L1482-F1484 VanDerWaalsContact O-N 3.16Å; L1482-R1485 PolarHBondContact O-N 3.27Å; L1482-R1485 VanDerWaalsContact O-N 3.13Å |
| 1483 | L | 57.4 | Low | 51.8 | Low | 5.8 Ų | 5.8 | 90.7 Ų | 90.7 | 3% | 0.03 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -56.5 | -30.3 | 176.7 | -109.1 | 160.1 | 0 | 0 | 0 | 113.7 | H1450 V1451 Y1454 P1481 N1653 F1656 W1664 L1667 | H1450-L1483 HydrophobicContact CB-CD2 3.77Å; H1450-L1483 HydrophobicContact CB-CG 4.41Å; H1450-L1483 WeakPolarHBondContact O-CD2 3.33Å; V1451-L1483 HydrophobicContact CG2-CD1 4.48Å; V1451-L1483 HydrophobicContact CG2-CD2 4.37Å; Y1454-L1483 HydrophobicContact CD1-CD1 4.14Å; Y1454-L1483 HydrophobicContact CD2-CB 4.23Å; Y1454-L1483 HydrophobicContact CD2-CD1 3.79Å; Y1454-L1483 HydrophobicContact CD2-CD2 4.4Å; Y1454-L1483 HydrophobicContact CD2-CG 3.95Å; Y1454-L1483 HydrophobicContact CE2-CD1 4.11Å; Y1454-L1483 HydrophobicContact CE2-CG 4.43Å; Y1454-L1483 HydrophobicContact CG-CB 4.46Å; Y1454-L1483 HydrophobicContact CG-CD1 3.83Å; Y1454-L1483 HydrophobicContact CG-CD2 4.34Å; Y1454-L1483 HydrophobicContact CG-CG 4.09Å; P1481-L1483 PolarHBondContact O-N 3.12Å; L1483-N1653 HydrophobicContact CD2-CB 4.29Å; L1483-N1653 VanDerWaalsContact O-CG 3.28Å; L1483-N1653 PolarHBondContact O-ND2 3.34Å; L1483-N1653 VanDerWaalsContact O-ND2 3.12Å; L1483-N1653 PolarHBondContact O-OD1 3.36Å; L1483-F1656 HydrophobicContact CD1-CE2 4.21Å; L1483-F1656 HydrophobicContact CD2-CD2 4.5Å; L1483-W1664 HydrophobicContact CB-CH2 3.77Å; L1483-W1664 HydrophobicContact CB-CZ2 4.11Å; L1483-W1664 HydrophobicContact CD1-CH2 3.64Å; L1483-W1664 HydrophobicContact CD1-CZ2 3.29Å; L1483-W1664 VanDerWaalsContact CD1-CZ2 3.46Å; L1483-W1664 HydrophobicContact CD1-CZ3 4.46Å; L1483-W1664 HydrophobicContact CG-CH2 4.17Å; L1483-W1664 HydrophobicContact CG-CZ2 4.06Å; L1483-L1667 HydrophobicContact CD1-CD1 4.49Å; L1483-L1667 HydrophobicContact CD1-CD2 4.17Å |
| 1484 | F | 58.8 | Low | 54.3 | Low | 31.8 Ų | 31.8 | 81.9 Ų | 81.9 | 14% | 0.139 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -94.7 | -13.1 | -175.3 | -61.5 | -77.7 | 0 | 0 | 0 | 114.6 | I1480 P1481 L1482 G1486 N1653 F1656 R1657 V1661 W1664 | I1480-F1484 HydrophobicContact CG2-CB 3.56Å; I1480-F1484 VanDerWaalsContact CG2-CB 3.44Å; I1480-F1484 HydrophobicContact CG2-CD2 4.21Å; I1480-F1484 HydrophobicContact CG2-CG 4.25Å; P1481-F1484 HydrophobicContact CB-CD2 4.05Å; P1481-F1484 HydrophobicContact CB-CE2 4.18Å; P1481-F1484 HydrophobicContact CG-CD2 3.99Å; P1481-F1484 HydrophobicContact CG-CE2 4.04Å; P1481-F1484 PolarHBondContact O-N 3.24Å; L1482-F1484 VanDerWaalsContact C-N 3.31Å; L1482-F1484 PolarHBondContact O-N 3.1Å; L1482-F1484 VanDerWaalsContact O-N 3.16Å; F1484-G1486 VanDerWaalsContact C-N 3.3Å; F1484-G1486 PolarHBondContact O-N 3.01Å; F1484-G1486 VanDerWaalsContact O-N 3.17Å; F1484-N1653 VanDerWaalsContact CD1-OD1 3.3Å; F1484-N1653 WeakPolarHBondContact CD1-OD1 3.39Å; F1484-N1653 WeakPolarHBondContact CE1-OD1 3.37Å; F1484-F1656 HydrophobicContact CE1-CB 3.69Å; F1484-F1656 HydrophobicContact CE1-CD2 4.23Å; F1484-F1656 HydrophobicContact CE1-CG 4.41Å; F1484-F1656 HydrophobicContact CZ-CB 3.8Å; F1484-F1656 AromaticContact CZ-CD2 3.83Å; F1484-F1656 HydrophobicContact CZ-CD2 4.03Å; F1484-F1656 HydrophobicContact CZ-CG 4.23Å; F1484-R1657 HydrophobicContact CD1-CG 4.07Å; F1484-R1657 HydrophobicContact CE1-CG 4.07Å; F1484-R1657 PolarHBondContact O-NH2 2.9Å; F1484-V1661 VanDerWaalsContact CZ-O 3.29Å; F1484-V1661 WeakPolarHBondContact CZ-O 3.39Å; F1484-W1664 HydrophobicContact CD2-CH2 4.28Å; F1484-W1664 HydrophobicContact CD2-CZ3 4.41Å; F1484-W1664 AromaticContact CE2-CH2 3.69Å; F1484-W1664 HydrophobicContact CE2-CH2 3.69Å; F1484-W1664 AromaticContact CE2-CZ3 3.41Å; F1484-W1664 HydrophobicContact CE2-CZ3 3.41Å; F1484-W1664 VanDerWaalsContact CE2-CZ3 3.41Å; F1484-W1664 AromaticContact CE2-NE1 3.8Å; F1484-W1664 HydrophobicContact CZ-CH2 4.29Å; F1484-W1664 AromaticContact CZ-CZ3 3.74Å; F1484-W1664 HydrophobicContact CZ-CZ3 3.74Å |
| 1485 | R | 57.1 | Low | 56.7 | Low | 167.4 Ų | 167.4 | 74.3 Ų | 74.3 | 63% | 0.632 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -78.4 | -6.6 | -178.5 | -88.7 | -175.5 | 174.1 | 159.6 | -1.1 | 114.2 | E1478 D1479 I1480 L1482 | E1478-R1485 PolarHBondContact O-NH1 3.25Å; E1478-R1485 PolarHBondContact O-NH2 2.96Å; D1479-R1485 IonicContact OD1-CZ 3.25Å; D1479-R1485 IonicContact OD1-NH1 2.69Å; D1479-R1485 PolarHBondContact OD1-NH1 3.26Å; D1479-R1485 IonicContact OD1-NH2 3.64Å; D1479-R1485 PolarHBondContact OD1-NH2 3.17Å; I1480-R1485 HydrophobicContact CB-CG 4.33Å; I1480-R1485 HydrophobicContact CG2-CG 4.36Å; I1480-R1485 PolarHBondContact O-NH1 3.22Å; L1482-R1485 PolarHBondContact O-N 3.27Å; L1482-R1485 VanDerWaalsContact O-N 3.13Å |
| 1486 | G | 57.9 | Low | 59.1 | Low | 21 Ų | 21 | 74.2 Ų | 74.2 | 22% | 0.216 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -84.3 | 154.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1450 F1484 R1657 | H1450-G1486 PolarHBondContact NE2-O 3.19Å; F1484-G1486 VanDerWaalsContact C-N 3.3Å; F1484-G1486 PolarHBondContact O-N 3.01Å; F1484-G1486 VanDerWaalsContact O-N 3.17Å; G1486-R1657 PolarHBondContact O-NH2 2.97Å |
| 1487 | P | 63.5 | Low | 61.6 | Low | 101.6 Ų | 101.6 | 69.7 Ų | 69.7 | 66% | 0.66 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 159.8 | 169.9 | 26.4 | -33.9 | 0 | 0 | 0 | 111.4 | H1450 C1489 | H1450-P1487 PolarHBondContact CE1-O 3.06Å; H1450-P1487 VanDerWaalsContact CE1-O 3.28Å; H1450-P1487 PolarHBondContact NE2-O 3.26Å; P1487-C1489 PolarHBondContact O-N 3.26Å |
| 1488 | P | 66.5 | Low | 64.1 | Low | 76.4 Ų | 76.4 | 65.3 Ų | 65.3 | 50% | 0.496 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 143.3 | 178.6 | 22 | -32.8 | 0 | 0 | 0 | 111.6 | N1490 | P1488-N1490 VanDerWaalsContact C-N 3.34Å; P1488-N1490 PolarHBondContact O-N 2.96Å |
| 1489 | C | 71.8 | Confident | 66.4 | Low | 6.6 Ų | 6.6 | 66.4 Ų | 66.4 | 5% | 0.045 | 34% | 0.343 | C | S | . | . | trans | -75.3 | 58.2 | -173.8 | -143.5 | 0 | 0 | 0 | 0 | 111.8 | N1449 H1450 P1487 S1491 Q1494 C1651 | N1449-C1489 PolarHBondContact N-SG 3.12Å; N1449-C1489 VanDerWaalsContact N-SG 3.44Å; H1450-C1489 VanDerWaalsContact CE1-CB 3.47Å; H1450-C1489 WeakPolarHBondContact CE1-CB 3.33Å; H1450-C1489 PolarHBondContact CE1-N 3.46Å; H1450-C1489 PolarHBondContact CE1-SG 3.46Å; H1450-C1489 PolarHBondContact ND1-SG 3.28Å; P1487-C1489 PolarHBondContact O-N 3.26Å; C1489-S1491 VanDerWaalsContact C-N 3.29Å; C1489-S1491 PolarHBondContact O-N 3.27Å; C1489-Q1494 VanDerWaalsContact C-OE1 3.29Å; C1489-Q1494 VanDerWaalsContact O-CD 3.27Å; C1489-Q1494 PolarHBondContact O-NE2 3.42Å; C1489-Q1494 PolarHBondContact O-OE1 3.13Å; C1489-Q1494 VanDerWaalsContact O-OE1 3.1Å; C1489-Q1494 VanDerWaalsContact SG-CD 3.55Å; C1489-Q1494 PolarHBondContact SG-NE2 3.09Å; C1489-Q1494 PolarHBondContact SG-OE1 3.04Å; C1489-C1651 HydrophobicContact CB-CB 3.83Å; C1489-C1651 WeakPolarHBondContact CB-SG 3.31Å | ||
| 1490 | N | 64.9 | Low | 68.5 | Low | 135 Ų | 135 | 61.6 Ų | 61.6 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | trans | -90.9 | 74 | -177 | -75.7 | -12.4 | 0 | 0 | 0 | 111.3 | P1488 | P1488-N1490 VanDerWaalsContact C-N 3.34Å; P1488-N1490 PolarHBondContact O-N 2.96Å | ||
| 1491 | S | 70.6 | Confident | 70.4 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | trans | -84.8 | 145.2 | 166.9 | 70.5 | 0 | 0 | 0 | 0 | 110.8 | C1489 R1493 Q1494 A1495 | C1489-S1491 VanDerWaalsContact C-N 3.29Å; C1489-S1491 PolarHBondContact O-N 3.27Å; S1491-R1493 PolarHBondContact O-N 3.2Å; S1491-R1493 VanDerWaalsContact O-N 3.11Å; S1491-Q1494 PolarHBondContact O-N 3.1Å; S1491-Q1494 VanDerWaalsContact O-N 3.15Å; S1491-Q1494 WeakPolarHBondContact OG-CB 3.31Å; S1491-Q1494 VanDerWaalsContact OG-CD 3.25Å; S1491-Q1494 VanDerWaalsContact OG-CG 3.28Å; S1491-Q1494 WeakPolarHBondContact OG-CG 3.43Å; S1491-Q1494 PolarHBondContact OG-N 3.06Å; S1491-Q1494 VanDerWaalsContact OG-N 3.16Å; S1491-Q1494 PolarHBondContact OG-OE1 3.28Å; S1491-A1495 PolarHBondContact O-N 3.08Å; S1491-A1495 VanDerWaalsContact O-N 3.13Å | ||
| 1492 | V | 70.2 | Confident | 72.1 | Confident | 81.6 Ų | 81.6 | 56.6 Ų | 56.6 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.1 | -34.2 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | A1495 Y1496 Q1974 N1975 F1978 | V1492-A1495 PolarHBondContact O-N 3.24Å; V1492-Y1496 WeakPolarHBondContact O-CB 3.3Å; V1492-Y1496 PolarHBondContact O-N 3.34Å; V1492-Q1974 HydrophobicContact CG1-CB 4.05Å; V1492-Q1974 HydrophobicContact CG1-CG 3.73Å; V1492-Q1974 HydrophobicContact CG2-CG 4.21Å; V1492-N1975 VanDerWaalsContact CB-OD1 3.27Å; V1492-N1975 WeakPolarHBondContact CB-OD1 3.25Å; V1492-N1975 WeakPolarHBondContact CG1-OD1 3.17Å; V1492-N1975 WeakPolarHBondContact CG2-OD1 3.46Å; V1492-F1978 HydrophobicContact CG1-CE2 3.79Å; V1492-F1978 HydrophobicContact CG1-CZ 3.9Å |
| 1493 | R | 73.9 | Confident | 73.5 | Confident | 41.2 Ų | 41.2 | 58.8 Ų | 58.8 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 177 | -96.1 | 166.1 | -166.3 | 137 | -1.7 | 112.6 | L1447 S1491 A1495 Y1496 T1497 R1759 E1977 F1978 D1981 R2000 | L1447-R1493 HydrophobicContact CD2-CB 4.15Å; L1447-R1493 HydrophobicContact CD2-CG 4.13Å; S1491-R1493 PolarHBondContact O-N 3.2Å; S1491-R1493 VanDerWaalsContact O-N 3.11Å; R1493-A1495 VanDerWaalsContact C-N 3.32Å; R1493-A1495 PolarHBondContact O-N 3.01Å; R1493-Y1496 WeakPolarHBondContact O-CB 3.31Å; R1493-Y1496 PolarHBondContact O-N 3.13Å; R1493-Y1496 VanDerWaalsContact O-N 3.15Å; R1493-T1497 WeakPolarHBondContact O-CB 3.41Å; R1493-T1497 PolarHBondContact O-N 3.06Å; R1493-T1497 VanDerWaalsContact O-N 3.1Å; R1493-T1497 PolarHBondContact O-OG1 3.22Å; R1493-R1759 VanDerWaalsContact CZ-CZ 3.45Å; R1493-R1759 VanDerWaalsContact CZ-NH2 3.35Å; R1493-R1759 VanDerWaalsContact NE-NH2 3.14Å; R1493-E1977 IonicContact CZ-OE1 2.85Å; R1493-E1977 IonicContact NH1-OE1 3.38Å; R1493-E1977 PolarHBondContact NH2-O 3.16Å; R1493-E1977 IonicContact NH2-OE1 3.78Å; R1493-E1977 IonicContact NH2-OE2 2.74Å; R1493-F1978 HydrophobicContact CB-CD2 3.79Å; R1493-F1978 HydrophobicContact CB-CE2 3.98Å; R1493-F1978 HydrophobicContact CG-CD2 3.6Å; R1493-F1978 HydrophobicContact CG-CE2 3.71Å; R1493-D1981 IonicContact CZ-OD1 2.98Å; R1493-D1981 IonicContact CZ-OD2 3.03Å; R1493-D1981 IonicContact NE-OD1 3.66Å; R1493-D1981 IonicContact NE-OD2 3.43Å; R1493-D1981 PolarHBondContact NE-OD2 2.97Å; R1493-D1981 IonicContact NH2-OD1 2.74Å; R1493-D1981 PolarHBondContact NH2-OD1 2.86Å; R1493-D1981 IonicContact NH2-OD2 3.5Å; R1493-R2000 VanDerWaalsContact CD-NH1 3.33Å; R1493-R2000 VanDerWaalsContact CG-NH1 3.3Å |
| 1494 | Q | 78.9 | Confident | 74.8 | Confident | 4.8 Ų | 4.8 | 58.7 Ų | 58.7 | 2% | 0.022 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178 | -71 | 176.6 | -7.2 | 0 | 0 | 111.7 | L1447 C1489 S1491 Y1496 T1497 K1498 T1650 | L1447-Q1494 HydrophobicContact CD1-CG 4.49Å; L1447-Q1494 HydrophobicContact CD2-CB 4.42Å; L1447-Q1494 HydrophobicContact CD2-CG 3.73Å; L1447-Q1494 HydrophobicContact CG-CG 3.77Å; L1447-Q1494 PolarHBondContact O-NE2 3.16Å; L1447-Q1494 VanDerWaalsContact O-NE2 3.09Å; C1489-Q1494 VanDerWaalsContact C-OE1 3.29Å; C1489-Q1494 VanDerWaalsContact O-CD 3.27Å; C1489-Q1494 PolarHBondContact O-NE2 3.42Å; C1489-Q1494 PolarHBondContact O-OE1 3.13Å; C1489-Q1494 VanDerWaalsContact O-OE1 3.1Å; C1489-Q1494 VanDerWaalsContact SG-CD 3.55Å; C1489-Q1494 PolarHBondContact SG-NE2 3.09Å; C1489-Q1494 PolarHBondContact SG-OE1 3.04Å; S1491-Q1494 PolarHBondContact O-N 3.1Å; S1491-Q1494 VanDerWaalsContact O-N 3.15Å; S1491-Q1494 WeakPolarHBondContact OG-CB 3.31Å; S1491-Q1494 VanDerWaalsContact OG-CD 3.25Å; S1491-Q1494 VanDerWaalsContact OG-CG 3.28Å; S1491-Q1494 WeakPolarHBondContact OG-CG 3.43Å; S1491-Q1494 PolarHBondContact OG-N 3.06Å; S1491-Q1494 VanDerWaalsContact OG-N 3.16Å; S1491-Q1494 PolarHBondContact OG-OE1 3.28Å; Q1494-Y1496 VanDerWaalsContact C-N 3.32Å; Q1494-Y1496 PolarHBondContact O-N 3.08Å; Q1494-T1497 PolarHBondContact O-N 3.1Å; Q1494-K1498 WeakPolarHBondContact O-CB 3.15Å; Q1494-K1498 VanDerWaalsContact O-CG 3.28Å; Q1494-K1498 WeakPolarHBondContact O-CG 3.36Å; Q1494-K1498 PolarHBondContact O-N 2.94Å; Q1494-T1650 HydrophobicContact CB-CG2 4.11Å; Q1494-T1650 VanDerWaalsContact CD-CB 3.48Å; Q1494-T1650 HydrophobicContact CG-CG2 4.12Å; Q1494-T1650 PolarHBondContact NE2-O 3.08Å; Q1494-T1650 PolarHBondContact OE1-OG1 3.15Å |
| 1495 | A | 79.4 | Confident | 76.1 | Confident | 41.2 Ų | 41.2 | 57.3 Ų | 57.3 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1491 V1492 R1493 R1499 | S1491-A1495 PolarHBondContact O-N 3.08Å; S1491-A1495 VanDerWaalsContact O-N 3.13Å; V1492-A1495 PolarHBondContact O-N 3.24Å; R1493-A1495 VanDerWaalsContact C-N 3.32Å; R1493-A1495 PolarHBondContact O-N 3.01Å; A1495-R1499 WeakPolarHBondContact O-CB 3.49Å; A1495-R1499 WeakPolarHBondContact O-CD 3.46Å; A1495-R1499 VanDerWaalsContact O-CG 3.27Å; A1495-R1499 WeakPolarHBondContact O-CG 3.3Å; A1495-R1499 PolarHBondContact O-N 2.97Å; A1495-R1499 VanDerWaalsContact O-N 3.11Å |
| 1496 | Y | 79.5 | Confident | 77.4 | Confident | 73.2 Ų | 73.2 | 56.8 Ų | 56.8 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 174.2 | 178.7 | -101.4 | 0 | 0 | 0 | 111.9 | V1492 R1493 Q1494 K1498 R1499 L1500 E1786 F1978 R2000 K2001 | V1492-Y1496 WeakPolarHBondContact O-CB 3.3Å; V1492-Y1496 PolarHBondContact O-N 3.34Å; R1493-Y1496 WeakPolarHBondContact O-CB 3.31Å; R1493-Y1496 PolarHBondContact O-N 3.13Å; R1493-Y1496 VanDerWaalsContact O-N 3.15Å; Q1494-Y1496 VanDerWaalsContact C-N 3.32Å; Q1494-Y1496 PolarHBondContact O-N 3.08Å; Y1496-K1498 VanDerWaalsContact C-N 3.35Å; Y1496-K1498 PolarHBondContact O-N 2.98Å; Y1496-R1499 WeakPolarHBondContact O-CB 3.21Å; Y1496-R1499 PolarHBondContact O-N 3Å; Y1496-R1499 VanDerWaalsContact O-N 3.12Å; Y1496-L1500 HydrophobicContact CD1-CD1 3.74Å; Y1496-L1500 HydrophobicContact CD2-CD1 3.87Å; Y1496-L1500 HydrophobicContact CE1-CD1 3.34Å; Y1496-L1500 VanDerWaalsContact CE1-CD1 3.49Å; Y1496-L1500 HydrophobicContact CE1-CD2 4.13Å; Y1496-L1500 HydrophobicContact CE1-CG 4.29Å; Y1496-L1500 HydrophobicContact CE2-CD1 3.99Å; Y1496-L1500 HydrophobicContact CE2-CG 4.46Å; Y1496-L1500 HydrophobicContact CG-CD1 3.87Å; Y1496-L1500 WeakPolarHBondContact O-CB 3.36Å; Y1496-L1500 WeakPolarHBondContact O-CD1 3.34Å; Y1496-L1500 PolarHBondContact O-N 3.03Å; Y1496-E1786 PolarHBondContact OH-O 3.43Å; Y1496-F1978 HydrophobicContact CD1-CE2 4.23Å; Y1496-F1978 AromaticContact CD1-CZ 3.71Å; Y1496-F1978 HydrophobicContact CD1-CZ 3.71Å; Y1496-F1978 HydrophobicContact CD2-CZ 4.12Å; Y1496-F1978 HydrophobicContact CE1-CZ 4.28Å; Y1496-F1978 HydrophobicContact CG-CE2 4.31Å; Y1496-F1978 AromaticContact CG-CZ 3.59Å; Y1496-F1978 HydrophobicContact CG-CZ 4.03Å; Y1496-R2000 HydrophobicContact CD1-CG 4.38Å; Y1496-R2000 HydrophobicContact CE1-CG 3.89Å; Y1496-R2000 PolarHBondContact OH-O 3.44Å; Y1496-R2000 VanDerWaalsContact OH-O 3.08Å; Y1496-K2001 HydrophobicContact CE2-CG 4.45Å |
| 1497 | T | 81.9 | Confident | 78.6 | Confident | 2.4 Ų | 2.4 | 59 Ų | 59 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | -179.9 | -48.9 | 0 | 0 | 0 | 0 | 112 | F1443 R1493 Q1494 R1499 L1500 F1501 L1648 E1752 | F1443-T1497 HydrophobicContact CE2-CG2 4.13Å; F1443-T1497 HydrophobicContact CZ-CG2 3.97Å; R1493-T1497 WeakPolarHBondContact O-CB 3.41Å; R1493-T1497 PolarHBondContact O-N 3.06Å; R1493-T1497 VanDerWaalsContact O-N 3.1Å; R1493-T1497 PolarHBondContact O-OG1 3.22Å; Q1494-T1497 PolarHBondContact O-N 3.1Å; T1497-R1499 VanDerWaalsContact C-N 3.34Å; T1497-R1499 PolarHBondContact O-N 3.21Å; T1497-L1500 PolarHBondContact O-N 3.02Å; T1497-F1501 WeakPolarHBondContact O-CB 3.23Å; T1497-F1501 PolarHBondContact O-N 3.3Å; T1497-L1648 HydrophobicContact CG2-CD2 3.87Å; T1497-E1752 HydrophobicContact CG2-CG 3.74Å; T1497-E1752 VanDerWaalsContact OG1-CD 3.32Å; T1497-E1752 PolarHBondContact OG1-OE1 3.27Å; T1497-E1752 PolarHBondContact OG1-OE2 3.18Å |
| 1498 | K | 85.5 | Confident | 79.5 | Confident | 48.4 Ų | 48.4 | 54.6 Ų | 54.6 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 175.1 | -74.8 | 174.4 | 162.8 | -149.1 | 0 | 112.2 | Q1494 Y1496 L1500 F1501 N1502 E1647 T1650 | Q1494-K1498 WeakPolarHBondContact O-CB 3.15Å; Q1494-K1498 VanDerWaalsContact O-CG 3.28Å; Q1494-K1498 WeakPolarHBondContact O-CG 3.36Å; Q1494-K1498 PolarHBondContact O-N 2.94Å; Y1496-K1498 VanDerWaalsContact C-N 3.35Å; Y1496-K1498 PolarHBondContact O-N 2.98Å; K1498-L1500 VanDerWaalsContact C-N 3.33Å; K1498-L1500 PolarHBondContact O-N 3.22Å; K1498-F1501 PolarHBondContact O-N 3.29Å; K1498-N1502 WeakPolarHBondContact O-CB 3.33Å; K1498-N1502 PolarHBondContact O-N 3.16Å; K1498-N1502 PolarHBondContact O-ND2 3.04Å; K1498-N1502 PolarHBondContact O-OD1 2.89Å; K1498-E1647 HydrophobicContact CD-CB 4.37Å; K1498-E1647 WeakPolarHBondContact CD-OE2 3.38Å; K1498-E1647 WeakPolarHBondContact CE-OE2 3.34Å; K1498-E1647 HydrophobicContact CG-CB 4.26Å; K1498-E1647 IonicContact NZ-OE2 3.39Å; K1498-E1647 PolarHBondContact NZ-OE2 3.22Å; K1498-T1650 HydrophobicContact CD-CG2 4.44Å; K1498-T1650 VanDerWaalsContact CE-OG1 3.27Å; K1498-T1650 WeakPolarHBondContact CE-OG1 3.38Å; K1498-T1650 HydrophobicContact CG-CG2 3.95Å |
| 1499 | R | 84 | Confident | 80.5 | Confident | 180.4 Ų | 180.4 | 51 Ų | 51 | 68% | 0.681 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63.1 | -40.2 | 176.7 | -73.4 | 172.9 | -174.5 | 173.4 | 1.7 | 112.3 | A1495 Y1496 T1497 N1502 R1503 | A1495-R1499 WeakPolarHBondContact O-CB 3.49Å; A1495-R1499 WeakPolarHBondContact O-CD 3.46Å; A1495-R1499 VanDerWaalsContact O-CG 3.27Å; A1495-R1499 WeakPolarHBondContact O-CG 3.3Å; A1495-R1499 PolarHBondContact O-N 2.97Å; A1495-R1499 VanDerWaalsContact O-N 3.11Å; Y1496-R1499 WeakPolarHBondContact O-CB 3.21Å; Y1496-R1499 PolarHBondContact O-N 3Å; Y1496-R1499 VanDerWaalsContact O-N 3.12Å; T1497-R1499 VanDerWaalsContact C-N 3.34Å; T1497-R1499 PolarHBondContact O-N 3.21Å; R1499-N1502 PolarHBondContact O-N 2.9Å; R1499-R1503 WeakPolarHBondContact O-CB 3.33Å; R1499-R1503 PolarHBondContact O-N 3.18Å; R1499-R1503 VanDerWaalsContact O-N 3.09Å |
| 1500 | L | 83.1 | Confident | 81.1 | Confident | 21.2 Ų | 21.2 | 56.7 Ų | 56.7 | 11% | 0.111 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 177.8 | -135.5 | 90.7 | 0 | 0 | 0 | 111.7 | Y1496 T1497 K1498 N1502 R1503 V1504 L1748 E1786 | Y1496-L1500 HydrophobicContact CD1-CD1 3.74Å; Y1496-L1500 HydrophobicContact CD2-CD1 3.87Å; Y1496-L1500 HydrophobicContact CE1-CD1 3.34Å; Y1496-L1500 VanDerWaalsContact CE1-CD1 3.49Å; Y1496-L1500 HydrophobicContact CE1-CD2 4.13Å; Y1496-L1500 HydrophobicContact CE1-CG 4.29Å; Y1496-L1500 HydrophobicContact CE2-CD1 3.99Å; Y1496-L1500 HydrophobicContact CE2-CG 4.46Å; Y1496-L1500 HydrophobicContact CG-CD1 3.87Å; Y1496-L1500 WeakPolarHBondContact O-CB 3.36Å; Y1496-L1500 WeakPolarHBondContact O-CD1 3.34Å; Y1496-L1500 PolarHBondContact O-N 3.03Å; T1497-L1500 PolarHBondContact O-N 3.02Å; K1498-L1500 VanDerWaalsContact C-N 3.33Å; K1498-L1500 PolarHBondContact O-N 3.22Å; L1500-N1502 PolarHBondContact O-N 2.87Å; L1500-R1503 WeakPolarHBondContact O-CB 3.33Å; L1500-R1503 PolarHBondContact O-N 3.08Å; L1500-R1503 VanDerWaalsContact O-N 3.12Å; L1500-V1504 WeakPolarHBondContact O-CG2 3.35Å; L1500-V1504 PolarHBondContact O-N 3.12Å; L1500-L1748 HydrophobicContact CB-CD1 4.16Å; L1500-L1748 HydrophobicContact CB-CD2 4.01Å; L1500-L1748 HydrophobicContact CD1-CD2 3.95Å; L1500-L1748 HydrophobicContact CD2-CD2 3.32Å; L1500-L1748 VanDerWaalsContact CD2-CD2 3.43Å; L1500-L1748 HydrophobicContact CG-CD1 3.99Å; L1500-L1748 HydrophobicContact CG-CD2 3.83Å; L1500-L1748 HydrophobicContact CG-CG 4.45Å; L1500-E1786 HydrophobicContact CD2-CB 3.79Å; L1500-E1786 WeakPolarHBondContact CD2-OE2 3.21Å; L1500-E1786 WeakPolarHBondContact CG-OE2 3.3Å |
| 1501 | F | 87.8 | Confident | 82 | Confident | 0.8 Ų | 0.8 | 52.4 Ų | 52.4 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -48.3 | 173.8 | -178.7 | -96.7 | 0 | 0 | 0 | 111.6 | T1497 K1498 R1503 V1504 V1505 I1630 L1648 L1674 F1676 A1745 | T1497-F1501 WeakPolarHBondContact O-CB 3.23Å; T1497-F1501 PolarHBondContact O-N 3.3Å; K1498-F1501 PolarHBondContact O-N 3.29Å; F1501-R1503 PolarHBondContact O-N 3.11Å; F1501-V1504 WeakPolarHBondContact O-CB 3.38Å; F1501-V1504 PolarHBondContact O-N 3.13Å; F1501-V1504 VanDerWaalsContact O-N 3.1Å; F1501-V1505 HydrophobicContact CD1-CG2 4.16Å; F1501-V1505 HydrophobicContact CE1-CG2 3.75Å; F1501-V1505 HydrophobicContact CE2-CG2 4.45Å; F1501-V1505 HydrophobicContact CZ-CG2 3.94Å; F1501-V1505 WeakPolarHBondContact O-CG2 3.29Å; F1501-V1505 PolarHBondContact O-N 3.17Å; F1501-I1630 HydrophobicContact CE1-CD1 4.28Å; F1501-I1630 HydrophobicContact CZ-CD1 4.24Å; F1501-L1648 HydrophobicContact CB-CB 3.96Å; F1501-L1648 HydrophobicContact CB-CD2 4.4Å; F1501-L1648 HydrophobicContact CD1-CB 3.95Å; F1501-L1648 HydrophobicContact CD2-CB 4.17Å; F1501-L1648 HydrophobicContact CD2-CD1 4.28Å; F1501-L1648 HydrophobicContact CD2-CD2 4.28Å; F1501-L1648 HydrophobicContact CD2-CG 4.45Å; F1501-L1648 HydrophobicContact CE1-CB 4.43Å; F1501-L1648 HydrophobicContact CE2-CD1 4.29Å; F1501-L1648 HydrophobicContact CG-CB 3.75Å; F1501-L1648 HydrophobicContact CG-CD2 4.47Å; F1501-L1648 HydrophobicContact CG-CG 4.5Å; F1501-L1674 HydrophobicContact CE2-CD2 4.06Å; F1501-L1674 HydrophobicContact CZ-CD2 4Å; F1501-F1676 HydrophobicContact CE2-CZ 4.16Å; F1501-F1676 HydrophobicContact CZ-CE1 4.23Å; F1501-F1676 HydrophobicContact CZ-CZ 4.14Å; F1501-A1745 HydrophobicContact CD2-CB 4.43Å; F1501-A1745 HydrophobicContact CE2-CB 4.06Å |
| 1502 | N | 86.2 | Confident | 82.6 | Confident | 28.4 Ų | 28.4 | 52 Ų | 52 | 15% | 0.152 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -34.5 | 176.3 | -74.9 | -16 | 0 | 0 | 0 | 112.2 | K1498 R1499 L1500 R1506 F1646 | K1498-N1502 WeakPolarHBondContact O-CB 3.33Å; K1498-N1502 PolarHBondContact O-N 3.16Å; K1498-N1502 PolarHBondContact O-ND2 3.04Å; K1498-N1502 PolarHBondContact O-OD1 2.89Å; R1499-N1502 PolarHBondContact O-N 2.9Å; L1500-N1502 PolarHBondContact O-N 2.87Å; N1502-R1506 VanDerWaalsContact O-CB 3.28Å; N1502-R1506 WeakPolarHBondContact O-CB 3.38Å; N1502-R1506 WeakPolarHBondContact O-CD 3.37Å; N1502-R1506 VanDerWaalsContact O-CG 3.22Å; N1502-R1506 WeakPolarHBondContact O-CG 3.34Å; N1502-R1506 PolarHBondContact O-N 2.98Å; N1502-F1646 WeakPolarHBondContact OD1-CD1 3.23Å; N1502-F1646 VanDerWaalsContact OD1-CE1 3.3Å; N1502-F1646 WeakPolarHBondContact OD1-CE1 3.45Å; N1502-F1646 PolarHBondContact OD1-O 3.17Å; N1502-F1646 VanDerWaalsContact OD1-O 3.04Å |
| 1503 | R | 83.9 | Confident | 82.6 | Confident | 145.2 Ų | 145.2 | 53.3 Ų | 53.3 | 55% | 0.548 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.1 | -43.9 | 174.8 | -178.9 | 172.6 | -111.9 | 142.9 | -3.1 | 111.6 | R1499 L1500 F1501 R1506 Q1507 E1786 | R1499-R1503 WeakPolarHBondContact O-CB 3.33Å; R1499-R1503 PolarHBondContact O-N 3.18Å; R1499-R1503 VanDerWaalsContact O-N 3.09Å; L1500-R1503 WeakPolarHBondContact O-CB 3.33Å; L1500-R1503 PolarHBondContact O-N 3.08Å; L1500-R1503 VanDerWaalsContact O-N 3.12Å; F1501-R1503 PolarHBondContact O-N 3.11Å; R1503-R1506 CarbonylContact O-C 3.53Å; R1503-R1506 PolarHBondContact O-N 3.07Å; R1503-Q1507 WeakPolarHBondContact O-CG 3.39Å; R1503-Q1507 PolarHBondContact O-N 3.16Å; R1503-Q1507 VanDerWaalsContact O-N 3.14Å; R1503-E1786 WeakPolarHBondContact CD-OE1 3.37Å; R1503-E1786 IonicContact CZ-OE1 3.73Å; R1503-E1786 IonicContact NE-OE1 2.95Å; R1503-E1786 PolarHBondContact NE-OE1 3.4Å; R1503-E1786 IonicContact NH2-OE1 2.79Å |
| 1504 | V | 84.6 | Confident | 82.4 | Confident | 4.2 Ų | 4.2 | 56.1 Ų | 56.1 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 175.8 | 161 | 0 | 0 | 0 | 0 | 111.2 | L1500 F1501 R1506 Q1507 L1741 Q1744 L1748 I1783 | L1500-V1504 WeakPolarHBondContact O-CG2 3.35Å; L1500-V1504 PolarHBondContact O-N 3.12Å; F1501-V1504 WeakPolarHBondContact O-CB 3.38Å; F1501-V1504 PolarHBondContact O-N 3.13Å; F1501-V1504 VanDerWaalsContact O-N 3.1Å; V1504-R1506 VanDerWaalsContact C-N 3.32Å; V1504-R1506 PolarHBondContact O-N 2.88Å; V1504-Q1507 WeakPolarHBondContact O-CB 3.35Å; V1504-Q1507 PolarHBondContact O-N 3.23Å; V1504-Q1507 VanDerWaalsContact O-N 3.16Å; V1504-L1741 HydrophobicContact CG1-CD1 4.1Å; V1504-Q1744 HydrophobicContact CB-CB 4.47Å; V1504-Q1744 HydrophobicContact CG1-CB 3.65Å; V1504-Q1744 HydrophobicContact CG2-CB 4.02Å; V1504-L1748 HydrophobicContact CB-CD1 4.16Å; V1504-L1748 HydrophobicContact CG2-CD1 3.53Å; V1504-L1748 VanDerWaalsContact CG2-CD1 3.48Å; V1504-L1748 HydrophobicContact CG2-CG 4.46Å; V1504-I1783 HydrophobicContact CG2-CG2 4.26Å |
| 1505 | V | 86.4 | Confident | 82.2 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 175.6 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | F1501 Q1507 H1508 F1509 F1519 I1630 L1741 | F1501-V1505 HydrophobicContact CD1-CG2 4.16Å; F1501-V1505 HydrophobicContact CE1-CG2 3.75Å; F1501-V1505 HydrophobicContact CE2-CG2 4.45Å; F1501-V1505 HydrophobicContact CZ-CG2 3.94Å; F1501-V1505 WeakPolarHBondContact O-CG2 3.29Å; F1501-V1505 PolarHBondContact O-N 3.17Å; V1505-Q1507 PolarHBondContact O-N 2.97Å; V1505-Q1507 VanDerWaalsContact O-N 3.14Å; V1505-H1508 PolarHBondContact O-N 3.18Å; V1505-H1508 VanDerWaalsContact O-N 3.17Å; V1505-F1509 HydrophobicContact CG1-CB 4.08Å; V1505-F1509 WeakPolarHBondContact O-CA 3.43Å; V1505-F1509 WeakPolarHBondContact O-CB 3.41Å; V1505-F1509 PolarHBondContact O-N 3.13Å; V1505-F1509 VanDerWaalsContact O-O 3.1Å; V1505-F1519 HydrophobicContact CG1-CD1 3.75Å; V1505-F1519 HydrophobicContact CG1-CE1 3.55Å; V1505-F1519 HydrophobicContact CG1-CG 4.41Å; V1505-F1519 HydrophobicContact CG1-CZ 4.08Å; V1505-I1630 HydrophobicContact CG1-CD1 4.24Å; V1505-I1630 HydrophobicContact CG2-CD1 3.94Å; V1505-L1741 HydrophobicContact CB-CD1 4.41Å; V1505-L1741 HydrophobicContact CG1-CD1 4.45Å; V1505-L1741 HydrophobicContact CG2-CD1 4.28Å |
| 1506 | R | 85.3 | Confident | 82 | Confident | 156.4 Ų | 156.4 | 59.1 Ų | 59.1 | 59% | 0.59 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.5 | -8.7 | -178.8 | -72.6 | 178.1 | -177.8 | -171.5 | 0.1 | 116 | N1502 R1503 V1504 H1508 F1509 | N1502-R1506 VanDerWaalsContact O-CB 3.28Å; N1502-R1506 WeakPolarHBondContact O-CB 3.38Å; N1502-R1506 WeakPolarHBondContact O-CD 3.37Å; N1502-R1506 VanDerWaalsContact O-CG 3.22Å; N1502-R1506 WeakPolarHBondContact O-CG 3.34Å; N1502-R1506 PolarHBondContact O-N 2.98Å; R1503-R1506 CarbonylContact O-C 3.53Å; R1503-R1506 PolarHBondContact O-N 3.07Å; V1504-R1506 VanDerWaalsContact C-N 3.32Å; V1504-R1506 PolarHBondContact O-N 2.88Å; R1506-H1508 VanDerWaalsContact C-N 3.33Å; R1506-F1509 VanDerWaalsContact CA-O 3.28Å; R1506-F1509 WeakPolarHBondContact CA-O 3.33Å |
| 1507 | Q | 82.5 | Confident | 82 | Confident | 68.8 Ų | 68.8 | 58.7 Ų | 58.7 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.1 | -36.7 | 173 | -74.6 | 179.8 | 5.2 | 0 | 0 | 111.7 | R1503 V1504 V1505 Q1744 | R1503-Q1507 WeakPolarHBondContact O-CG 3.39Å; R1503-Q1507 PolarHBondContact O-N 3.16Å; R1503-Q1507 VanDerWaalsContact O-N 3.14Å; V1504-Q1507 WeakPolarHBondContact O-CB 3.35Å; V1504-Q1507 PolarHBondContact O-N 3.23Å; V1504-Q1507 VanDerWaalsContact O-N 3.16Å; V1505-Q1507 PolarHBondContact O-N 2.97Å; V1505-Q1507 VanDerWaalsContact O-N 3.14Å; Q1507-Q1744 VanDerWaalsContact OE1-OE1 3.04Å |
| 1508 | H | 82.1 | Confident | 82.1 | Confident | 7.8 Ų | 7.8 | 59.6 Ų | 59.6 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -124.3 | -14.4 | -175 | -56.6 | -51.9 | 0 | 0 | 0 | 113.6 | V1505 R1506 C1521 F1522 D1524 S1737 K1740 | V1505-H1508 PolarHBondContact O-N 3.18Å; V1505-H1508 VanDerWaalsContact O-N 3.17Å; R1506-H1508 VanDerWaalsContact C-N 3.33Å; H1508-C1521 CarbonylContact O-C 3.45Å; H1508-C1521 WeakPolarHBondContact O-CA 3.2Å; H1508-F1522 PolarHBondContact O-N 3.07Å; H1508-D1524 IonicContact CE1-OD1 3.33Å; H1508-D1524 PolarHBondContact CE1-OD1 3.31Å; H1508-D1524 VanDerWaalsContact CE1-OD1 3.3Å; H1508-D1524 IonicContact CE1-OD2 3.38Å; H1508-D1524 PolarHBondContact CE1-OD2 3.34Å; H1508-D1524 VanDerWaalsContact CE1-OD2 3.29Å; H1508-D1524 IonicContact ND1-OD1 3.13Å; H1508-D1524 PolarHBondContact ND1-OD1 2.99Å; H1508-D1524 IonicContact ND1-OD2 3.27Å; H1508-S1737 PolarHBondContact CD2-O 3.29Å; H1508-K1740 VanDerWaalsContact NE2-CB 3.32Å; H1508-K1740 WeakPolarHBondContact NE2-CB 3.37Å; H1508-K1740 WeakPolarHBondContact NE2-CD 3.44Å |
| 1509 | F | 87.8 | Confident | 82.2 | Confident | 0.6 Ų | 0.6 | 57.6 Ų | 57.6 | 0% | 0.003 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128.8 | -174.3 | -70.9 | -93.2 | 0 | 0 | 0 | 111.5 | V1505 R1506 F1519 V1520 C1521 L1628 L1738 L1741 | V1505-F1509 HydrophobicContact CG1-CB 4.08Å; V1505-F1509 WeakPolarHBondContact O-CA 3.43Å; V1505-F1509 WeakPolarHBondContact O-CB 3.41Å; V1505-F1509 PolarHBondContact O-N 3.13Å; V1505-F1509 VanDerWaalsContact O-O 3.1Å; R1506-F1509 VanDerWaalsContact CA-O 3.28Å; R1506-F1509 WeakPolarHBondContact CA-O 3.33Å; F1509-F1519 HydrophobicContact CB-CB 3.89Å; F1509-F1519 HydrophobicContact CB-CD1 4.36Å; F1509-F1519 HydrophobicContact CB-CG 4.46Å; F1509-F1519 HydrophobicContact CD1-CB 4.25Å; F1509-F1519 HydrophobicContact CG-CB 4.48Å; F1509-V1520 CarbonylContact C-O 3.54Å; F1509-V1520 VanDerWaalsContact CA-O 3.3Å; F1509-V1520 WeakPolarHBondContact CA-O 3.22Å; F1509-C1521 HydrophobicContact CD1-CB 3.91Å; F1509-C1521 HydrophobicContact CE1-CB 3.46Å; F1509-C1521 VanDerWaalsContact CE1-CB 3.45Å; F1509-C1521 HydrophobicContact CZ-CB 3.97Å; F1509-L1628 HydrophobicContact CB-CD2 4.43Å; F1509-L1628 HydrophobicContact CD1-CB 3.59Å; F1509-L1628 HydrophobicContact CD1-CD2 3.79Å; F1509-L1628 HydrophobicContact CD1-CG 4.34Å; F1509-L1628 HydrophobicContact CD2-CD2 4.12Å; F1509-L1628 HydrophobicContact CE1-CB 3.57Å; F1509-L1628 VanDerWaalsContact CE1-CB 3.49Å; F1509-L1628 HydrophobicContact CE1-CD2 4.02Å; F1509-L1628 HydrophobicContact CE1-CG 4.38Å; F1509-L1628 HydrophobicContact CE2-CD2 4.35Å; F1509-L1628 HydrophobicContact CG-CB 4.44Å; F1509-L1628 HydrophobicContact CG-CD2 3.85Å; F1509-L1628 HydrophobicContact CZ-CB 4.34Å; F1509-L1628 HydrophobicContact CZ-CD2 4.31Å; F1509-L1738 HydrophobicContact CE1-CD2 4.39Å; F1509-L1738 HydrophobicContact CE2-CD2 4.13Å; F1509-L1738 HydrophobicContact CZ-CD2 3.55Å; F1509-L1738 VanDerWaalsContact CZ-CD2 3.49Å; F1509-L1738 HydrophobicContact CZ-CG 4.16Å; F1509-L1741 HydrophobicContact CD2-CD1 3.59Å; F1509-L1741 VanDerWaalsContact CD2-CD1 3.41Å; F1509-L1741 HydrophobicContact CD2-CD2 4.09Å; F1509-L1741 HydrophobicContact CE2-CB 4.37Å; F1509-L1741 HydrophobicContact CE2-CD1 3.91Å; F1509-L1741 HydrophobicContact CE2-CD2 3.92Å; F1509-L1741 HydrophobicContact CE2-CG 4.49Å; F1509-L1741 HydrophobicContact CG-CD1 4.25Å |
| 1510 | R | 84.9 | Confident | 82.4 | Confident | 126.2 Ų | 126.2 | 49.2 Ų | 49.2 | 48% | 0.476 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.7 | 175.4 | -57.7 | -178.4 | -176.4 | 179.8 | 2.1 | 110.8 | E1415 F1519 V1520 F1522 | E1415-R1510 IonicContact OE1-CZ 3.46Å; E1415-R1510 IonicContact OE1-NH1 3.04Å; E1415-R1510 PolarHBondContact OE1-NH1 2.76Å; R1510-F1519 CarbonylContact O-C 3.5Å; R1510-F1519 VanDerWaalsContact O-CA 3.25Å; R1510-F1519 WeakPolarHBondContact O-CA 3.26Å; R1510-V1520 PolarHBondContact N-O 2.99Å; R1510-V1520 PolarHBondContact O-N 3.06Å; R1510-F1522 HydrophobicContact CB-CD2 4.08Å; R1510-F1522 HydrophobicContact CB-CE2 3.68Å; R1510-F1522 HydrophobicContact CB-CZ 4.43Å; R1510-F1522 HydrophobicContact CG-CD2 3.7Å; R1510-F1522 HydrophobicContact CG-CE2 3.69Å; R1510-F1522 HydrophobicContact CG-CG 4.39Å; R1510-F1522 HydrophobicContact CG-CZ 4.3Å |
| 1511 | P | 84.1 | Confident | 82.5 | Confident | 46.6 Ų | 46.6 | 48.2 Ų | 48.2 | 30% | 0.303 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 144.3 | 173.9 | 26.4 | -32.4 | 0 | 0 | 0 | 110.7 | F1519 F1646 | P1511-F1519 HydrophobicContact CB-CD1 4.11Å; P1511-F1519 HydrophobicContact CB-CE1 4.1Å; P1511-F1519 HydrophobicContact CG-CE1 4.49Å; P1511-F1646 HydrophobicContact CB-CE2 3.7Å; P1511-F1646 HydrophobicContact CB-CZ 4.22Å; P1511-F1646 HydrophobicContact CG-CE2 3.98Å; P1511-F1646 HydrophobicContact CG-CZ 3.98Å |
| 1512 | V | 81.7 | Confident | 82.2 | Confident | 9.6 Ų | 9.6 | 50.1 Ų | 50.1 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 132.1 | 172.2 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | L1412 L1423 D1514 Y1515 P1516 Y1518 V1520 | L1412-V1512 HydrophobicContact CD1-CG1 4.08Å; L1412-V1512 HydrophobicContact CD1-CG2 4.14Å; L1412-V1512 HydrophobicContact CD2-CG1 3.82Å; L1412-V1512 HydrophobicContact CD2-CG2 4.39Å; L1423-V1512 HydrophobicContact CD2-CB 4.41Å; L1423-V1512 HydrophobicContact CD2-CG1 3.92Å; L1423-V1512 HydrophobicContact CD2-CG2 4.48Å; V1512-D1514 VanDerWaalsContact C-N 3.33Å; V1512-D1514 PolarHBondContact O-N 3.07Å; V1512-D1514 VanDerWaalsContact O-N 3.14Å; V1512-Y1515 HydrophobicContact CG1-CD2 4.05Å; V1512-Y1515 CarbonylContact O-C 3.51Å; V1512-Y1515 PolarHBondContact O-N 3Å; V1512-Y1515 VanDerWaalsContact O-N 3.1Å; V1512-P1516 WeakPolarHBondContact O-CA 3.47Å; V1512-Y1518 WeakPolarHBondContact CG2-O 3.5Å; V1512-Y1518 PolarHBondContact N-O 3.1Å; V1512-Y1518 VanDerWaalsContact N-O 3.14Å; V1512-V1520 HydrophobicContact CG2-CG2 3.62Å |
| 1513 | T | 70.1 | Confident | 81.5 | Confident | 109.8 Ų | 109.8 | 50.1 Ų | 50.1 | 67% | 0.674 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.8 | -176.4 | 13.4 | 0 | 0 | 0 | 0 | 112.3 | Y1515 | T1513-Y1515 VanDerWaalsContact C-N 3.26Å; T1513-Y1515 WeakPolarHBondContact O-CD2 3.44Å; T1513-Y1515 PolarHBondContact O-N 2.94Å |
| 1514 | D | 70.9 | Confident | 80.7 | Confident | 101 Ų | 101 | 46.7 Ų | 46.7 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.7 | -176.3 | -57.2 | -35.9 | 0 | 0 | 0 | 114.7 | V1512 P1516 | V1512-D1514 VanDerWaalsContact C-N 3.33Å; V1512-D1514 PolarHBondContact O-N 3.07Å; V1512-D1514 VanDerWaalsContact O-N 3.14Å; D1514-P1516 WeakPolarHBondContact O-CD 3.49Å |
| 1515 | Y | 75.4 | Confident | 79.3 | Confident | 47.2 Ų | 47.2 | 54.9 Ų | 54.9 | 19% | 0.185 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 72.4 | -177.5 | -62.7 | -75 | 0 | 0 | 0 | 110.6 | S1420 L1423 R1424 V1512 T1513 D1517 Y1518 | S1420-Y1515 VanDerWaalsContact CA-CZ 3.42Å; S1420-Y1515 VanDerWaalsContact CA-OH 3.25Å; S1420-Y1515 WeakPolarHBondContact CA-OH 3.19Å; S1420-Y1515 WeakPolarHBondContact CB-OH 3.31Å; S1420-Y1515 PolarHBondContact N-OH 3.03Å; S1420-Y1515 PolarHBondContact OG-OH 3.07Å; L1423-Y1515 HydrophobicContact CD2-CD2 3.41Å; L1423-Y1515 VanDerWaalsContact CD2-CD2 3.47Å; L1423-Y1515 HydrophobicContact CD2-CE2 4.29Å; L1423-Y1515 HydrophobicContact CD2-CG 3.86Å; R1424-Y1515 PolarHBondContact NH2-OH 2.82Å; V1512-Y1515 HydrophobicContact CG1-CD2 4.05Å; V1512-Y1515 CarbonylContact O-C 3.51Å; V1512-Y1515 PolarHBondContact O-N 3Å; V1512-Y1515 VanDerWaalsContact O-N 3.1Å; T1513-Y1515 VanDerWaalsContact C-N 3.26Å; T1513-Y1515 WeakPolarHBondContact O-CD2 3.44Å; T1513-Y1515 PolarHBondContact O-N 2.94Å; Y1515-D1517 PolarHBondContact O-N 3.25Å; Y1515-D1517 VanDerWaalsContact O-N 3.12Å; Y1515-Y1518 HydrophobicContact CD1-CD2 4.06Å; Y1515-Y1518 HydrophobicContact CD1-CE2 4.13Å; Y1515-Y1518 PolarHBondContact O-N 2.95Å; Y1515-Y1518 VanDerWaalsContact O-N 3.13Å |
| 1516 | P | 73.2 | Confident | 77.2 | Confident | 61.2 Ų | 61.2 | 60.7 Ų | 60.7 | 40% | 0.397 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | -22.1 | -172.7 | 26.5 | -35.1 | 0 | 0 | 0 | 112.3 | V1512 D1514 Y1518 F1646 | V1512-P1516 WeakPolarHBondContact O-CA 3.47Å; D1514-P1516 WeakPolarHBondContact O-CD 3.49Å; P1516-Y1518 VanDerWaalsContact C-N 3.25Å; P1516-Y1518 CarbonylContact O-C 3.53Å; P1516-Y1518 PolarHBondContact O-N 3.43Å; P1516-F1646 VanDerWaalsContact C-CZ 3.49Å; P1516-F1646 HydrophobicContact CB-CD1 4.33Å; P1516-F1646 HydrophobicContact CB-CD2 4.39Å; P1516-F1646 HydrophobicContact CB-CE1 3.75Å; P1516-F1646 HydrophobicContact CB-CE2 3.86Å; P1516-F1646 HydrophobicContact CB-CZ 3.55Å; P1516-F1646 VanDerWaalsContact CB-CZ 3.4Å; P1516-F1646 HydrophobicContact CG-CE1 4.26Å; P1516-F1646 HydrophobicContact CG-CE2 3.92Å; P1516-F1646 HydrophobicContact CG-CZ 3.79Å; P1516-F1646 VanDerWaalsContact O-CD1 3.32Å; P1516-F1646 WeakPolarHBondContact O-CD1 3.4Å; P1516-F1646 VanDerWaalsContact O-CD2 3.3Å; P1516-F1646 WeakPolarHBondContact O-CD2 3.03Å; P1516-F1646 WeakPolarHBondContact O-CE1 3.39Å; P1516-F1646 WeakPolarHBondContact O-CZ 3.44Å |
| 1517 | D | 80.3 | Confident | 74.7 | Confident | 63.8 Ų | 63.8 | 58.1 Ų | 58.1 | 34% | 0.341 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | -23.6 | 179.3 | -68 | -42.2 | 0 | 0 | 0 | 113.5 | Y1515 S1644 F1646 | Y1515-D1517 PolarHBondContact O-N 3.25Å; Y1515-D1517 VanDerWaalsContact O-N 3.12Å; D1517-S1644 WeakPolarHBondContact CB-OG 3.32Å; D1517-S1644 VanDerWaalsContact CG-OG 3.31Å; D1517-S1644 WeakPolarHBondContact OD1-CB 3.32Å; D1517-S1644 PolarHBondContact OD1-OG 3.23Å; D1517-F1646 VanDerWaalsContact CA-CE1 3.41Å; D1517-F1646 VanDerWaalsContact CA-CZ 3.45Å; D1517-F1646 HydrophobicContact CB-CE1 4.45Å; D1517-F1646 HydrophobicContact CB-CZ 4.31Å; D1517-F1646 VanDerWaalsContact N-CE1 3.34Å; D1517-F1646 WeakPolarHBondContact OD1-CE2 3.29Å; D1517-F1646 WeakPolarHBondContact OD1-CZ 3.32Å |
| 1518 | Y | 85.3 | Confident | 72.3 | Confident | 22.2 Ų | 22.2 | 63.4 Ų | 63.4 | 9% | 0.087 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.9 | 178.6 | -59 | -83.7 | 0 | 0 | 0 | 111.2 | I1427 D1428 V1512 Y1515 P1516 Q1629 L1679 | I1427-Y1518 HydrophobicContact CB-CE1 4.48Å; I1427-Y1518 HydrophobicContact CD1-CD1 3.69Å; I1427-Y1518 HydrophobicContact CD1-CD2 4.29Å; I1427-Y1518 HydrophobicContact CD1-CE1 4Å; I1427-Y1518 HydrophobicContact CD1-CE2 4.48Å; I1427-Y1518 HydrophobicContact CD1-CG 3.83Å; I1427-Y1518 HydrophobicContact CG2-CD1 4.23Å; I1427-Y1518 HydrophobicContact CG2-CE1 3.75Å; D1428-Y1518 PolarHBondContact OD1-OH 3.09Å; D1428-Y1518 VanDerWaalsContact OD1-OH 3.07Å; V1512-Y1518 WeakPolarHBondContact CG2-O 3.5Å; V1512-Y1518 PolarHBondContact N-O 3.1Å; V1512-Y1518 VanDerWaalsContact N-O 3.14Å; Y1515-Y1518 HydrophobicContact CD1-CD2 4.06Å; Y1515-Y1518 HydrophobicContact CD1-CE2 4.13Å; Y1515-Y1518 PolarHBondContact O-N 2.95Å; Y1515-Y1518 VanDerWaalsContact O-N 3.13Å; P1516-Y1518 VanDerWaalsContact C-N 3.25Å; P1516-Y1518 CarbonylContact O-C 3.53Å; P1516-Y1518 PolarHBondContact O-N 3.43Å; Y1518-Q1629 HydrophobicContact CD1-CB 4.08Å; Y1518-Q1629 HydrophobicContact CE1-CB 4.24Å; Y1518-Q1629 HydrophobicContact CE1-CG 4.46Å; Y1518-L1679 HydrophobicContact CD1-CD1 4.05Å; Y1518-L1679 HydrophobicContact CE1-CD1 3.9Å |
| 1519 | F | 87 | Confident | 69.7 | Low | 6 Ų | 6 | 70.4 Ų | 70.4 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 143.8 | 174 | -57 | -107.3 | 0 | 0 | 0 | 110.6 | V1505 F1509 R1510 P1511 F1627 L1628 I1630 F1646 | V1505-F1519 HydrophobicContact CG1-CD1 3.75Å; V1505-F1519 HydrophobicContact CG1-CE1 3.55Å; V1505-F1519 HydrophobicContact CG1-CG 4.41Å; V1505-F1519 HydrophobicContact CG1-CZ 4.08Å; F1509-F1519 HydrophobicContact CB-CB 3.89Å; F1509-F1519 HydrophobicContact CB-CD1 4.36Å; F1509-F1519 HydrophobicContact CB-CG 4.46Å; F1509-F1519 HydrophobicContact CD1-CB 4.25Å; F1509-F1519 HydrophobicContact CG-CB 4.48Å; R1510-F1519 CarbonylContact O-C 3.5Å; R1510-F1519 VanDerWaalsContact O-CA 3.25Å; R1510-F1519 WeakPolarHBondContact O-CA 3.26Å; P1511-F1519 HydrophobicContact CB-CD1 4.11Å; P1511-F1519 HydrophobicContact CB-CE1 4.1Å; P1511-F1519 HydrophobicContact CG-CE1 4.49Å; F1519-F1627 CarbonylContact O-C 3.55Å; F1519-F1627 VanDerWaalsContact O-CA 3.26Å; F1519-F1627 WeakPolarHBondContact O-CA 3.34Å; F1519-L1628 HydrophobicContact CB-CB 4.27Å; F1519-L1628 WeakPolarHBondContact CD2-O 3.41Å; F1519-L1628 PolarHBondContact N-O 3.17Å; F1519-L1628 PolarHBondContact O-N 3.06Å; F1519-I1630 HydrophobicContact CE2-CD1 4.02Å; F1519-I1630 HydrophobicContact CE2-CG1 4.26Å; F1519-I1630 HydrophobicContact CZ-CD1 4.26Å; F1519-F1646 HydrophobicContact CD1-CE2 4.06Å; F1519-F1646 AromaticContact CE1-CD2 3.69Å; F1519-F1646 HydrophobicContact CE1-CD2 3.69Å; F1519-F1646 AromaticContact CE1-CE2 3.06Å; F1519-F1646 HydrophobicContact CE1-CE2 3.06Å; F1519-F1646 AromaticContact CE1-CZ 3.7Å; F1519-F1646 HydrophobicContact CE1-CZ 3.7Å; F1519-F1646 AromaticContact CE2-CD1 3.89Å; F1519-F1646 HydrophobicContact CE2-CD1 4.1Å; F1519-F1646 AromaticContact CE2-CD2 3.95Å; F1519-F1646 HydrophobicContact CE2-CD2 3.95Å; F1519-F1646 HydrophobicContact CE2-CE1 4.24Å; F1519-F1646 HydrophobicContact CE2-CE2 4.14Å; F1519-F1646 AromaticContact CZ-CD1 3.76Å; F1519-F1646 HydrophobicContact CZ-CD1 3.85Å; F1519-F1646 AromaticContact CZ-CD2 3.16Å; F1519-F1646 HydrophobicContact CZ-CD2 3.16Å; F1519-F1646 HydrophobicContact CZ-CE1 4.41Å; F1519-F1646 AromaticContact CZ-CE2 3.12Å; F1519-F1646 HydrophobicContact CZ-CE2 3.12Å; F1519-F1646 HydrophobicContact CZ-CG 4.09Å; F1519-F1646 HydrophobicContact CZ-CZ 4.01Å |
| 1520 | V | 86.7 | Confident | 66.9 | Low | 3.8 Ų | 3.8 | 74.8 Ų | 74.8 | 2% | 0.023 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.4 | 175 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | Y1409 L1412 F1509 R1510 V1512 F1522 F1627 | Y1409-V1520 HydrophobicContact CD2-CG1 3.78Å; Y1409-V1520 HydrophobicContact CE2-CG1 3.49Å; Y1409-V1520 VanDerWaalsContact CE2-CG1 3.46Å; L1412-V1520 HydrophobicContact CB-CG2 4.15Å; L1412-V1520 HydrophobicContact CD1-CG2 3.89Å; F1509-V1520 CarbonylContact C-O 3.54Å; F1509-V1520 VanDerWaalsContact CA-O 3.3Å; F1509-V1520 WeakPolarHBondContact CA-O 3.22Å; R1510-V1520 PolarHBondContact N-O 2.99Å; R1510-V1520 PolarHBondContact O-N 3.06Å; V1512-V1520 HydrophobicContact CG2-CG2 3.62Å; V1520-F1522 HydrophobicContact CB-CE2 3.89Å; V1520-F1522 HydrophobicContact CB-CZ 4.28Å; V1520-F1522 HydrophobicContact CG1-CD2 4.35Å; V1520-F1522 HydrophobicContact CG1-CE1 4.23Å; V1520-F1522 HydrophobicContact CG1-CE2 3.8Å; V1520-F1522 HydrophobicContact CG1-CZ 4.06Å; V1520-F1522 VanDerWaalsContact O-CD2 3.23Å; V1520-F1522 WeakPolarHBondContact O-CD2 3.35Å; V1520-F1522 WeakPolarHBondContact O-CE2 3.4Å; V1520-F1627 HydrophobicContact CG2-CD1 3.81Å; V1520-F1627 HydrophobicContact CG2-CE1 3.79Å |
| 1521 | C | 86.1 | Confident | 64.2 | Low | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.7 | 176.3 | -169.3 | 0 | 0 | 0 | 0 | 111.5 | Y1409 H1508 F1509 V1626 Y1734 | Y1409-C1521 PolarHBondContact OH-O 3.05Å; H1508-C1521 CarbonylContact O-C 3.45Å; H1508-C1521 WeakPolarHBondContact O-CA 3.2Å; F1509-C1521 HydrophobicContact CD1-CB 3.91Å; F1509-C1521 HydrophobicContact CE1-CB 3.46Å; F1509-C1521 VanDerWaalsContact CE1-CB 3.45Å; F1509-C1521 HydrophobicContact CZ-CB 3.97Å; C1521-V1626 HydrophobicContact CB-CB 3.99Å; C1521-V1626 HydrophobicContact CB-CG1 4.24Å; C1521-V1626 VanDerWaalsContact CB-O 3.32Å; C1521-V1626 WeakPolarHBondContact CB-O 3.43Å; C1521-V1626 PolarHBondContact N-O 3.22Å; C1521-V1626 VanDerWaalsContact N-O 3.08Å; C1521-Y1734 HydrophobicContact CB-CD1 4.02Å; C1521-Y1734 HydrophobicContact CB-CE1 4.08Å; C1521-Y1734 VanDerWaalsContact SG-CD1 3.57Å |
| 1522 | F | 80.6 | Confident | 61.6 | Low | 42.2 Ų | 42.2 | 78.9 Ų | 78.9 | 19% | 0.185 | 43% | 0.434 | C | S | . | . | trans | -120.4 | 90.3 | 168.7 | -65.3 | -95.9 | 0 | 0 | 0 | 106.9 | K1413 H1508 R1510 V1520 | K1413-F1522 HydrophobicContact CB-CE1 4.28Å; K1413-F1522 HydrophobicContact CG-CD1 4.29Å; K1413-F1522 HydrophobicContact CG-CE1 3.8Å; K1413-F1522 HydrophobicContact CG-CZ 4.23Å; H1508-F1522 PolarHBondContact O-N 3.07Å; R1510-F1522 HydrophobicContact CB-CD2 4.08Å; R1510-F1522 HydrophobicContact CB-CE2 3.68Å; R1510-F1522 HydrophobicContact CB-CZ 4.43Å; R1510-F1522 HydrophobicContact CG-CD2 3.7Å; R1510-F1522 HydrophobicContact CG-CE2 3.69Å; R1510-F1522 HydrophobicContact CG-CG 4.39Å; R1510-F1522 HydrophobicContact CG-CZ 4.3Å; V1520-F1522 HydrophobicContact CB-CE2 3.89Å; V1520-F1522 HydrophobicContact CB-CZ 4.28Å; V1520-F1522 HydrophobicContact CG1-CD2 4.35Å; V1520-F1522 HydrophobicContact CG1-CE1 4.23Å; V1520-F1522 HydrophobicContact CG1-CE2 3.8Å; V1520-F1522 HydrophobicContact CG1-CZ 4.06Å; V1520-F1522 VanDerWaalsContact O-CD2 3.23Å; V1520-F1522 WeakPolarHBondContact O-CD2 3.35Å; V1520-F1522 WeakPolarHBondContact O-CE2 3.4Å | ||
| 1523 | P | 73.1 | Confident | 59.1 | Low | 27.8 Ų | 27.8 | 83.3 Ų | 83.3 | 18% | 0.181 | 47% | 0.465 | C | S | . | . | trans | -62.2 | 147.4 | -179 | 27 | -34.2 | 0 | 0 | 0 | 110.3 | E1525 Y1734 | P1523-E1525 PolarHBondContact O-N 2.99Å; P1523-E1525 VanDerWaalsContact O-N 3.13Å; P1523-Y1734 HydrophobicContact CB-CD1 4.48Å; P1523-Y1734 HydrophobicContact CB-CD2 4.49Å; P1523-Y1734 HydrophobicContact CB-CG 4.48Å; P1523-Y1734 HydrophobicContact CG-CD1 4.36Å; P1523-Y1734 HydrophobicContact CG-CD2 4.3Å; P1523-Y1734 HydrophobicContact CG-CE1 3.92Å; P1523-Y1734 HydrophobicContact CG-CE2 4.14Å; P1523-Y1734 HydrophobicContact CG-CG 4.49Å | ||
| 1524 | D | 66.3 | Low | 57 | Low | 72.6 Ų | 72.6 | 85.9 Ų | 85.9 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | trans | -55.8 | 121.6 | 172.8 | -63 | -35.3 | 0 | 0 | 0 | 108.4 | H1508 E1526 K1740 | H1508-D1524 IonicContact CE1-OD1 3.33Å; H1508-D1524 PolarHBondContact CE1-OD1 3.31Å; H1508-D1524 VanDerWaalsContact CE1-OD1 3.3Å; H1508-D1524 IonicContact CE1-OD2 3.38Å; H1508-D1524 PolarHBondContact CE1-OD2 3.34Å; H1508-D1524 VanDerWaalsContact CE1-OD2 3.29Å; H1508-D1524 IonicContact ND1-OD1 3.13Å; H1508-D1524 PolarHBondContact ND1-OD1 2.99Å; H1508-D1524 IonicContact ND1-OD2 3.27Å; D1524-E1526 VanDerWaalsContact C-N 3.34Å; D1524-E1526 PolarHBondContact O-N 3.1Å; D1524-E1526 VanDerWaalsContact O-N 3.08Å; D1524-K1740 IonicContact OD2-NZ 3.34Å; D1524-K1740 PolarHBondContact OD2-NZ 3.02Å | ||
| 1525 | E | 55.3 | Low | 55 | Low | 178 Ų | 178 | 87.8 Ų | 87.8 | 83% | 0.832 | 48% | 0.482 | S | S | * | . | trans | -62.9 | 107.1 | 174.3 | -70.8 | -166.3 | 167.8 | 0 | 0 | 108.3 | P1523 S1527 | P1523-E1525 PolarHBondContact O-N 2.99Å; P1523-E1525 VanDerWaalsContact O-N 3.13Å; E1525-S1527 VanDerWaalsContact C-N 3.31Å; E1525-S1527 PolarHBondContact O-N 3.21Å; E1525-S1527 VanDerWaalsContact O-N 3.08Å | ||
| 1526 | E | 41.9 | Very low | 52.8 | Low | 122.6 Ų | 122.6 | 92.3 Ų | 92.3 | 57% | 0.573 | 51% | 0.514 | S | S | * | . | trans | -60.5 | 109.6 | 170.7 | -72 | -170.9 | 169 | 0 | 0 | 107.5 | D1524 F1528 | D1524-E1526 VanDerWaalsContact C-N 3.34Å; D1524-E1526 PolarHBondContact O-N 3.1Å; D1524-E1526 VanDerWaalsContact O-N 3.08Å; E1526-F1528 VanDerWaalsContact C-N 3.29Å; E1526-F1528 HydrophobicContact CB-CD2 4.42Å; E1526-F1528 HydrophobicContact CB-CE2 4.49Å; E1526-F1528 WeakPolarHBondContact O-CD2 3.26Å; E1526-F1528 PolarHBondContact O-N 3.15Å | ||
| 1527 | S | 33.5 | Very low | 50.6 | Low | 103 Ų | 103 | 93.1 Ų | 93.1 | 72% | 0.72 | 53% | 0.526 | S | S | * | . | trans | -59.6 | 98.6 | 169.1 | 55.3 | 0 | 0 | 0 | 0 | 107.9 | E1525 D1529 | E1525-S1527 VanDerWaalsContact C-N 3.31Å; E1525-S1527 PolarHBondContact O-N 3.21Å; E1525-S1527 VanDerWaalsContact O-N 3.08Å; S1527-D1529 PolarHBondContact O-N 2.89Å | ||
| 1528 | F | 31.7 | Very low | 48.2 | Very low | 179.4 Ų | 179.4 | 98.8 Ų | 98.8 | 79% | 0.787 | 55% | 0.55 | S | S | * | * | trans | -68.4 | 65.6 | 173 | -93.2 | -89 | 0 | 0 | 0 | 110.4 | E1526 S1530 | E1526-F1528 VanDerWaalsContact C-N 3.29Å; E1526-F1528 HydrophobicContact CB-CD2 4.42Å; E1526-F1528 HydrophobicContact CB-CE2 4.49Å; E1526-F1528 WeakPolarHBondContact O-CD2 3.26Å; E1526-F1528 PolarHBondContact O-N 3.15Å; F1528-S1530 PolarHBondContact O-N 2.83Å | ||
| 1529 | D | 28.6 | Very low | 45.5 | Very low | 154.4 Ų | 154.4 | 109.1 Ų | 109.1 | 83% | 0.826 | 59% | 0.589 | S | S | * | * | trans | -100.6 | 70.7 | 166.2 | -95.9 | -20.2 | 0 | 0 | 0 | 109.2 | S1527 | S1527-D1529 PolarHBondContact O-N 2.89Š| ||
| 1530 | S | 28 | Very low | 42.7 | Very low | 94.2 Ų | 94.2 | 117.6 Ų | 117.6 | 66% | 0.659 | 63% | 0.629 | S | S | * | * | trans | -151.6 | 87 | 160 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | F1528 | F1528-S1530 PolarHBondContact O-N 2.83Š| ||
| 1531 | T | 29 | Very low | 39.8 | Very low | 129.6 Ų | 129.6 | 120.7 Ų | 120.7 | 80% | 0.795 | 66% | 0.661 | S | S | * | * | trans | -71.5 | 119.5 | 145.7 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | S1533 | T1531-S1533 PolarHBondContact O-N 3.15Å; T1531-S1533 VanDerWaalsContact O-N 3.11Å | ||
| 1532 | P | 29.5 | Very low | 37.1 | Very low | 128.4 Ų | 128.4 | 127.4 Ų | 127.4 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | -80.2 | 97.2 | 178.3 | 31.4 | -30.5 | 0 | 0 | 0 | 109.4 | M1534 | P1532-M1534 VanDerWaalsContact C-N 3.32Å; P1532-M1534 PolarHBondContact O-N 3.34Å | ||
| 1533 | S | 27.8 | Very low | 34.4 | Very low | 102.2 Ų | 102.2 | 130.3 Ų | 130.3 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | trans | -93.2 | 107.3 | 161.5 | 102.3 | 0 | 0 | 0 | 0 | 109.9 | T1531 N1535 | T1531-S1533 PolarHBondContact O-N 3.15Å; T1531-S1533 VanDerWaalsContact O-N 3.11Å; S1533-N1535 VanDerWaalsContact C-N 3.27Å; S1533-N1535 PolarHBondContact O-N 3.18Å; S1533-N1535 PolarHBondContact OG-ND2 2.89Å | ||
| 1534 | M | 26.6 | Very low | 32.3 | Very low | 164.6 Ų | 164.6 | 135 Ų | 135 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | trans | -34.3 | 102.9 | 156.1 | -78.4 | -88.9 | -79.3 | 0 | 0 | 112 | P1532 | P1532-M1534 VanDerWaalsContact C-N 3.32Å; P1532-M1534 PolarHBondContact O-N 3.34Å | ||
| 1535 | N | 29.7 | Very low | 30.4 | Very low | 140.8 Ų | 140.8 | 139.4 Ų | 139.4 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -169.5 | 89.4 | 149.2 | -81.1 | -34.7 | 0 | 0 | 0 | 111.8 | S1533 A1537 | S1533-N1535 VanDerWaalsContact C-N 3.27Å; S1533-N1535 PolarHBondContact O-N 3.18Å; S1533-N1535 PolarHBondContact OG-ND2 2.89Å; N1535-A1537 VanDerWaalsContact C-N 3.33Å; N1535-A1537 PolarHBondContact O-N 3.13Å | ||
| 1536 | V | 28.5 | Very low | 29 | Very low | 141.8 Ų | 141.8 | 135.1 Ų | 135.1 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -77 | 102.2 | 153.3 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1537 | A | 26.6 | Very low | 28.3 | Very low | 78.2 Ų | 78.2 | 137.4 Ų | 137.4 | 65% | 0.646 | 78% | 0.784 | S | S | * | * | trans | -152.3 | 124.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114 | N1535 | N1535-A1537 VanDerWaalsContact C-N 3.33Å; N1535-A1537 PolarHBondContact O-N 3.13Å | ||
| 1538 | Q | 30.4 | Very low | 27.9 | Very low | 182.6 Ų | 182.6 | 143.3 Ų | 143.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | 104.5 | 98.3 | 124.6 | -133.8 | 169.9 | -10.8 | 0 | 0 | 114.3 | Q1540 | Q1538-Q1540 VanDerWaalsContact C-N 3.35Å; Q1538-Q1540 HydrophobicContact CG-CG 4.49Å | |||
| 1539 | R | 28.2 | Very low | 27.7 | Very low | 239.2 Ų | 239.2 | 144.5 Ų | 144.5 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | trans | -112.1 | 113.4 | 139.2 | -80.8 | -170.7 | 174.2 | 178 | -0.7 | 112.7 | ||||
| 1540 | Q | 28.4 | Very low | 27.6 | Very low | 184.4 Ų | 184.4 | 143.8 Ų | 143.8 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | trans | -32 | 138.8 | 157.5 | -69.5 | 173.7 | -14.7 | 0 | 0 | 111.2 | Q1538 T1542 | Q1538-Q1540 VanDerWaalsContact C-N 3.35Å; Q1538-Q1540 HydrophobicContact CG-CG 4.49Å; Q1540-T1542 PolarHBondContact O-N 2.77Å | ||
| 1541 | G | 25.9 | Very low | 27.5 | Very low | 68.8 Ų | 68.8 | 143.4 Ų | 143.4 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | -141.7 | 140.1 | -155.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1543 | G1541-S1543 PolarHBondContact O-N 3.3Š| ||
| 1542 | T | 28.4 | Very low | 27.4 | Very low | 140.8 Ų | 140.8 | 143.8 Ų | 143.8 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | 178.5 | 109.5 | 133.1 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | Q1540 T1544 | Q1540-T1542 PolarHBondContact O-N 2.77Å; T1542-T1544 VanDerWaalsContact C-N 3.26Å; T1542-T1544 PolarHBondContact O-N 3.47Å | ||
| 1543 | S | 25.4 | Very low | 27.4 | Very low | 103.4 Ų | 103.4 | 143.2 Ų | 143.2 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | -44.3 | 124.2 | 144.5 | 62.2 | 0 | 0 | 0 | 0 | 115.2 | G1541 L1545 | G1541-S1543 PolarHBondContact O-N 3.3Å; S1543-L1545 PolarHBondContact O-N 3.28Å; S1543-L1545 VanDerWaalsContact O-N 3.08Å | ||
| 1544 | T | 28.1 | Very low | 27.5 | Very low | 126.6 Ų | 126.6 | 144.9 Ų | 144.9 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | 158.2 | 116.1 | 148.1 | 51.2 | 0 | 0 | 0 | 0 | 114.9 | T1542 A1546 | T1542-T1544 VanDerWaalsContact C-N 3.26Å; T1542-T1544 PolarHBondContact O-N 3.47Å; T1544-A1546 VanDerWaalsContact C-N 3.25Å; T1544-A1546 PolarHBondContact O-N 3.46Å | ||
| 1545 | L | 26.6 | Very low | 27.5 | Very low | 165 Ų | 165 | 144 Ų | 144 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 28.6 | 112.8 | 151.5 | -75.8 | 116 | 0 | 0 | 0 | 116.8 | S1543 | S1543-L1545 PolarHBondContact O-N 3.28Å; S1543-L1545 VanDerWaalsContact O-N 3.08Å | ||
| 1546 | A | 26.4 | Very low | 27.5 | Very low | 88 Ų | 88 | 144 Ų | 144 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | -134.5 | 130.6 | 51.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T1544 R1548 | T1544-A1546 VanDerWaalsContact C-N 3.25Å; T1544-A1546 PolarHBondContact O-N 3.46Å; A1546-R1548 PolarHBondContact O-N 3.03Å | |||
| 1547 | H | 26.5 | Very low | 27.4 | Very low | 169.8 Ų | 169.8 | 148.4 Ų | 148.4 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -15.7 | 111.8 | 161.5 | -80 | -50.5 | 0 | 0 | 0 | 116.3 | R1549 | H1547-R1549 VanDerWaalsContact C-N 3.32Å; H1547-R1549 PolarHBondContact O-N 3.26Å | ||
| 1548 | R | 26.2 | Very low | 27.5 | Very low | 226.4 Ų | 226.4 | 153.7 Ų | 153.7 | 85% | 0.854 | 78% | 0.776 | S | S | * | * | trans | -120.9 | 114.9 | 141.6 | -110.7 | -177.6 | -176.1 | -176.1 | 1.5 | 111.6 | A1546 N1550 | A1546-R1548 PolarHBondContact O-N 3.03Å; R1548-N1550 PolarHBondContact O-N 3.45Å | ||
| 1549 | R | 26.8 | Very low | 27.5 | Very low | 204.4 Ų | 204.4 | 149.8 Ų | 149.8 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | -66 | 112 | 162.6 | -71.3 | 178.7 | 175.5 | 143.8 | -5.9 | 112.2 | H1547 A1551 D2006 | H1547-R1549 VanDerWaalsContact C-N 3.32Å; H1547-R1549 PolarHBondContact O-N 3.26Å; R1549-A1551 VanDerWaalsContact C-N 3.32Å; R1549-A1551 PolarHBondContact O-N 2.95Å; R1549-D2006 IonicContact CZ-OD2 3.83Å; R1549-D2006 IonicContact NH2-OD2 3.44Å; R1549-D2006 PolarHBondContact NH2-OD2 3.49Å | ||
| 1550 | N | 26.3 | Very low | 27.5 | Very low | 141.2 Ų | 141.2 | 148 Ų | 148 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -169 | 103.6 | 146.9 | -75.4 | -8.8 | 0 | 0 | 0 | 110.8 | R1548 D1552 | R1548-N1550 PolarHBondContact O-N 3.45Å; N1550-D1552 PolarHBondContact O-N 3.22Å | ||
| 1551 | A | 27 | Very low | 27.5 | Very low | 84.2 Ų | 84.2 | 145.7 Ų | 145.7 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | trans | -63.3 | 89.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1549 V1553 | R1549-A1551 VanDerWaalsContact C-N 3.32Å; R1549-A1551 PolarHBondContact O-N 2.95Å; A1551-V1553 WeakPolarHBondContact O-CG2 3.19Å; A1551-V1553 PolarHBondContact O-N 3.27Å | ||
| 1552 | D | 26.6 | Very low | 27.6 | Very low | 139.6 Ų | 139.6 | 146 Ų | 146 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | trans | -130.3 | 91.3 | 155.9 | -88.1 | -36.1 | 0 | 0 | 0 | 109.1 | N1550 L1554 | N1550-D1552 PolarHBondContact O-N 3.22Å; D1552-L1554 PolarHBondContact O-N 2.96Å | ||
| 1553 | V | 30 | Very low | 27.5 | Very low | 114.6 Ų | 114.6 | 146.1 Ų | 146.1 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | -110.1 | 89.7 | 173.1 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | A1551 L1555 | A1551-V1553 WeakPolarHBondContact O-CG2 3.19Å; A1551-V1553 PolarHBondContact O-N 3.27Å; V1553-L1555 HydrophobicContact CG1-CB 3.53Å; V1553-L1555 HydrophobicContact CG1-CD1 3.83Å; V1553-L1555 HydrophobicContact CG1-CD2 4.03Å; V1553-L1555 HydrophobicContact CG1-CG 3.74Å; V1553-L1555 PolarHBondContact O-N 3.15Å | ||
| 1554 | L | 28.2 | Very low | 27.4 | Very low | 138 Ų | 138 | 150.3 Ų | 150.3 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | trans | -76.2 | 97.2 | 157.2 | -73.9 | 171.1 | 0 | 0 | 0 | 109.3 | D1552 F1556 | D1552-L1554 PolarHBondContact O-N 2.96Å; L1554-F1556 HydrophobicContact CB-CD2 3.69Å; L1554-F1556 HydrophobicContact CB-CE2 3.28Å; L1554-F1556 HydrophobicContact CB-CZ 4.17Å; L1554-F1556 HydrophobicContact CD1-CE2 3.59Å; L1554-F1556 HydrophobicContact CD1-CZ 3.88Å; L1554-F1556 HydrophobicContact CG-CE2 4.07Å; L1554-F1556 WeakPolarHBondContact O-CD2 3.27Å; L1554-F1556 PolarHBondContact O-N 3.18Å; L1554-F1556 VanDerWaalsContact O-N 3.08Å | ||
| 1555 | L | 26.7 | Very low | 27.3 | Very low | 146.8 Ų | 146.8 | 152.8 Ų | 152.8 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -48.7 | 110.4 | 157.9 | -68.1 | 169.1 | 0 | 0 | 0 | 109.7 | V1553 R1557 | V1553-L1555 HydrophobicContact CG1-CB 3.53Å; V1553-L1555 HydrophobicContact CG1-CD1 3.83Å; V1553-L1555 HydrophobicContact CG1-CD2 4.03Å; V1553-L1555 HydrophobicContact CG1-CG 3.74Å; V1553-L1555 PolarHBondContact O-N 3.15Å; L1555-R1557 PolarHBondContact O-N 3.26Å; L1555-R1557 VanDerWaalsContact O-N 3.15Å | ||
| 1556 | F | 30.7 | Very low | 27.3 | Very low | 140.4 Ų | 140.4 | 150.3 Ų | 150.3 | 62% | 0.616 | 75% | 0.754 | S | S | * | * | trans | -85.6 | 106.5 | 147.5 | -75.2 | -88.4 | 0 | 0 | 0 | 110.4 | L1554 R1558 E1792 I1794 L2013 | L1554-F1556 HydrophobicContact CB-CD2 3.69Å; L1554-F1556 HydrophobicContact CB-CE2 3.28Å; L1554-F1556 HydrophobicContact CB-CZ 4.17Å; L1554-F1556 HydrophobicContact CD1-CE2 3.59Å; L1554-F1556 HydrophobicContact CD1-CZ 3.88Å; L1554-F1556 HydrophobicContact CG-CE2 4.07Å; L1554-F1556 WeakPolarHBondContact O-CD2 3.27Å; L1554-F1556 PolarHBondContact O-N 3.18Å; L1554-F1556 VanDerWaalsContact O-N 3.08Å; F1556-R1558 PolarHBondContact O-N 2.88Å; F1556-E1792 WeakPolarHBondContact CB-OE1 3.31Å; F1556-E1792 VanDerWaalsContact CD1-OE1 3.3Å; F1556-E1792 WeakPolarHBondContact CD1-OE1 3.25Å; F1556-I1794 HydrophobicContact CD1-CG1 4.09Å; F1556-I1794 HydrophobicContact CE1-CB 4.07Å; F1556-I1794 HydrophobicContact CE1-CD1 4.03Å; F1556-I1794 HydrophobicContact CE1-CG1 3.72Å; F1556-I1794 HydrophobicContact CE1-CG2 3.64Å; F1556-I1794 HydrophobicContact CZ-CG2 4.26Å; F1556-L2013 HydrophobicContact CE2-CD1 4.46Å; F1556-L2013 HydrophobicContact CZ-CD1 3.94Å | ||
| 1557 | R | 26.6 | Very low | 27.3 | Very low | 234 Ų | 234 | 152.7 Ų | 152.7 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -93.5 | 100.4 | 167.4 | -134 | 178.8 | -170.7 | 174.6 | 3.4 | 108.7 | L1555 S1559 | L1555-R1557 PolarHBondContact O-N 3.26Å; L1555-R1557 VanDerWaalsContact O-N 3.15Å; R1557-S1559 PolarHBondContact O-N 3.25Å | ||
| 1558 | R | 28.4 | Very low | 27.3 | Very low | 190.4 Ų | 190.4 | 151.6 Ų | 151.6 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -54.1 | 112.1 | 168.3 | -115.1 | 176 | -176.7 | 161.3 | 2.7 | 109.6 | F1556 R1560 E1999 D2006 | F1556-R1558 PolarHBondContact O-N 2.88Å; R1558-R1560 VanDerWaalsContact C-N 3.35Å; R1558-R1560 HydrophobicContact CG-CG 4.26Å; R1558-R1560 PolarHBondContact O-N 3.13Å; R1558-E1999 IonicContact NH2-OE1 3.95Å; R1558-E1999 PolarHBondContact NH2-OE1 2.98Å; R1558-D2006 IonicContact CZ-OD1 2.76Å; R1558-D2006 IonicContact CZ-OD2 3.89Å; R1558-D2006 IonicContact NH2-OD1 3.93Å; R1558-D2006 PolarHBondContact NH2-OD1 3.38Å; R1558-D2006 IonicContact NH2-OD2 3.71Å | ||
| 1559 | S | 29.9 | Very low | 27.2 | Very low | 100.8 Ų | 100.8 | 146.7 Ų | 146.7 | 71% | 0.705 | 76% | 0.759 | S | S | * | * | trans | -75.2 | 109.8 | 167.4 | -171.8 | 0 | 0 | 0 | 0 | 109 | R1557 N1561 | R1557-S1559 PolarHBondContact O-N 3.25Å; S1559-N1561 PolarHBondContact O-N 2.96Å; S1559-N1561 WeakPolarHBondContact OG-CB 3.5Å | ||
| 1560 | R | 28 | Very low | 27.3 | Very low | 201 Ų | 201 | 141 Ų | 141 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | trans | -76.7 | 110.3 | 166.6 | -87.3 | 178.4 | 169.4 | 164.8 | -4.4 | 107.5 | R1558 A1562 | R1558-R1560 VanDerWaalsContact C-N 3.35Å; R1558-R1560 HydrophobicContact CG-CG 4.26Å; R1558-R1560 PolarHBondContact O-N 3.13Å; R1560-A1562 HydrophobicContact CB-CB 4.18Å; R1560-A1562 PolarHBondContact O-N 2.86Å | ||
| 1561 | N | 28.1 | Very low | 27.4 | Very low | 135.8 Ų | 135.8 | 140.5 Ų | 140.5 | 73% | 0.726 | 76% | 0.758 | S | S | * | * | trans | -167.6 | 70.8 | 159.1 | -71.7 | -9.9 | 0 | 0 | 0 | 111.5 | S1559 N1785 | S1559-N1561 PolarHBondContact O-N 2.96Å; S1559-N1561 WeakPolarHBondContact OG-CB 3.5Å; N1561-N1785 PolarHBondContact O-OD1 3.27Å | ||
| 1562 | A | 28.6 | Very low | 27.5 | Very low | 74.4 Ų | 74.4 | 143.9 Ų | 143.9 | 62% | 0.615 | 76% | 0.764 | S | S | * | * | trans | -145.3 | 108.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108 | R1560 F1564 | R1560-A1562 HydrophobicContact CB-CB 4.18Å; R1560-A1562 PolarHBondContact O-N 2.86Å; A1562-F1564 VanDerWaalsContact C-N 3.32Å; A1562-F1564 HydrophobicContact CB-CD2 3.95Å; A1562-F1564 HydrophobicContact CB-CE2 4.24Å; A1562-F1564 PolarHBondContact O-N 3.37Å; A1562-F1564 VanDerWaalsContact O-N 3.16Å | ||
| 1563 | T | 25.6 | Very low | 27.6 | Very low | 142.6 Ų | 142.6 | 148 Ų | 148 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -67.3 | 110.9 | 172.8 | -19.5 | 0 | 0 | 0 | 0 | 108.8 | Q1565 | T1563-Q1565 VanDerWaalsContact C-N 3.31Å; T1563-Q1565 PolarHBondContact O-N 3.33Å | ||
| 1564 | F | 24.8 | Very low | 27.6 | Very low | 192.6 Ų | 192.6 | 146.6 Ų | 146.6 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -61.3 | 117.7 | 168 | -81.5 | -93.4 | 0 | 0 | 0 | 110.1 | A1562 P1566 | A1562-F1564 VanDerWaalsContact C-N 3.32Å; A1562-F1564 HydrophobicContact CB-CD2 3.95Å; A1562-F1564 HydrophobicContact CB-CE2 4.24Å; A1562-F1564 PolarHBondContact O-N 3.37Å; A1562-F1564 VanDerWaalsContact O-N 3.16Å; F1564-P1566 WeakPolarHBondContact O-CD 3.25Å | ||
| 1565 | Q | 25.3 | Very low | 27.6 | Very low | 178.6 Ų | 178.6 | 147.5 Ų | 147.5 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -93.1 | 127.7 | 146.4 | -85.4 | -179.4 | -9 | 0 | 0 | 108.3 | T1563 V1567 | T1563-Q1565 VanDerWaalsContact C-N 3.31Å; T1563-Q1565 PolarHBondContact O-N 3.33Å; Q1565-V1567 PolarHBondContact O-N 3.12Å | ||
| 1566 | P | 25.8 | Very low | 27.7 | Very low | 113.2 Ų | 113.2 | 147.4 Ų | 147.4 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | trans | -81.1 | 123.6 | 178.7 | 31.8 | -29.7 | 0 | 0 | 0 | 109.4 | F1564 D1568 | F1564-P1566 WeakPolarHBondContact O-CD 3.25Å; P1566-D1568 PolarHBondContact O-N 3.25Å | ||
| 1567 | V | 27.8 | Very low | 27.6 | Very low | 137.4 Ų | 137.4 | 148.2 Ų | 148.2 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | -94.5 | 113.5 | 162.9 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | Q1565 S1569 | Q1565-V1567 PolarHBondContact O-N 3.12Å; V1567-S1569 PolarHBondContact O-N 3.11Å | ||
| 1568 | D | 25.8 | Very low | 27.7 | Very low | 147.8 Ų | 147.8 | 141.2 Ų | 141.2 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -38.4 | 128.6 | 173.4 | -77.8 | -30.6 | 0 | 0 | 0 | 114.8 | P1566 A1570 | P1566-D1568 PolarHBondContact O-N 3.25Å; D1568-A1570 PolarHBondContact O-N 3.13Å | ||
| 1569 | S | 25.3 | Very low | 27.7 | Very low | 122.4 Ų | 122.4 | 138.6 Ų | 138.6 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -94.9 | 105 | 163.5 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | V1567 | V1567-S1569 PolarHBondContact O-N 3.11Š| ||
| 1570 | A | 28.2 | Very low | 27.5 | Very low | 85.6 Ų | 85.6 | 140.2 Ų | 140.2 | 71% | 0.707 | 79% | 0.791 | S | S | * | * | trans | -144.5 | 92.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1568 | D1568-A1570 PolarHBondContact O-N 3.13Š| ||
| 1571 | T | 29.1 | Very low | 27.5 | Very low | 130.2 Ų | 130.2 | 135.9 Ų | 135.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | 92.4 | 109 | 128.4 | 50.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1572 | L | 27.5 | Very low | 27.4 | Very low | 155.2 Ų | 155.2 | 137.7 Ų | 137.7 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -120.6 | 130.5 | 133.5 | -80.8 | 159.1 | 0 | 0 | 0 | 109.6 | ||||
| 1573 | Y | 30.2 | Very low | 27.3 | Very low | 225.2 Ų | 225.2 | 141.7 Ų | 141.7 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -111.4 | 142.3 | 153.3 | -70.8 | -73.4 | 0 | 0 | 0 | 113.2 | ||||
| 1574 | A | 28.5 | Very low | 27.4 | Very low | 86.6 Ų | 86.6 | 143.8 Ų | 143.8 | 72% | 0.716 | 80% | 0.804 | S | S | * | * | trans | -38.3 | 148.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1575 | D | 28.3 | Very low | 27.7 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | 131.9 | 114.2 | 157.3 | -88.8 | -6.3 | 0 | 0 | 0 | 114.4 | D1577 | D1575-D1577 PolarHBondContact O-N 2.91Š| ||
| 1576 | D | 29.5 | Very low | 27.9 | Very low | 145.6 Ų | 145.6 | 136.8 Ų | 136.8 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | 59.5 | 119.2 | 137.2 | -74.3 | -23.9 | 0 | 0 | 0 | 114.9 | ||||
| 1577 | D | 28.8 | Very low | 27.9 | Very low | 156.2 Ų | 156.2 | 137.5 Ų | 137.5 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 97.9 | 114.5 | 145.4 | -85.8 | -18.7 | 0 | 0 | 0 | 118.1 | D1575 T1579 | D1575-D1577 PolarHBondContact O-N 2.91Å; D1577-T1579 PolarHBondContact O-N 3.28Å | ||
| 1578 | A | 27.8 | Very low | 27.8 | Very low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | 29.7 | 105.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1580 | A1578-T1580 PolarHBondContact O-N 2.95Å; A1578-T1580 VanDerWaalsContact O-N 3.16Å | ||
| 1579 | T | 29.5 | Very low | 28.1 | Very low | 136.6 Ų | 136.6 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | -170.1 | 131.1 | 118.7 | 34.7 | 0 | 0 | 0 | 0 | 110.9 | D1577 S1581 | D1577-T1579 PolarHBondContact O-N 3.28Å; T1579-S1581 PolarHBondContact O-N 3.09Å | |||
| 1580 | T | 25.9 | Very low | 28.2 | Very low | 134.8 Ų | 134.8 | 138.9 Ų | 138.9 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -39.3 | 114.5 | 164.1 | 46.9 | 0 | 0 | 0 | 0 | 114.8 | A1578 E1582 | A1578-T1580 PolarHBondContact O-N 2.95Å; A1578-T1580 VanDerWaalsContact O-N 3.16Å; T1580-E1582 PolarHBondContact O-N 2.96Å | ||
| 1581 | S | 26.8 | Very low | 28.3 | Very low | 110.4 Ų | 110.4 | 142.9 Ų | 142.9 | 77% | 0.772 | 81% | 0.806 | S | S | * | * | trans | -154.7 | 122.1 | 131.5 | -123 | 0 | 0 | 0 | 0 | 110.4 | T1579 L1583 | T1579-S1581 PolarHBondContact O-N 3.09Å; S1581-L1583 PolarHBondContact O-N 3.22Å | ||
| 1582 | E | 26.1 | Very low | 28.2 | Very low | 173.2 Ų | 173.2 | 140.3 Ų | 140.3 | 81% | 0.809 | 81% | 0.805 | S | S | * | * | trans | 25 | 126.7 | 160.3 | -55.9 | -169 | 169.7 | 0 | 0 | 114.3 | T1580 | T1580-E1582 PolarHBondContact O-N 2.96Š| ||
| 1583 | L | 27.4 | Very low | 28.2 | Very low | 159.2 Ų | 159.2 | 136.2 Ų | 136.2 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -141.9 | 107.2 | 142.4 | -80.9 | 155.9 | 0 | 0 | 0 | 111 | S1581 | S1581-L1583 PolarHBondContact O-N 3.22Š| ||
| 1584 | F | 26.3 | Very low | 28 | Very low | 186.6 Ų | 186.6 | 134.3 Ų | 134.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -20.9 | 135.6 | 148.3 | -66.5 | -81.3 | 0 | 0 | 0 | 114.4 | ||||
| 1585 | P | 31.5 | Very low | 28.1 | Very low | 111.6 Ų | 111.6 | 136.3 Ų | 136.3 | 73% | 0.725 | 81% | 0.806 | S | S | * | * | trans | -96.3 | 152 | 168.3 | 12.5 | 4.6 | 0 | 0 | 0 | 110.9 | C1587 | P1585-C1587 PolarHBondContact O-N 3.18Š| ||
| 1586 | P | 30.3 | Very low | 27.9 | Very low | 112.4 Ų | 112.4 | 135 Ų | 135 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | -74.9 | 136.7 | -178.9 | 33.7 | -31.7 | 0 | 0 | 0 | 110.6 | D1588 | P1586-D1588 VanDerWaalsContact C-N 3.31Å; P1586-D1588 PolarHBondContact O-N 3.06Å | ||
| 1587 | C | 25.7 | Very low | 27.8 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | trans | -104.6 | 108.8 | 162.3 | -80.4 | 0 | 0 | 0 | 0 | 109.8 | P1585 T1589 | P1585-C1587 PolarHBondContact O-N 3.18Å; C1587-T1589 PolarHBondContact O-N 2.8Å | ||
| 1588 | D | 26.2 | Very low | 27.6 | Very low | 148.2 Ų | 148.2 | 137.1 Ų | 137.1 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -74 | 132.3 | 168.2 | -66.7 | -55.3 | 0 | 0 | 0 | 111 | P1586 D1590 | P1586-D1588 VanDerWaalsContact C-N 3.31Å; P1586-D1588 PolarHBondContact O-N 3.06Å; D1588-D1590 PolarHBondContact O-N 3.26Å | ||
| 1589 | T | 31 | Very low | 27.6 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -97.8 | 124.6 | 149.6 | 18.6 | 0 | 0 | 0 | 0 | 113.6 | C1587 | C1587-T1589 PolarHBondContact O-N 2.8Š| ||
| 1590 | D | 27.7 | Very low | 27.3 | Very low | 157.6 Ų | 157.6 | 142.4 Ų | 142.4 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -6.2 | 122.2 | 160.1 | -71.7 | -34.2 | 0 | 0 | 0 | 116.1 | D1588 | D1588-D1590 PolarHBondContact O-N 3.26Š| ||
| 1591 | D | 29.6 | Very low | 27.4 | Very low | 168.8 Ų | 168.8 | 140.7 Ų | 140.7 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | -149.6 | 146.3 | 120 | -149.4 | -6.9 | 0 | 0 | 0 | 111.7 | G1593 | D1591-G1593 PolarHBondContact O-N 2.68Š| |||
| 1592 | G | 27.5 | Very low | 27.4 | Very low | 75.4 Ų | 75.4 | 140.9 Ų | 140.9 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -46.1 | 101.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1593 | G | 27.7 | Very low | 27.5 | Very low | 69.8 Ų | 69.8 | 140.6 Ų | 140.6 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -149.5 | 63 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1591 V1595 | D1591-G1593 PolarHBondContact O-N 2.68Å; G1593-V1595 PolarHBondContact O-N 3.08Å; G1593-V1595 VanDerWaalsContact O-N 3.12Å | ||
| 1594 | M | 26.2 | Very low | 27.6 | Very low | 184.8 Ų | 184.8 | 139.9 Ų | 139.9 | 91% | 0.91 | 79% | 0.787 | S | S | * | * | trans | -59.9 | 106.8 | 167.5 | -79.3 | -108.1 | -164.6 | 0 | 0 | 109.6 | E1596 | M1594-E1596 PolarHBondContact O-N 3.24Å; M1594-E1596 VanDerWaalsContact O-N 3.11Å | ||
| 1595 | V | 29.6 | Very low | 27.7 | Very low | 129.6 Ų | 129.6 | 134.2 Ų | 134.2 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -89.3 | 89.7 | 160.2 | -178 | 0 | 0 | 0 | 0 | 106.8 | G1593 M1597 | G1593-V1595 PolarHBondContact O-N 3.08Å; G1593-V1595 VanDerWaalsContact O-N 3.12Å; V1595-M1597 HydrophobicContact CG1-CG 3.97Å; V1595-M1597 HydrophobicContact CG1-SD 4.17Å; V1595-M1597 PolarHBondContact O-N 3.23Å | ||
| 1596 | E | 24.9 | Very low | 27.4 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | trans | -72.1 | 94.2 | 172.3 | -161.3 | -177.2 | -167.9 | 0 | 0 | 107.7 | M1594 R1598 | M1594-E1596 PolarHBondContact O-N 3.24Å; M1594-E1596 VanDerWaalsContact O-N 3.11Å; E1596-R1598 VanDerWaalsContact CD-CZ 3.44Å; E1596-R1598 VanDerWaalsContact CD-NE 3.28Å; E1596-R1598 VanDerWaalsContact CD-NH2 3.3Å; E1596-R1598 HydrophobicContact CG-CG 4.12Å; E1596-R1598 PolarHBondContact O-N 3.13Å; E1596-R1598 IonicContact OE1-CZ 3.49Å; E1596-R1598 VanDerWaalsContact OE1-CZ 3.22Å; E1596-R1598 IonicContact OE1-NE 3.13Å; E1596-R1598 PolarHBondContact OE1-NE 3.16Å; E1596-R1598 IonicContact OE1-NH1 2.88Å; E1596-R1598 PolarHBondContact OE1-NH1 3.11Å; E1596-R1598 IonicContact OE1-NH2 3.12Å; E1596-R1598 PolarHBondContact OE1-NH2 3.32Å; E1596-R1598 IonicContact OE2-CZ 3.25Å; E1596-R1598 IonicContact OE2-NE 3.6Å; E1596-R1598 PolarHBondContact OE2-NE 2.96Å; E1596-R1598 IonicContact OE2-NH1 3.66Å; E1596-R1598 PolarHBondContact OE2-NH1 3.25Å; E1596-R1598 IonicContact OE2-NH2 3.2Å; E1596-R1598 PolarHBondContact OE2-NH2 3.28Å; E1596-R1598 VanDerWaalsContact OE2-NH2 3.13Å | ||
| 1597 | M | 26.8 | Very low | 27.2 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 78 | 166.7 | -73.7 | -73.9 | -83.9 | 0 | 0 | 108 | V1595 F1599 | V1595-M1597 HydrophobicContact CG1-CG 3.97Å; V1595-M1597 HydrophobicContact CG1-SD 4.17Å; V1595-M1597 PolarHBondContact O-N 3.23Å; M1597-F1599 VanDerWaalsContact C-N 3.32Å; M1597-F1599 PolarHBondContact O-N 3.06Å | ||
| 1598 | R | 25.4 | Very low | 27.3 | Very low | 175.6 Ų | 175.6 | 138.2 Ų | 138.2 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | -65 | 112.9 | 166.5 | -75.6 | -172.6 | 176.1 | 116.6 | 10.8 | 108.5 | E1596 D1600 | E1596-R1598 VanDerWaalsContact CD-CZ 3.44Å; E1596-R1598 VanDerWaalsContact CD-NE 3.28Å; E1596-R1598 VanDerWaalsContact CD-NH2 3.3Å; E1596-R1598 HydrophobicContact CG-CG 4.12Å; E1596-R1598 PolarHBondContact O-N 3.13Å; E1596-R1598 IonicContact OE1-CZ 3.49Å; E1596-R1598 VanDerWaalsContact OE1-CZ 3.22Å; E1596-R1598 IonicContact OE1-NE 3.13Å; E1596-R1598 PolarHBondContact OE1-NE 3.16Å; E1596-R1598 IonicContact OE1-NH1 2.88Å; E1596-R1598 PolarHBondContact OE1-NH1 3.11Å; E1596-R1598 IonicContact OE1-NH2 3.12Å; E1596-R1598 PolarHBondContact OE1-NH2 3.32Å; E1596-R1598 IonicContact OE2-CZ 3.25Å; E1596-R1598 IonicContact OE2-NE 3.6Å; E1596-R1598 PolarHBondContact OE2-NE 2.96Å; E1596-R1598 IonicContact OE2-NH1 3.66Å; E1596-R1598 PolarHBondContact OE2-NH1 3.25Å; E1596-R1598 IonicContact OE2-NH2 3.2Å; E1596-R1598 PolarHBondContact OE2-NH2 3.28Å; E1596-R1598 VanDerWaalsContact OE2-NH2 3.13Å; R1598-D1600 VanDerWaalsContact C-N 3.27Å; R1598-D1600 HydrophobicContact CB-CB 4.29Å; R1598-D1600 WeakPolarHBondContact CD-OD2 3.45Å; R1598-D1600 PolarHBondContact O-N 3.21Å | ||
| 1599 | F | 26.8 | Very low | 27.2 | Very low | 199.6 Ų | 199.6 | 136.4 Ų | 136.4 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -82.5 | 83.1 | 158.3 | -122.8 | -92.1 | 0 | 0 | 0 | 107.6 | M1597 S1601 | M1597-F1599 VanDerWaalsContact C-N 3.32Å; M1597-F1599 PolarHBondContact O-N 3.06Å; F1599-S1601 VanDerWaalsContact C-N 3.29Å; F1599-S1601 PolarHBondContact O-N 3.23Å | ||
| 1600 | D | 24.3 | Very low | 27.1 | Very low | 134.8 Ų | 134.8 | 136.3 Ų | 136.3 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -83.8 | 104.3 | 172.4 | -119.2 | -18.8 | 0 | 0 | 0 | 108.5 | R1598 T1602 | R1598-D1600 VanDerWaalsContact C-N 3.27Å; R1598-D1600 HydrophobicContact CB-CB 4.29Å; R1598-D1600 WeakPolarHBondContact CD-OD2 3.45Å; R1598-D1600 PolarHBondContact O-N 3.21Å; D1600-T1602 VanDerWaalsContact C-N 3.29Å; D1600-T1602 PolarHBondContact O-N 3.12Å | ||
| 1601 | S | 28.4 | Very low | 27 | Very low | 99.4 Ų | 99.4 | 133.3 Ų | 133.3 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | trans | -96.6 | 73.1 | 175.3 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | F1599 L1603 | F1599-S1601 VanDerWaalsContact C-N 3.29Å; F1599-S1601 PolarHBondContact O-N 3.23Å; S1601-L1603 PolarHBondContact O-N 2.84Å | ||
| 1602 | T | 26.3 | Very low | 26.9 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -124.9 | 75.4 | 160.9 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | D1600 | D1600-T1602 VanDerWaalsContact C-N 3.29Å; D1600-T1602 PolarHBondContact O-N 3.12Å | ||
| 1603 | L | 28.9 | Very low | 26.9 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -126.8 | 87.9 | 158.1 | -74.6 | 176.8 | 0 | 0 | 0 | 109.5 | S1601 G1605 | S1601-L1603 PolarHBondContact O-N 2.84Å; L1603-G1605 PolarHBondContact O-N 3.36Å | ||
| 1604 | T | 27.9 | Very low | 27 | Very low | 144.2 Ų | 144.2 | 136.4 Ų | 136.4 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -58.5 | 121 | 157.2 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1605 | G | 28.3 | Very low | 27.5 | Very low | 67.4 Ų | 67.4 | 131.1 Ų | 131.1 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | 168.9 | 93.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1603 S1607 | L1603-G1605 PolarHBondContact O-N 3.36Å; G1605-S1607 PolarHBondContact O-N 3Å | ||
| 1606 | D | 26.5 | Very low | 27.8 | Very low | 152.8 Ų | 152.8 | 129.6 Ų | 129.6 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | trans | -32.8 | 125.2 | 164.4 | -65.9 | -41.2 | 0 | 0 | 0 | 114.1 | ||||
| 1607 | S | 26.6 | Very low | 28.6 | Very low | 112.2 Ų | 112.2 | 128.2 Ų | 128.2 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | 142.8 | 79.7 | 158.2 | -24 | 0 | 0 | 0 | 0 | 112.5 | G1605 S1609 | G1605-S1607 PolarHBondContact O-N 3Å; S1607-S1609 PolarHBondContact O-N 3.18Å; S1607-S1609 VanDerWaalsContact O-N 3.1Å | ||
| 1608 | L | 26.2 | Very low | 29.4 | Very low | 169.6 Ų | 169.6 | 123.3 Ų | 123.3 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | -108 | 101.4 | 151 | -75.7 | 170.7 | 0 | 0 | 0 | 109.4 | V1610 | L1608-V1610 PolarHBondContact O-N 3.22Š| ||
| 1609 | S | 25.5 | Very low | 30.2 | Very low | 110.2 Ų | 110.2 | 119 Ų | 119 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | trans | -61.3 | 106.1 | 163.4 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | S1607 S1611 | S1607-S1609 PolarHBondContact O-N 3.18Å; S1607-S1609 VanDerWaalsContact O-N 3.1Å; S1609-S1611 VanDerWaalsContact C-N 3.3Å; S1609-S1611 PolarHBondContact O-N 3.01Å; S1609-S1611 VanDerWaalsContact O-N 3.1Å | ||
| 1610 | V | 27.8 | Very low | 31.3 | Very low | 130.8 Ų | 130.8 | 113.3 Ų | 113.3 | 79% | 0.793 | 70% | 0.701 | S | S | * | * | trans | -62.1 | 99.6 | 166.9 | 178.5 | 0 | 0 | 0 | 0 | 107.8 | L1608 S1612 | L1608-V1610 PolarHBondContact O-N 3.22Å; V1610-S1612 PolarHBondContact O-N 3.15Å; V1610-S1612 VanDerWaalsContact O-N 3.1Å; V1610-S1612 PolarHBondContact O-OG 3.36Å | ||
| 1611 | S | 26.4 | Very low | 32.7 | Very low | 94.2 Ų | 94.2 | 112.4 Ų | 112.4 | 66% | 0.659 | 70% | 0.696 | S | S | * | * | trans | -68.6 | 123.9 | 167.2 | 67.2 | 0 | 0 | 0 | 0 | 108.3 | S1609 C1613 | S1609-S1611 VanDerWaalsContact C-N 3.3Å; S1609-S1611 PolarHBondContact O-N 3.01Å; S1609-S1611 VanDerWaalsContact O-N 3.1Å; S1611-C1613 VanDerWaalsContact C-N 3.29Å; S1611-C1613 PolarHBondContact O-N 3.26Å | ||
| 1612 | S | 27.8 | Very low | 33.9 | Very low | 109.4 Ų | 109.4 | 114.7 Ų | 114.7 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | trans | -68.7 | 67.2 | -179.3 | 39.5 | 0 | 0 | 0 | 0 | 112.1 | V1610 E1614 | V1610-S1612 PolarHBondContact O-N 3.15Å; V1610-S1612 VanDerWaalsContact O-N 3.1Å; V1610-S1612 PolarHBondContact O-OG 3.36Å; S1612-E1614 VanDerWaalsContact C-N 3.27Å; S1612-E1614 PolarHBondContact O-N 3.18Å | ||
| 1613 | C | 26.7 | Very low | 35.7 | Very low | 109.4 Ų | 109.4 | 111.2 Ų | 111.2 | 74% | 0.739 | 68% | 0.679 | S | S | * | * | trans | -101.7 | 66.2 | 168 | -94.2 | 0 | 0 | 0 | 0 | 109.9 | S1611 T1615 | S1611-C1613 VanDerWaalsContact C-N 3.29Å; S1611-C1613 PolarHBondContact O-N 3.26Å; C1613-T1615 PolarHBondContact O-N 3.16Å | ||
| 1614 | E | 30.3 | Very low | 37.8 | Very low | 159.8 Ų | 159.8 | 104.6 Ų | 104.6 | 75% | 0.747 | 64% | 0.643 | S | S | * | * | trans | -77.4 | 61.4 | 170.8 | -67 | -176 | 161.6 | 0 | 0 | 110.9 | K1249 S1612 S1616 | K1249-E1614 IonicContact NZ-OE1 3.3Å; S1612-E1614 VanDerWaalsContact C-N 3.27Å; S1612-E1614 PolarHBondContact O-N 3.18Å; E1614-S1616 PolarHBondContact O-N 3.18Å | ||
| 1615 | T | 35.9 | Very low | 40.4 | Very low | 73.4 Ų | 73.4 | 97.8 Ų | 97.8 | 45% | 0.45 | 60% | 0.601 | S | S | . | * | trans | -70.9 | 58.6 | 164.6 | 36 | 0 | 0 | 0 | 0 | 111 | P1092 V1094 Y1104 W1192 C1613 F1617 | P1092-T1615 HydrophobicContact CG-CG2 4.24Å; V1094-T1615 HydrophobicContact CG2-CG2 3.34Å; Y1104-T1615 PolarHBondContact OH-OG1 3.43Å; W1192-T1615 WeakPolarHBondContact CH2-O 3.27Å; C1613-T1615 PolarHBondContact O-N 3.16Å; T1615-F1617 VanDerWaalsContact C-N 3.35Å; T1615-F1617 PolarHBondContact O-N 2.88Å | ||
| 1616 | S | 35.9 | Very low | 43.1 | Very low | 98.4 Ų | 98.4 | 94.6 Ų | 94.6 | 69% | 0.688 | 57% | 0.568 | S | S | * | * | trans | -84.8 | 116.8 | 163.9 | 57.2 | 0 | 0 | 0 | 0 | 108.3 | E1614 A1618 | E1614-S1616 PolarHBondContact O-N 3.18Å; S1616-A1618 VanDerWaalsContact C-N 3.29Å; S1616-A1618 PolarHBondContact O-N 3.02Å | ||
| 1617 | F | 41.8 | Very low | 46 | Very low | 98 Ų | 98 | 87.3 Ų | 87.3 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | trans | -56 | 120.9 | 161.5 | -66.1 | -76.5 | 0 | 0 | 0 | 106.6 | H1182 H1183 A1186 W1192 T1615 A1619 | H1182-F1617 HydrophobicContact CB-CD1 3.88Å; H1182-F1617 HydrophobicContact CB-CE1 3.33Å; H1182-F1617 VanDerWaalsContact CB-CE1 3.45Å; H1182-F1617 HydrophobicContact CB-CE2 4.29Å; H1182-F1617 HydrophobicContact CB-CG 4.37Å; H1182-F1617 HydrophobicContact CB-CZ 3.58Å; H1182-F1617 AromaticContact CG-CE1 3.73Å; H1182-F1617 AromaticContact ND1-CE1 3.53Å; H1182-F1617 WeakPolarHBondContact ND1-CE1 3.49Å; H1182-F1617 AromaticContact ND1-CZ 3.82Å; H1183-F1617 HydrophobicContact CB-CB 4.49Å; A1186-F1617 HydrophobicContact CB-CE2 4.47Å; W1192-F1617 AromaticContact CD2-CE2 3.84Å; W1192-F1617 HydrophobicContact CD2-CE2 3.94Å; W1192-F1617 AromaticContact CE2-CD2 3.98Å; W1192-F1617 AromaticContact CE2-CE2 3.58Å; W1192-F1617 AromaticContact CE3-CE2 3.91Å; W1192-F1617 HydrophobicContact CE3-CE2 4.06Å; W1192-F1617 HydrophobicContact CE3-CZ 4.41Å; W1192-F1617 AromaticContact CH2-CD2 3.96Å; W1192-F1617 HydrophobicContact CH2-CD2 3.98Å; W1192-F1617 AromaticContact CH2-CE2 3.51Å; W1192-F1617 HydrophobicContact CH2-CE2 3.51Å; W1192-F1617 VanDerWaalsContact CH2-CE2 3.47Å; W1192-F1617 HydrophobicContact CH2-CZ 4.15Å; W1192-F1617 AromaticContact CZ2-CD2 3.6Å; W1192-F1617 HydrophobicContact CZ2-CD2 3.6Å; W1192-F1617 AromaticContact CZ2-CE2 3.36Å; W1192-F1617 HydrophobicContact CZ2-CE2 3.36Å; W1192-F1617 HydrophobicContact CZ2-CZ 4.41Å; W1192-F1617 AromaticContact CZ3-CE2 3.85Å; W1192-F1617 HydrophobicContact CZ3-CE2 3.85Å; W1192-F1617 HydrophobicContact CZ3-CZ 4.19Å; T1615-F1617 VanDerWaalsContact C-N 3.35Å; T1615-F1617 PolarHBondContact O-N 2.88Å; F1617-A1619 VanDerWaalsContact C-N 3.32Å; F1617-A1619 PolarHBondContact O-N 3.39Å; F1617-A1619 VanDerWaalsContact O-N 3.15Å | ||
| 1618 | A | 42.8 | Very low | 49 | Very low | 68 Ų | 68 | 82 Ų | 82 | 56% | 0.562 | 49% | 0.492 | S | S | * | . | trans | -52.2 | 125.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | S1616 F1620 | S1616-A1618 VanDerWaalsContact C-N 3.29Å; S1616-A1618 PolarHBondContact O-N 3.02Å; A1618-F1620 HydrophobicContact CB-CE2 4.29Å; A1618-F1620 HydrophobicContact CB-CZ 4.13Å; A1618-F1620 WeakPolarHBondContact O-CD2 3.44Å; A1618-F1620 VanDerWaalsContact O-CE2 3.29Å; A1618-F1620 WeakPolarHBondContact O-CE2 3.41Å; A1618-F1620 PolarHBondContact O-N 3.11Å; A1618-F1620 VanDerWaalsContact O-N 3.1Å | ||
| 1619 | A | 43.4 | Very low | 52 | Low | 84.4 Ų | 84.4 | 75.6 Ų | 75.6 | 70% | 0.698 | 46% | 0.457 | S | S | * | . | trans | -57.1 | 111.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | F1617 D1621 | F1617-A1619 VanDerWaalsContact C-N 3.32Å; F1617-A1619 PolarHBondContact O-N 3.39Å; F1617-A1619 VanDerWaalsContact O-N 3.15Å; A1619-D1621 VanDerWaalsContact C-N 3.29Å; A1619-D1621 PolarHBondContact O-N 2.98Å; A1619-D1621 VanDerWaalsContact O-N 3.14Å | ||
| 1620 | F | 50.5 | Low | 55.1 | Low | 80.8 Ų | 80.8 | 70.3 Ų | 70.3 | 35% | 0.354 | 42% | 0.421 | S | S | . | . | trans | -64.4 | 95.5 | 177.8 | -84.7 | -88.1 | 0 | 0 | 0 | 108.4 | Q1179 V1180 H1183 A1406 V1410 A1618 N1622 T1623 | Q1179-F1620 HydrophobicContact CB-CE2 4.19Å; Q1179-F1620 HydrophobicContact CB-CZ 4.19Å; V1180-F1620 HydrophobicContact CB-CE2 4.48Å; V1180-F1620 HydrophobicContact CG1-CE2 4.47Å; V1180-F1620 HydrophobicContact CG1-CZ 4.46Å; V1180-F1620 HydrophobicContact CG2-CD1 4.24Å; V1180-F1620 HydrophobicContact CG2-CD2 3.9Å; V1180-F1620 HydrophobicContact CG2-CE1 4.01Å; V1180-F1620 HydrophobicContact CG2-CE2 3.54Å; V1180-F1620 HydrophobicContact CG2-CG 4.25Å; V1180-F1620 HydrophobicContact CG2-CZ 3.86Å; H1183-F1620 HydrophobicContact CB-CD2 4.03Å; H1183-F1620 HydrophobicContact CB-CE2 4.46Å; H1183-F1620 AromaticContact CD2-CD2 3.93Å; A1406-F1620 HydrophobicContact CB-CZ 4.22Å; V1410-F1620 HydrophobicContact CB-CE2 4.31Å; V1410-F1620 HydrophobicContact CG1-CE1 4.15Å; V1410-F1620 HydrophobicContact CG2-CD1 4.17Å; V1410-F1620 HydrophobicContact CG2-CE1 4.33Å; V1410-F1620 HydrophobicContact CG2-CE2 3.58Å; V1410-F1620 HydrophobicContact CG2-CZ 3.59Å; A1618-F1620 HydrophobicContact CB-CE2 4.29Å; A1618-F1620 HydrophobicContact CB-CZ 4.13Å; A1618-F1620 WeakPolarHBondContact O-CD2 3.44Å; A1618-F1620 VanDerWaalsContact O-CE2 3.29Å; A1618-F1620 WeakPolarHBondContact O-CE2 3.41Å; A1618-F1620 PolarHBondContact O-N 3.11Å; A1618-F1620 VanDerWaalsContact O-N 3.1Å; F1620-N1622 PolarHBondContact O-N 3.2Å; F1620-T1623 PolarHBondContact O-N 3.12Å; F1620-T1623 PolarHBondContact O-OG1 2.7Å | ||
| 1621 | D | 52 | Low | 57.9 | Low | 116 Ų | 116 | 64.7 Ų | 64.7 | 62% | 0.62 | 39% | 0.387 | S | S | * | . | trans | -55.3 | 132.8 | 175.6 | -78.2 | -29.7 | 0 | 0 | 0 | 108.5 | H1183 K1187 A1619 T1623 | H1183-D1621 IonicContact CE1-OD1 2.75Å; H1183-D1621 IonicContact NE2-OD1 3.36Å; H1183-D1621 PolarHBondContact NE2-OD1 2.99Å; H1183-D1621 VanDerWaalsContact NE2-OD1 3.12Å; K1187-D1621 WeakPolarHBondContact CE-OD1 3.35Å; K1187-D1621 IonicContact NZ-OD1 3.11Å; K1187-D1621 PolarHBondContact NZ-OD1 3.38Å; A1619-D1621 VanDerWaalsContact C-N 3.29Å; A1619-D1621 PolarHBondContact O-N 2.98Å; A1619-D1621 VanDerWaalsContact O-N 3.14Å; D1621-T1623 HydrophobicContact CB-CG2 4.18Å; D1621-T1623 WeakPolarHBondContact O-CA 3.5Å; D1621-T1623 WeakPolarHBondContact O-CB 3.39Å; D1621-T1623 PolarHBondContact O-N 3.1Å; D1621-T1623 PolarHBondContact O-OG1 3.11Å | ||
| 1622 | N | 54.7 | Low | 61 | Low | 148.2 Ų | 148.2 | 60.3 Ų | 60.3 | 79% | 0.793 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -73.1 | 27.8 | 179.7 | -77.4 | -12.6 | 0 | 0 | 0 | 113.5 | F1620 Y1624 | F1620-N1622 PolarHBondContact O-N 3.2Å; N1622-Y1624 WeakPolarHBondContact O-CD1 3.45Å; N1622-Y1624 PolarHBondContact O-N 3.15Å |
| 1623 | T | 63.8 | Low | 63.9 | Low | 42 Ų | 42 | 55 Ų | 55 | 26% | 0.258 | 32% | 0.319 | S | S | . | . | trans | -86 | 111 | 178.9 | 48.5 | 0 | 0 | 0 | 0 | 109.4 | F1620 D1621 Y1734 | F1620-T1623 PolarHBondContact O-N 3.12Å; F1620-T1623 PolarHBondContact O-OG1 2.7Å; D1621-T1623 HydrophobicContact CB-CG2 4.18Å; D1621-T1623 WeakPolarHBondContact O-CA 3.5Å; D1621-T1623 WeakPolarHBondContact O-CB 3.39Å; D1621-T1623 PolarHBondContact O-N 3.1Å; D1621-T1623 PolarHBondContact O-OG1 3.11Å; T1623-Y1734 WeakPolarHBondContact CA-OH 3.47Å; T1623-Y1734 WeakPolarHBondContact CB-OH 3.41Å; T1623-Y1734 HydrophobicContact CG2-CE2 4.46Å | ||
| 1624 | Y | 74.2 | Confident | 66.8 | Low | 28.4 Ų | 28.4 | 49.8 Ų | 49.8 | 11% | 0.111 | 28% | 0.284 | C | S | . | . | trans | -91.8 | 132.1 | 171.4 | 154.6 | -93.2 | 0 | 0 | 0 | 109.3 | N1622 V1626 A1680 P1681 P1682 S1683 T1729 L1730 P1731 Y1734 | N1622-Y1624 WeakPolarHBondContact O-CD1 3.45Å; N1622-Y1624 PolarHBondContact O-N 3.15Å; Y1624-V1626 HydrophobicContact CD1-CG2 3.83Å; Y1624-V1626 HydrophobicContact CE1-CG2 4.32Å; Y1624-V1626 HydrophobicContact CE2-CG2 4.43Å; Y1624-V1626 PolarHBondContact O-N 3.26Å; Y1624-A1680 HydrophobicContact CD2-CB 4.28Å; Y1624-A1680 HydrophobicContact CE1-CB 3.9Å; Y1624-A1680 HydrophobicContact CE2-CB 4.09Å; Y1624-P1681 HydrophobicContact CD2-CG 3.75Å; Y1624-P1681 VanDerWaalsContact CD2-CG 3.46Å; Y1624-P1681 HydrophobicContact CE2-CG 4.17Å; Y1624-P1681 HydrophobicContact CG-CG 3.94Å; Y1624-P1681 PolarHBondContact OH-O 2.91Å; Y1624-P1682 PolarHBondContact OH-O 3.11Å; Y1624-S1683 WeakPolarHBondContact OH-CA 3.33Å; Y1624-S1683 WeakPolarHBondContact OH-CB 2.93Å; Y1624-S1683 PolarHBondContact OH-N 2.79Å; Y1624-T1729 PolarHBondContact OH-O 3.25Å; Y1624-L1730 HydrophobicContact CD1-CD2 3.97Å; Y1624-L1730 HydrophobicContact CE1-CD2 3.6Å; Y1624-L1730 VanDerWaalsContact CE1-CD2 3.48Å; Y1624-L1730 HydrophobicContact CE2-CD2 3.97Å; Y1624-L1730 WeakPolarHBondContact OH-CA 3.33Å; Y1624-P1731 HydrophobicContact CD1-CG 4.35Å; Y1624-P1731 HydrophobicContact CD2-CG 4.35Å; Y1624-P1731 HydrophobicContact CE1-CG 4.17Å; Y1624-P1731 HydrophobicContact CG-CG 3.97Å; Y1624-P1731 VanDerWaalsContact CZ-CD 3.45Å; Y1624-P1731 VanDerWaalsContact OH-CD 3.25Å; Y1624-P1731 WeakPolarHBondContact OH-CD 3.11Å; Y1624-Y1734 PolarHBondContact N-OH 3.21Å; Y1624-Y1734 VanDerWaalsContact N-OH 3.07Å; Y1624-Y1734 VanDerWaalsContact O-CE1 3.28Å; Y1624-Y1734 WeakPolarHBondContact O-CE1 3.38Å; Y1624-Y1734 VanDerWaalsContact O-CZ 3.27Å; Y1624-Y1734 PolarHBondContact O-OH 3.07Å; Y1624-Y1734 VanDerWaalsContact O-OH 3.06Å | ||
| 1625 | P | 81 | Confident | 69.4 | Low | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -68.2 | 129.6 | -179.2 | 26.7 | -33.1 | 0 | 0 | 0 | 111 | Y1402 V1405 A1406 Y1409 F1627 A1680 P1681 | Y1402-P1625 HydrophobicContact CE2-CG 4.47Å; V1405-P1625 HydrophobicContact CB-CG 4.43Å; V1405-P1625 HydrophobicContact CG1-CB 3.98Å; V1405-P1625 HydrophobicContact CG1-CG 3.73Å; A1406-P1625 HydrophobicContact CB-CG 4.22Å; Y1409-P1625 VanDerWaalsContact CB-CB 3.45Å; Y1409-P1625 HydrophobicContact CD1-CB 4.07Å; Y1409-P1625 HydrophobicContact CD2-CB 3.71Å; Y1409-P1625 HydrophobicContact CE2-CB 4.39Å; Y1409-P1625 HydrophobicContact CG-CB 3.51Å; Y1409-P1625 VanDerWaalsContact CG-CB 3.47Å; Y1409-P1625 HydrophobicContact CG-CG 4.12Å; P1625-F1627 HydrophobicContact CB-CD2 4.16Å; P1625-F1627 HydrophobicContact CB-CE1 4.4Å; P1625-F1627 HydrophobicContact CB-CE2 4.02Å; P1625-F1627 HydrophobicContact CB-CZ 3.89Å; P1625-F1627 HydrophobicContact CG-CD2 4.29Å; P1625-F1627 HydrophobicContact CG-CE2 3.65Å; P1625-F1627 VanDerWaalsContact CG-CE2 3.43Å; P1625-F1627 HydrophobicContact CG-CZ 4.1Å; P1625-A1680 WeakPolarHBondContact O-CB 3.45Å; P1625-P1681 HydrophobicContact CG-CG 3.59Å; P1625-P1681 WeakPolarHBondContact O-CD 3.41Å | ||
| 1626 | V | 84.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -122.6 | 119.1 | 170.5 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | Y1409 C1521 Y1624 V1678 A1680 L1730 Y1734 | Y1409-V1626 VanDerWaalsContact CE2-N 3.33Å; C1521-V1626 HydrophobicContact CB-CB 3.99Å; C1521-V1626 HydrophobicContact CB-CG1 4.24Å; C1521-V1626 VanDerWaalsContact CB-O 3.32Å; C1521-V1626 WeakPolarHBondContact CB-O 3.43Å; C1521-V1626 PolarHBondContact N-O 3.22Å; C1521-V1626 VanDerWaalsContact N-O 3.08Å; Y1624-V1626 HydrophobicContact CD1-CG2 3.83Å; Y1624-V1626 HydrophobicContact CE1-CG2 4.32Å; Y1624-V1626 HydrophobicContact CE2-CG2 4.43Å; Y1624-V1626 PolarHBondContact O-N 3.26Å; V1626-V1678 HydrophobicContact CG1-CG1 3.7Å; V1626-A1680 HydrophobicContact CG2-CB 4.45Å; V1626-L1730 HydrophobicContact CG2-CD2 3.98Å; V1626-Y1734 HydrophobicContact CB-CD1 3.78Å; V1626-Y1734 HydrophobicContact CB-CE1 4.12Å; V1626-Y1734 HydrophobicContact CB-CG 4.36Å; V1626-Y1734 HydrophobicContact CG1-CD1 4.48Å; V1626-Y1734 HydrophobicContact CG2-CD1 3.46Å; V1626-Y1734 VanDerWaalsContact CG2-CD1 3.45Å; V1626-Y1734 HydrophobicContact CG2-CD2 4.19Å; V1626-Y1734 HydrophobicContact CG2-CE1 3.91Å; V1626-Y1734 HydrophobicContact CG2-CG 3.88Å | ||
| 1627 | F | 88.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 155 | 171.5 | -55 | -90.4 | 0 | 0 | 0 | 109.9 | V1405 Y1409 L1412 L1423 I1427 F1519 V1520 P1625 L1679 | V1405-F1627 HydrophobicContact CG1-CE2 3.97Å; Y1409-F1627 HydrophobicContact CD2-CE1 4.35Å; Y1409-F1627 HydrophobicContact CD2-CE2 4.38Å; Y1409-F1627 AromaticContact CD2-CZ 3.98Å; Y1409-F1627 HydrophobicContact CD2-CZ 4.09Å; Y1409-F1627 HydrophobicContact CG-CZ 4.48Å; L1412-F1627 HydrophobicContact CD1-CE1 4Å; L1423-F1627 HydrophobicContact CD1-CE1 4.2Å; L1423-F1627 HydrophobicContact CD1-CZ 4.5Å; I1427-F1627 HydrophobicContact CD1-CB 4.49Å; I1427-F1627 HydrophobicContact CD1-CD1 4.09Å; I1427-F1627 HydrophobicContact CD1-CE1 4.32Å; I1427-F1627 HydrophobicContact CD1-CG 4.17Å; I1427-F1627 HydrophobicContact CG1-CD1 4.33Å; I1427-F1627 HydrophobicContact CG1-CD2 4.23Å; I1427-F1627 HydrophobicContact CG1-CE1 4.46Å; I1427-F1627 HydrophobicContact CG1-CE2 4.33Å; I1427-F1627 HydrophobicContact CG1-CG 4.27Å; I1427-F1627 HydrophobicContact CG1-CZ 4.42Å; F1519-F1627 CarbonylContact O-C 3.55Å; F1519-F1627 VanDerWaalsContact O-CA 3.26Å; F1519-F1627 WeakPolarHBondContact O-CA 3.34Å; V1520-F1627 HydrophobicContact CG2-CD1 3.81Å; V1520-F1627 HydrophobicContact CG2-CE1 3.79Å; P1625-F1627 HydrophobicContact CB-CD2 4.16Å; P1625-F1627 HydrophobicContact CB-CE1 4.4Å; P1625-F1627 HydrophobicContact CB-CE2 4.02Å; P1625-F1627 HydrophobicContact CB-CZ 3.89Å; P1625-F1627 HydrophobicContact CG-CD2 4.29Å; P1625-F1627 HydrophobicContact CG-CE2 3.65Å; P1625-F1627 VanDerWaalsContact CG-CE2 3.43Å; P1625-F1627 HydrophobicContact CG-CZ 4.1Å; F1627-L1679 HydrophobicContact CB-CB 4.07Å; F1627-L1679 HydrophobicContact CB-CD1 4.49Å; F1627-L1679 PolarHBondContact N-O 3.01Å; F1627-L1679 PolarHBondContact O-N 3.3Å |
| 1628 | L | 89.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129 | 176.5 | 172.4 | 70.7 | 0 | 0 | 0 | 108.6 | F1509 F1519 I1630 F1676 N1677 V1678 L1741 | F1509-L1628 HydrophobicContact CB-CD2 4.43Å; F1509-L1628 HydrophobicContact CD1-CB 3.59Å; F1509-L1628 HydrophobicContact CD1-CD2 3.79Å; F1509-L1628 HydrophobicContact CD1-CG 4.34Å; F1509-L1628 HydrophobicContact CD2-CD2 4.12Å; F1509-L1628 HydrophobicContact CE1-CB 3.57Å; F1509-L1628 VanDerWaalsContact CE1-CB 3.49Å; F1509-L1628 HydrophobicContact CE1-CD2 4.02Å; F1509-L1628 HydrophobicContact CE1-CG 4.38Å; F1509-L1628 HydrophobicContact CE2-CD2 4.35Å; F1509-L1628 HydrophobicContact CG-CB 4.44Å; F1509-L1628 HydrophobicContact CG-CD2 3.85Å; F1509-L1628 HydrophobicContact CZ-CB 4.34Å; F1509-L1628 HydrophobicContact CZ-CD2 4.31Å; F1519-L1628 HydrophobicContact CB-CB 4.27Å; F1519-L1628 WeakPolarHBondContact CD2-O 3.41Å; F1519-L1628 PolarHBondContact N-O 3.17Å; F1519-L1628 PolarHBondContact O-N 3.06Å; L1628-I1630 HydrophobicContact CD1-CG1 4.47Å; L1628-I1630 HydrophobicContact CD2-CD1 4.37Å; L1628-I1630 HydrophobicContact CD2-CG1 4.2Å; L1628-I1630 HydrophobicContact CG-CG1 4.21Å; L1628-F1676 HydrophobicContact CD1-CB 3.91Å; L1628-F1676 HydrophobicContact CD1-CD1 4.21Å; L1628-F1676 HydrophobicContact CD2-CD1 4.46Å; L1628-N1677 CarbonylContact C-O 3.49Å; L1628-N1677 WeakPolarHBondContact CA-O 3.36Å; L1628-V1678 HydrophobicContact CD1-CG2 4.45Å; L1628-L1741 HydrophobicContact CD2-CD1 4.03Å; L1628-L1741 HydrophobicContact CD2-CD2 3.74Å |
| 1629 | Q | 89.1 | Confident | 76.5 | Confident | 35.6 Ų | 35.6 | 44 Ų | 44 | 17% | 0.166 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.9 | 165.1 | -179.7 | 176.3 | 50.7 | 0 | 0 | 108.4 | Y1518 T1631 N1677 L1679 | Y1518-Q1629 HydrophobicContact CD1-CB 4.08Å; Y1518-Q1629 HydrophobicContact CE1-CB 4.24Å; Y1518-Q1629 HydrophobicContact CE1-CG 4.46Å; Q1629-T1631 HydrophobicContact CG-CG2 4.1Å; Q1629-N1677 HydrophobicContact CB-CB 4.25Å; Q1629-N1677 PolarHBondContact N-O 3.04Å; Q1629-N1677 WeakPolarHBondContact O-CB 3.31Å; Q1629-N1677 PolarHBondContact O-N 2.89Å; Q1629-L1679 HydrophobicContact CB-CD1 4.11Å |
| 1630 | I | 90.1 | Very high | 78.4 | Confident | 0.4 Ų | 0.4 | 44.5 Ų | 44.5 | 0% | 0.002 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.1 | 177 | -56.5 | 174.6 | 0 | 0 | 0 | 107.6 | F1501 V1505 F1519 L1628 S1644 T1645 L1674 E1675 F1676 | F1501-I1630 HydrophobicContact CE1-CD1 4.28Å; F1501-I1630 HydrophobicContact CZ-CD1 4.24Å; V1505-I1630 HydrophobicContact CG1-CD1 4.24Å; V1505-I1630 HydrophobicContact CG2-CD1 3.94Å; F1519-I1630 HydrophobicContact CE2-CD1 4.02Å; F1519-I1630 HydrophobicContact CE2-CG1 4.26Å; F1519-I1630 HydrophobicContact CZ-CD1 4.26Å; L1628-I1630 HydrophobicContact CD1-CG1 4.47Å; L1628-I1630 HydrophobicContact CD2-CD1 4.37Å; L1628-I1630 HydrophobicContact CD2-CG1 4.2Å; L1628-I1630 HydrophobicContact CG-CG1 4.21Å; I1630-S1644 CarbonylContact O-C 3.54Å; I1630-S1644 VanDerWaalsContact O-CA 3.31Å; I1630-S1644 WeakPolarHBondContact O-CA 3.31Å; I1630-S1644 PolarHBondContact O-OG 2.82Å; I1630-S1644 VanDerWaalsContact O-OG 3.07Å; I1630-T1645 WeakPolarHBondContact CB-O 3.32Å; I1630-T1645 HydrophobicContact CG2-CG2 4Å; I1630-T1645 PolarHBondContact O-N 3.17Å; I1630-L1674 HydrophobicContact CG2-CD1 3.66Å; I1630-L1674 HydrophobicContact CG2-CG 4.2Å; I1630-E1675 CarbonylContact C-O 3.49Å; I1630-E1675 WeakPolarHBondContact CA-O 3.44Å; I1630-F1676 HydrophobicContact CD1-CD1 4.37Å; I1630-F1676 HydrophobicContact CD1-CE1 4.13Å; I1630-F1676 HydrophobicContact CG1-CD1 4.05Å; I1630-F1676 HydrophobicContact CG1-CE1 4.26Å; I1630-F1676 HydrophobicContact CG2-CE1 4.48Å |
| 1631 | T | 88.3 | Confident | 80 | Confident | 12.6 Ų | 12.6 | 43.6 Ų | 43.6 | 8% | 0.077 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.8 | -179.7 | -15.9 | 0 | 0 | 0 | 0 | 109.4 | Q1629 N1642 F1643 E1675 N1677 | Q1629-T1631 HydrophobicContact CG-CG2 4.1Å; T1631-N1642 HydrophobicContact CG2-CB 4Å; T1631-F1643 CarbonylContact C-O 3.57Å; T1631-F1643 WeakPolarHBondContact CA-O 3.39Å; T1631-E1675 WeakPolarHBondContact CG2-OE2 3.47Å; T1631-E1675 PolarHBondContact N-O 2.87Å; T1631-E1675 PolarHBondContact O-N 3Å; T1631-E1675 VanDerWaalsContact OG1-CB 3.31Å; T1631-E1675 WeakPolarHBondContact OG1-CB 3.4Å; T1631-E1675 PolarHBondContact OG1-OE2 3.07Å; T1631-N1677 WeakPolarHBondContact CG2-ND2 3.45Å; T1631-N1677 PolarHBondContact OG1-ND2 3.01Å |
| 1632 | C | 90.5 | Very high | 81.5 | Confident | 0.6 Ų | 0.6 | 42.2 Ų | 42.2 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.9 | 169.8 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | N1642 F1643 T1645 P1649 V1672 I1673 L1674 | C1632-N1642 WeakPolarHBondContact O-CA 3.24Å; C1632-F1643 HydrophobicContact CB-CD2 3.94Å; C1632-F1643 HydrophobicContact CB-CE1 4.42Å; C1632-F1643 HydrophobicContact CB-CE2 3.24Å; C1632-F1643 HydrophobicContact CB-CZ 3.58Å; C1632-F1643 PolarHBondContact N-O 3.09Å; C1632-F1643 WeakPolarHBondContact O-CD1 3.39Å; C1632-F1643 WeakPolarHBondContact O-CD2 3.02Å; C1632-F1643 WeakPolarHBondContact O-CE1 3.37Å; C1632-F1643 WeakPolarHBondContact O-CG 3.36Å; C1632-F1643 WeakPolarHBondContact O-CZ 3.29Å; C1632-F1643 PolarHBondContact O-N 3.16Å; C1632-F1643 VanDerWaalsContact SG-CE2 3.54Å; C1632-F1643 WeakPolarHBondContact SG-CE2 3.46Å; C1632-F1643 WeakPolarHBondContact SG-CZ 3.32Å; C1632-T1645 HydrophobicContact CB-CG2 4Å; C1632-P1649 HydrophobicContact CB-CG 3.95Å; C1632-V1672 VanDerWaalsContact SG-CG1 3.53Å; C1632-I1673 CarbonylContact C-O 3.52Å; C1632-I1673 WeakPolarHBondContact CA-O 3.37Å; C1632-I1673 PolarHBondContact SG-O 2.89Å; C1632-I1673 VanDerWaalsContact SG-O 3.41Å; C1632-L1674 HydrophobicContact CB-CD1 4.28Å |
| 1633 | S | 88.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.2 | -175.2 | -64.9 | 0 | 0 | 0 | 0 | 109.3 | Q1640 Y1641 N1642 V1672 I1673 E1675 | S1633-Q1640 PolarHBondContact OG-NE2 2.85Å; S1633-Y1641 CarbonylContact C-O 3.39Å; S1633-Y1641 WeakPolarHBondContact CA-O 3.37Å; S1633-N1642 VanDerWaalsContact CB-OD1 3.31Å; S1633-N1642 WeakPolarHBondContact CB-OD1 3.35Å; S1633-N1642 VanDerWaalsContact OG-CG 3.29Å; S1633-N1642 PolarHBondContact OG-ND2 3.47Å; S1633-N1642 PolarHBondContact OG-OD1 2.94Å; S1633-V1672 WeakPolarHBondContact O-CA 3.29Å; S1633-I1673 PolarHBondContact N-O 3.04Å; S1633-I1673 PolarHBondContact O-N 2.92Å; S1633-E1675 VanDerWaalsContact CB-OE1 3.25Å; S1633-E1675 WeakPolarHBondContact CB-OE1 3.31Å; S1633-E1675 PolarHBondContact OG-OE1 3.13Å; S1633-E1675 PolarHBondContact OG-OE2 3.22Å; S1633-E1675 VanDerWaalsContact OG-OE2 3.07Å |
| 1634 | V | 87.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.7 | 179 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | I1636 Y1641 F1643 L1655 F1656 V1670 R1671 V1672 | V1634-I1636 HydrophobicContact CG1-CD1 4Å; V1634-I1636 HydrophobicContact CG1-CG1 3.81Å; V1634-Y1641 PolarHBondContact N-O 3.13Å; V1634-Y1641 WeakPolarHBondContact O-CD2 3Å; V1634-Y1641 PolarHBondContact O-N 3.28Å; V1634-F1643 HydrophobicContact CB-CE1 4.3Å; V1634-F1643 HydrophobicContact CB-CE2 4.08Å; V1634-F1643 HydrophobicContact CB-CZ 4.36Å; V1634-F1643 HydrophobicContact CG2-CE1 3.49Å; V1634-F1643 VanDerWaalsContact CG2-CE1 3.41Å; V1634-F1643 HydrophobicContact CG2-CE2 3.95Å; V1634-F1643 HydrophobicContact CG2-CZ 3.82Å; V1634-L1655 HydrophobicContact CG2-CB 4.26Å; V1634-L1655 HydrophobicContact CG2-CD1 3.91Å; V1634-L1655 HydrophobicContact CG2-CD2 4.06Å; V1634-L1655 HydrophobicContact CG2-CG 4.44Å; V1634-F1656 HydrophobicContact CG1-CE1 4.35Å; V1634-V1670 HydrophobicContact CG1-CG1 4.43Å; V1634-R1671 CarbonylContact C-O 3.52Å; V1634-R1671 WeakPolarHBondContact CA-O 3.3Å; V1634-V1672 HydrophobicContact CG1-CG2 4.5Å; V1634-V1672 HydrophobicContact CG2-CG1 4.14Å; V1634-V1672 HydrophobicContact CG2-CG2 4.3Å |
| 1635 | F | 84.8 | Confident | 84.1 | Confident | 49.6 Ų | 49.6 | 35.9 Ų | 35.9 | 22% | 0.218 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.9 | 176.1 | -58.2 | -98 | 0 | 0 | 0 | 108.9 | R1639 Q1640 V1670 R1671 I1673 | F1635-R1639 CarbonylContact C-O 3.49Å; F1635-R1639 VanDerWaalsContact CA-O 3.28Å; F1635-R1639 WeakPolarHBondContact CA-O 3.33Å; F1635-Q1640 HydrophobicContact CD1-CB 3.82Å; F1635-Q1640 HydrophobicContact CD1-CG 4.11Å; F1635-Q1640 HydrophobicContact CE1-CB 3.68Å; F1635-Q1640 VanDerWaalsContact CE1-CD 3.46Å; F1635-Q1640 HydrophobicContact CE1-CG 3.6Å; F1635-Q1640 HydrophobicContact CE2-CG 4.49Å; F1635-Q1640 HydrophobicContact CZ-CB 4.43Å; F1635-Q1640 VanDerWaalsContact CZ-CD 3.49Å; F1635-Q1640 HydrophobicContact CZ-CG 3.85Å; F1635-V1670 CarbonylContact O-C 3.58Å; F1635-V1670 VanDerWaalsContact O-CA 3.27Å; F1635-V1670 WeakPolarHBondContact O-CA 3.37Å; F1635-R1671 HydrophobicContact CB-CB 4.13Å; F1635-R1671 HydrophobicContact CD2-CB 4.34Å; F1635-R1671 PolarHBondContact N-O 3.07Å; F1635-R1671 PolarHBondContact O-N 2.92Å; F1635-I1673 HydrophobicContact CD2-CD1 4.1Å; F1635-I1673 HydrophobicContact CD2-CG1 4.2Å; F1635-I1673 HydrophobicContact CE2-CB 4.29Å; F1635-I1673 HydrophobicContact CE2-CD1 3.44Å; F1635-I1673 VanDerWaalsContact CE2-CD1 3.45Å; F1635-I1673 HydrophobicContact CE2-CG1 3.79Å; F1635-I1673 HydrophobicContact CZ-CD1 4.12Å |
| 1636 | I | 81.1 | Confident | 83.9 | Confident | 8.8 Ų | 8.8 | 39 Ų | 39 | 5% | 0.045 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 115.7 | 179.3 | -51.6 | 174.8 | 0 | 0 | 0 | 107.8 | V1634 G1638 R1639 Y1641 F1656 V1661 W1664 V1670 | V1634-I1636 HydrophobicContact CG1-CD1 4Å; V1634-I1636 HydrophobicContact CG1-CG1 3.81Å; I1636-G1638 VanDerWaalsContact C-N 3.26Å; I1636-G1638 PolarHBondContact O-N 3.2Å; I1636-G1638 VanDerWaalsContact O-N 3.11Å; I1636-R1639 PolarHBondContact N-O 3.21Å; I1636-R1639 WeakPolarHBondContact O-CB 3.35Å; I1636-R1639 PolarHBondContact O-N 3.13Å; I1636-Y1641 HydrophobicContact CB-CE2 4.4Å; I1636-Y1641 HydrophobicContact CD1-CD2 4.29Å; I1636-Y1641 HydrophobicContact CD1-CE2 4.18Å; I1636-Y1641 HydrophobicContact CG1-CD2 4.44Å; I1636-Y1641 HydrophobicContact CG1-CE2 4.38Å; I1636-F1656 HydrophobicContact CD1-CD1 3.84Å; I1636-F1656 HydrophobicContact CD1-CE1 3.51Å; I1636-F1656 VanDerWaalsContact CD1-CE1 3.45Å; I1636-F1656 HydrophobicContact CD1-CZ 4.25Å; I1636-F1656 HydrophobicContact CG1-CE1 4.16Å; I1636-V1661 HydrophobicContact CD1-CB 4.33Å; I1636-V1661 HydrophobicContact CD1-CG1 4.22Å; I1636-V1661 HydrophobicContact CD1-CG2 4.25Å; I1636-W1664 HydrophobicContact CG2-CB 4.07Å; I1636-V1670 HydrophobicContact CG1-CG2 4.49Å; I1636-V1670 HydrophobicContact CG2-CG2 4.45Å |
| 1637 | A | 74.3 | Confident | 83.8 | Confident | 70.6 Ų | 70.6 | 42.8 Ų | 42.8 | 58% | 0.583 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | S1669 | A1637-S1669 PolarHBondContact N-O 2.81Š|
| 1638 | G | 73.5 | Confident | 83.8 | Confident | 72.8 Ų | 72.8 | 42.8 Ų | 42.8 | 75% | 0.751 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | 0.2 | 180 | 0 | 0 | 0 | 0 | 0 | 116.1 | I1636 | I1636-G1638 VanDerWaalsContact C-N 3.26Å; I1636-G1638 PolarHBondContact O-N 3.2Å; I1636-G1638 VanDerWaalsContact O-N 3.11Å |
| 1639 | R | 76.7 | Confident | 83.7 | Confident | 172.6 Ų | 172.6 | 43.4 Ų | 43.4 | 65% | 0.651 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 137.6 | 170.9 | -63.3 | -177.1 | -179.8 | -177 | -0.3 | 110.6 | F1635 I1636 Y1641 | F1635-R1639 CarbonylContact C-O 3.49Å; F1635-R1639 VanDerWaalsContact CA-O 3.28Å; F1635-R1639 WeakPolarHBondContact CA-O 3.33Å; I1636-R1639 PolarHBondContact N-O 3.21Å; I1636-R1639 WeakPolarHBondContact O-CB 3.35Å; I1636-R1639 PolarHBondContact O-N 3.13Å; R1639-Y1641 HydrophobicContact CB-CE2 3.78Å; R1639-Y1641 WeakPolarHBondContact CD-OH 3.4Å |
| 1640 | Q | 83.9 | Confident | 83.5 | Confident | 94.6 Ų | 94.6 | 41.8 Ų | 41.8 | 44% | 0.442 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 137.2 | 177.1 | 176.2 | 174.5 | -1.1 | 0 | 0 | 110.3 | S1633 F1635 N1642 | S1633-Q1640 PolarHBondContact OG-NE2 2.85Å; F1635-Q1640 HydrophobicContact CD1-CB 3.82Å; F1635-Q1640 HydrophobicContact CD1-CG 4.11Å; F1635-Q1640 HydrophobicContact CE1-CB 3.68Å; F1635-Q1640 VanDerWaalsContact CE1-CD 3.46Å; F1635-Q1640 HydrophobicContact CE1-CG 3.6Å; F1635-Q1640 HydrophobicContact CE2-CG 4.49Å; F1635-Q1640 HydrophobicContact CZ-CB 4.43Å; F1635-Q1640 VanDerWaalsContact CZ-CD 3.49Å; F1635-Q1640 HydrophobicContact CZ-CG 3.85Å; Q1640-N1642 WeakPolarHBondContact CG-OD1 3.34Å; Q1640-N1642 PolarHBondContact NE2-ND2 3.11Å; Q1640-N1642 VanDerWaalsContact NE2-ND2 3.12Å; Q1640-N1642 PolarHBondContact NE2-OD1 3.15Å |
| 1641 | Y | 83 | Confident | 83.3 | Confident | 62.4 Ų | 62.4 | 41.9 Ų | 41.9 | 25% | 0.245 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 116.9 | 177.1 | -58.1 | -83.3 | 0 | 0 | 0 | 109.7 | S1633 V1634 I1636 R1639 F1643 V1659 V1661 | S1633-Y1641 CarbonylContact C-O 3.39Å; S1633-Y1641 WeakPolarHBondContact CA-O 3.37Å; V1634-Y1641 PolarHBondContact N-O 3.13Å; V1634-Y1641 WeakPolarHBondContact O-CD2 3Å; V1634-Y1641 PolarHBondContact O-N 3.28Å; I1636-Y1641 HydrophobicContact CB-CE2 4.4Å; I1636-Y1641 HydrophobicContact CD1-CD2 4.29Å; I1636-Y1641 HydrophobicContact CD1-CE2 4.18Å; I1636-Y1641 HydrophobicContact CG1-CD2 4.44Å; I1636-Y1641 HydrophobicContact CG1-CE2 4.38Å; R1639-Y1641 HydrophobicContact CB-CE2 3.78Å; R1639-Y1641 WeakPolarHBondContact CD-OH 3.4Å; Y1641-F1643 VanDerWaalsContact CB-CZ 3.48Å; Y1641-F1643 WeakPolarHBondContact O-CE2 3.32Å; Y1641-V1659 HydrophobicContact CD1-CG1 3.25Å; Y1641-V1659 HydrophobicContact CD2-CG1 3.62Å; Y1641-V1659 VanDerWaalsContact CD2-CG1 3.48Å; Y1641-V1659 HydrophobicContact CD2-CG2 4.48Å; Y1641-V1659 HydrophobicContact CE1-CG1 3.46Å; Y1641-V1659 VanDerWaalsContact CE1-CG1 3.47Å; Y1641-V1659 HydrophobicContact CE2-CG1 3.83Å; Y1641-V1659 HydrophobicContact CG-CB 4.45Å; Y1641-V1659 HydrophobicContact CG-CG1 3.3Å; Y1641-V1659 HydrophobicContact CG-CG2 4.19Å; Y1641-V1659 VanDerWaalsContact CZ-CG1 3.44Å; Y1641-V1661 HydrophobicContact CE2-CG2 4.16Å |
| 1642 | N | 84.4 | Confident | 83.1 | Confident | 86.2 Ų | 86.2 | 41.4 Ų | 41.4 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.7 | -173.6 | -58.5 | -8.4 | 0 | 0 | 0 | 110.3 | T1631 C1632 S1633 Q1640 | T1631-N1642 HydrophobicContact CG2-CB 4Å; C1632-N1642 WeakPolarHBondContact O-CA 3.24Å; S1633-N1642 VanDerWaalsContact CB-OD1 3.31Å; S1633-N1642 WeakPolarHBondContact CB-OD1 3.35Å; S1633-N1642 VanDerWaalsContact OG-CG 3.29Å; S1633-N1642 PolarHBondContact OG-ND2 3.47Å; S1633-N1642 PolarHBondContact OG-OD1 2.94Å; Q1640-N1642 WeakPolarHBondContact CG-OD1 3.34Å; Q1640-N1642 PolarHBondContact NE2-ND2 3.11Å; Q1640-N1642 VanDerWaalsContact NE2-ND2 3.12Å; Q1640-N1642 PolarHBondContact NE2-OD1 3.15Å |
| 1643 | F | 81.9 | Confident | 82.7 | Confident | 34.8 Ų | 34.8 | 41.3 Ų | 41.3 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 133.9 | 176.3 | 14.5 | -86.1 | 0 | 0 | 0 | 110.5 | T1631 C1632 V1634 Y1641 T1645 P1649 L1655 K1658 V1659 | T1631-F1643 CarbonylContact C-O 3.57Å; T1631-F1643 WeakPolarHBondContact CA-O 3.39Å; C1632-F1643 HydrophobicContact CB-CD2 3.94Å; C1632-F1643 HydrophobicContact CB-CE1 4.42Å; C1632-F1643 HydrophobicContact CB-CE2 3.24Å; C1632-F1643 HydrophobicContact CB-CZ 3.58Å; C1632-F1643 PolarHBondContact N-O 3.09Å; C1632-F1643 WeakPolarHBondContact O-CD1 3.39Å; C1632-F1643 WeakPolarHBondContact O-CD2 3.02Å; C1632-F1643 WeakPolarHBondContact O-CE1 3.37Å; C1632-F1643 WeakPolarHBondContact O-CG 3.36Å; C1632-F1643 WeakPolarHBondContact O-CZ 3.29Å; C1632-F1643 PolarHBondContact O-N 3.16Å; C1632-F1643 VanDerWaalsContact SG-CE2 3.54Å; C1632-F1643 WeakPolarHBondContact SG-CE2 3.46Å; C1632-F1643 WeakPolarHBondContact SG-CZ 3.32Å; V1634-F1643 HydrophobicContact CB-CE1 4.3Å; V1634-F1643 HydrophobicContact CB-CE2 4.08Å; V1634-F1643 HydrophobicContact CB-CZ 4.36Å; V1634-F1643 HydrophobicContact CG2-CE1 3.49Å; V1634-F1643 VanDerWaalsContact CG2-CE1 3.41Å; V1634-F1643 HydrophobicContact CG2-CE2 3.95Å; V1634-F1643 HydrophobicContact CG2-CZ 3.82Å; Y1641-F1643 VanDerWaalsContact CB-CZ 3.48Å; Y1641-F1643 WeakPolarHBondContact O-CE2 3.32Å; F1643-T1645 PolarHBondContact O-N 3.16Å; F1643-P1649 HydrophobicContact CE2-CG 4.46Å; F1643-L1655 HydrophobicContact CD2-CD2 4.44Å; F1643-L1655 HydrophobicContact CE1-CD2 4.18Å; F1643-L1655 HydrophobicContact CE2-CD2 3.61Å; F1643-L1655 VanDerWaalsContact CE2-CD2 3.42Å; F1643-L1655 HydrophobicContact CZ-CB 4.48Å; F1643-L1655 HydrophobicContact CZ-CD1 4.22Å; F1643-L1655 HydrophobicContact CZ-CD2 3.19Å; F1643-L1655 HydrophobicContact CZ-CG 4.14Å; F1643-K1658 HydrophobicContact CD1-CB 4.22Å; F1643-K1658 HydrophobicContact CD1-CD 4.43Å; F1643-K1658 HydrophobicContact CE1-CB 3.99Å; F1643-K1658 HydrophobicContact CG-CD 4.43Å; F1643-K1658 HydrophobicContact CZ-CB 4.31Å; F1643-V1659 HydrophobicContact CE1-CG2 3.94Å; F1643-V1659 HydrophobicContact CE2-CG2 3.63Å; F1643-V1659 HydrophobicContact CZ-CB 4.02Å; F1643-V1659 HydrophobicContact CZ-CG1 4.25Å; F1643-V1659 HydrophobicContact CZ-CG2 3.46Å; F1643-V1659 VanDerWaalsContact CZ-CG2 3.46Å |
| 1644 | S | 82.1 | Confident | 82.4 | Confident | 38 Ų | 38 | 43.8 Ų | 43.8 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 140.1 | 167.1 | 170 | 0 | 0 | 0 | 0 | 109.8 | D1517 I1630 | D1517-S1644 WeakPolarHBondContact CB-OG 3.32Å; D1517-S1644 VanDerWaalsContact CG-OG 3.31Å; D1517-S1644 WeakPolarHBondContact OD1-CB 3.32Å; D1517-S1644 PolarHBondContact OD1-OG 3.23Å; I1630-S1644 CarbonylContact O-C 3.54Å; I1630-S1644 VanDerWaalsContact O-CA 3.31Å; I1630-S1644 WeakPolarHBondContact O-CA 3.31Å; I1630-S1644 PolarHBondContact O-OG 2.82Å; I1630-S1644 VanDerWaalsContact O-OG 3.07Å |
| 1645 | T | 82.4 | Confident | 82.2 | Confident | 13.4 Ų | 13.4 | 44.1 Ų | 44.1 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | trans | -144.6 | 137.3 | -179.9 | -163 | 0 | 0 | 0 | 0 | 112.5 | I1630 C1632 F1643 E1647 P1649 L1674 | I1630-T1645 WeakPolarHBondContact CB-O 3.32Å; I1630-T1645 HydrophobicContact CG2-CG2 4Å; I1630-T1645 PolarHBondContact O-N 3.17Å; C1632-T1645 HydrophobicContact CB-CG2 4Å; F1643-T1645 PolarHBondContact O-N 3.16Å; T1645-E1647 PolarHBondContact OG1-N 3.46Å; T1645-E1647 PolarHBondContact OG1-O 3.03Å; T1645-E1647 VanDerWaalsContact OG1-O 3.09Å; T1645-P1649 HydrophobicContact CG2-CG 4.27Å; T1645-L1674 HydrophobicContact CG2-CD1 4.04Å | ||
| 1646 | F | 78 | Confident | 82 | Confident | 65.2 Ų | 65.2 | 41.7 Ų | 41.7 | 29% | 0.286 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -93.9 | -24.1 | 176.2 | -74.4 | -74.8 | 0 | 0 | 0 | 113.3 | N1502 P1511 P1516 D1517 F1519 | N1502-F1646 WeakPolarHBondContact OD1-CD1 3.23Å; N1502-F1646 VanDerWaalsContact OD1-CE1 3.3Å; N1502-F1646 WeakPolarHBondContact OD1-CE1 3.45Å; N1502-F1646 PolarHBondContact OD1-O 3.17Å; N1502-F1646 VanDerWaalsContact OD1-O 3.04Å; P1511-F1646 HydrophobicContact CB-CE2 3.7Å; P1511-F1646 HydrophobicContact CB-CZ 4.22Å; P1511-F1646 HydrophobicContact CG-CE2 3.98Å; P1511-F1646 HydrophobicContact CG-CZ 3.98Å; P1516-F1646 VanDerWaalsContact C-CZ 3.49Å; P1516-F1646 HydrophobicContact CB-CD1 4.33Å; P1516-F1646 HydrophobicContact CB-CD2 4.39Å; P1516-F1646 HydrophobicContact CB-CE1 3.75Å; P1516-F1646 HydrophobicContact CB-CE2 3.86Å; P1516-F1646 HydrophobicContact CB-CZ 3.55Å; P1516-F1646 VanDerWaalsContact CB-CZ 3.4Å; P1516-F1646 HydrophobicContact CG-CE1 4.26Å; P1516-F1646 HydrophobicContact CG-CE2 3.92Å; P1516-F1646 HydrophobicContact CG-CZ 3.79Å; P1516-F1646 VanDerWaalsContact O-CD1 3.32Å; P1516-F1646 WeakPolarHBondContact O-CD1 3.4Å; P1516-F1646 VanDerWaalsContact O-CD2 3.3Å; P1516-F1646 WeakPolarHBondContact O-CD2 3.03Å; P1516-F1646 WeakPolarHBondContact O-CE1 3.39Å; P1516-F1646 WeakPolarHBondContact O-CZ 3.44Å; D1517-F1646 VanDerWaalsContact CA-CE1 3.41Å; D1517-F1646 VanDerWaalsContact CA-CZ 3.45Å; D1517-F1646 HydrophobicContact CB-CE1 4.45Å; D1517-F1646 HydrophobicContact CB-CZ 4.31Å; D1517-F1646 VanDerWaalsContact N-CE1 3.34Å; D1517-F1646 WeakPolarHBondContact OD1-CE2 3.29Å; D1517-F1646 WeakPolarHBondContact OD1-CZ 3.32Å; F1519-F1646 HydrophobicContact CD1-CE2 4.06Å; F1519-F1646 AromaticContact CE1-CD2 3.69Å; F1519-F1646 HydrophobicContact CE1-CD2 3.69Å; F1519-F1646 AromaticContact CE1-CE2 3.06Å; F1519-F1646 HydrophobicContact CE1-CE2 3.06Å; F1519-F1646 AromaticContact CE1-CZ 3.7Å; F1519-F1646 HydrophobicContact CE1-CZ 3.7Å; F1519-F1646 AromaticContact CE2-CD1 3.89Å; F1519-F1646 HydrophobicContact CE2-CD1 4.1Å; F1519-F1646 AromaticContact CE2-CD2 3.95Å; F1519-F1646 HydrophobicContact CE2-CD2 3.95Å; F1519-F1646 HydrophobicContact CE2-CE1 4.24Å; F1519-F1646 HydrophobicContact CE2-CE2 4.14Å; F1519-F1646 AromaticContact CZ-CD1 3.76Å; F1519-F1646 HydrophobicContact CZ-CD1 3.85Å; F1519-F1646 AromaticContact CZ-CD2 3.16Å; F1519-F1646 HydrophobicContact CZ-CD2 3.16Å; F1519-F1646 HydrophobicContact CZ-CE1 4.41Å; F1519-F1646 AromaticContact CZ-CE2 3.12Å; F1519-F1646 HydrophobicContact CZ-CE2 3.12Å; F1519-F1646 HydrophobicContact CZ-CG 4.09Å; F1519-F1646 HydrophobicContact CZ-CZ 4.01Å |
| 1647 | E | 82.6 | Confident | 81.9 | Confident | 79.6 Ų | 79.6 | 47.2 Ų | 47.2 | 37% | 0.372 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -117.5 | 150.2 | -176.3 | -56.6 | -169 | 147.3 | 0 | 0 | 109.5 | K1498 T1645 P1649 | K1498-E1647 HydrophobicContact CD-CB 4.37Å; K1498-E1647 WeakPolarHBondContact CD-OE2 3.38Å; K1498-E1647 WeakPolarHBondContact CE-OE2 3.34Å; K1498-E1647 HydrophobicContact CG-CB 4.26Å; K1498-E1647 IonicContact NZ-OE2 3.39Å; K1498-E1647 PolarHBondContact NZ-OE2 3.22Å; T1645-E1647 PolarHBondContact OG1-N 3.46Å; T1645-E1647 PolarHBondContact OG1-O 3.03Å; T1645-E1647 VanDerWaalsContact OG1-O 3.09Å; E1647-P1649 VanDerWaalsContact O-CD 3.26Å; E1647-P1649 WeakPolarHBondContact O-CD 3.36Å |
| 1648 | L | 87 | Confident | 82.1 | Confident | 0.6 Ų | 0.6 | 50.1 Ų | 50.1 | 0% | 0.003 | 25% | 0.246 | C | C | . | . | trans | -60.4 | 122.7 | 173 | -172.7 | 63.7 | 0 | 0 | 0 | 110.4 | I1440 F1443 T1497 F1501 T1650 L1674 V1749 | I1440-L1648 HydrophobicContact CD1-CD1 4.45Å; I1440-L1648 HydrophobicContact CG2-CD1 4.47Å; F1443-L1648 HydrophobicContact CD1-CD2 4.45Å; F1443-L1648 HydrophobicContact CE1-CD1 4.44Å; F1443-L1648 HydrophobicContact CE1-CD2 3.69Å; F1443-L1648 HydrophobicContact CE1-CG 3.83Å; F1443-L1648 HydrophobicContact CE2-CD2 4.09Å; F1443-L1648 HydrophobicContact CZ-CD2 3.38Å; F1443-L1648 VanDerWaalsContact CZ-CD2 3.42Å; F1443-L1648 HydrophobicContact CZ-CG 4.01Å; T1497-L1648 HydrophobicContact CG2-CD2 3.87Å; F1501-L1648 HydrophobicContact CB-CB 3.96Å; F1501-L1648 HydrophobicContact CB-CD2 4.4Å; F1501-L1648 HydrophobicContact CD1-CB 3.95Å; F1501-L1648 HydrophobicContact CD2-CB 4.17Å; F1501-L1648 HydrophobicContact CD2-CD1 4.28Å; F1501-L1648 HydrophobicContact CD2-CD2 4.28Å; F1501-L1648 HydrophobicContact CD2-CG 4.45Å; F1501-L1648 HydrophobicContact CE1-CB 4.43Å; F1501-L1648 HydrophobicContact CE2-CD1 4.29Å; F1501-L1648 HydrophobicContact CG-CB 3.75Å; F1501-L1648 HydrophobicContact CG-CD2 4.47Å; F1501-L1648 HydrophobicContact CG-CG 4.5Å; L1648-T1650 WeakPolarHBondContact O-CG2 3.34Å; L1648-T1650 PolarHBondContact O-N 3.08Å; L1648-T1650 PolarHBondContact O-OG1 2.98Å; L1648-L1674 HydrophobicContact CD1-CD2 3.79Å; L1648-V1749 HydrophobicContact CD1-CG2 4.25Å; L1648-V1749 HydrophobicContact CD2-CG2 4.1Å | ||
| 1649 | P | 87 | Confident | 82.2 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | trans | -66.5 | 118 | 177.4 | -22.3 | 34.6 | 0 | 0 | 0 | 111.3 | I1440 F1443 V1444 C1632 F1643 T1645 E1647 L1655 | I1440-P1649 HydrophobicContact CD1-CB 4.25Å; I1440-P1649 HydrophobicContact CD1-CG 4.19Å; F1443-P1649 WeakPolarHBondContact CE1-O 3.26Å; V1444-P1649 WeakPolarHBondContact CG2-O 3.23Å; C1632-P1649 HydrophobicContact CB-CG 3.95Å; F1643-P1649 HydrophobicContact CE2-CG 4.46Å; T1645-P1649 HydrophobicContact CG2-CG 4.27Å; E1647-P1649 VanDerWaalsContact O-CD 3.26Å; E1647-P1649 WeakPolarHBondContact O-CD 3.36Å; P1649-L1655 HydrophobicContact CB-CD1 4.15Å; P1649-L1655 HydrophobicContact CB-CD2 3.99Å; P1649-L1655 HydrophobicContact CB-CG 4.39Å; P1649-L1655 HydrophobicContact CG-CD2 4.44Å | ||
| 1650 | T | 86.2 | Confident | 81.9 | Confident | 3.4 Ų | 3.4 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -111.5 | -6.9 | -174 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | F1443 L1447 Q1494 K1498 L1648 | F1443-T1650 HydrophobicContact CE1-CG2 4.08Å; F1443-T1650 HydrophobicContact CZ-CG2 4Å; L1447-T1650 HydrophobicContact CD2-CG2 3.95Å; Q1494-T1650 HydrophobicContact CB-CG2 4.11Å; Q1494-T1650 VanDerWaalsContact CD-CB 3.48Å; Q1494-T1650 HydrophobicContact CG-CG2 4.12Å; Q1494-T1650 PolarHBondContact NE2-O 3.08Å; Q1494-T1650 PolarHBondContact OE1-OG1 3.15Å; K1498-T1650 HydrophobicContact CD-CG2 4.44Å; K1498-T1650 VanDerWaalsContact CE-OG1 3.27Å; K1498-T1650 WeakPolarHBondContact CE-OG1 3.38Å; K1498-T1650 HydrophobicContact CG-CG2 3.95Å; L1648-T1650 WeakPolarHBondContact O-CG2 3.34Å; L1648-T1650 PolarHBondContact O-N 3.08Å; L1648-T1650 PolarHBondContact O-OG1 2.98Å | ||
| 1651 | C | 85.7 | Confident | 81.2 | Confident | 1.8 Ų | 1.8 | 39 Ų | 39 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | trans | -137.7 | 123 | -172.4 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | H1450 C1489 N1653 D1654 L1655 | H1450-C1651 PolarHBondContact ND1-SG 3.04Å; H1450-C1651 VanDerWaalsContact ND1-SG 3.38Å; C1489-C1651 HydrophobicContact CB-CB 3.83Å; C1489-C1651 WeakPolarHBondContact CB-SG 3.31Å; C1651-N1653 VanDerWaalsContact C-N 3.34Å; C1651-N1653 PolarHBondContact O-N 3.05Å; C1651-N1653 PolarHBondContact SG-N 3.22Å; C1651-N1653 VanDerWaalsContact SG-N 3.41Å; C1651-D1654 HydrophobicContact CB-CB 4.03Å; C1651-D1654 VanDerWaalsContact CB-OD2 3.26Å; C1651-D1654 WeakPolarHBondContact CB-OD2 3.39Å; C1651-D1654 PolarHBondContact O-N 2.94Å; C1651-D1654 VanDerWaalsContact SG-CG 3.53Å; C1651-D1654 PolarHBondContact SG-OD2 3.24Å; C1651-L1655 WeakPolarHBondContact O-CG 3.32Å; C1651-L1655 PolarHBondContact O-N 3.05Å | ||
| 1652 | L | 84.5 | Confident | 80.2 | Confident | 1.8 Ų | 1.8 | 40.4 Ų | 40.4 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.9 | -35.4 | 179.5 | -165.4 | 66.1 | 0 | 0 | 0 | 112.6 | V1444 C1448 V1451 D1654 L1655 F1656 L1667 V1670 V1672 | V1444-L1652 HydrophobicContact CG1-CB 3.78Å; V1444-L1652 HydrophobicContact CG1-CD1 4.11Å; V1444-L1652 HydrophobicContact CG1-CG 4.48Å; C1448-L1652 PolarHBondContact SG-N 3.24Å; C1448-L1652 VanDerWaalsContact SG-N 3.42Å; V1451-L1652 HydrophobicContact CG2-CB 3.84Å; V1451-L1652 HydrophobicContact CG2-CD2 3.8Å; V1451-L1652 HydrophobicContact CG2-CG 4.47Å; L1652-D1654 VanDerWaalsContact C-N 3.32Å; L1652-D1654 PolarHBondContact O-N 2.94Å; L1652-L1655 HydrophobicContact CD1-CD1 4.46Å; L1652-L1655 WeakPolarHBondContact O-CB 3.31Å; L1652-L1655 PolarHBondContact O-N 3.24Å; L1652-L1655 VanDerWaalsContact O-N 3.16Å; L1652-F1656 HydrophobicContact CD1-CD1 4.33Å; L1652-F1656 HydrophobicContact CD1-CE1 3.94Å; L1652-F1656 HydrophobicContact CD1-CE2 4.26Å; L1652-F1656 HydrophobicContact CD1-CZ 4.11Å; L1652-F1656 HydrophobicContact CD2-CD2 4.47Å; L1652-F1656 HydrophobicContact CD2-CE1 4.45Å; L1652-F1656 HydrophobicContact CD2-CE2 3.9Å; L1652-F1656 HydrophobicContact CD2-CZ 3.8Å; L1652-F1656 HydrophobicContact CG-CD1 4.4Å; L1652-F1656 HydrophobicContact CG-CD2 4.28Å; L1652-F1656 HydrophobicContact CG-CE1 3.99Å; L1652-F1656 HydrophobicContact CG-CE2 3.9Å; L1652-F1656 VanDerWaalsContact CG-CE2 3.45Å; L1652-F1656 HydrophobicContact CG-CZ 3.79Å; L1652-F1656 WeakPolarHBondContact O-CD2 3.22Å; L1652-F1656 WeakPolarHBondContact O-CG 3.45Å; L1652-F1656 PolarHBondContact O-N 3.08Å; L1652-L1667 HydrophobicContact CD2-CD2 3.68Å; L1652-L1667 VanDerWaalsContact CD2-CD2 3.5Å; L1652-V1670 HydrophobicContact CD1-CG1 4.06Å; L1652-V1672 HydrophobicContact CD1-CG2 3.98Å |
| 1653 | N | 81.1 | Confident | 79 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 177 | -176.1 | 22.7 | 0 | 0 | 0 | 111.2 | H1450 L1483 F1484 C1651 L1655 F1656 R1657 | H1450-N1653 HydrophobicContact CB-CB 4.29Å; H1450-N1653 PolarHBondContact CE1-ND2 3.23Å; H1450-N1653 VanDerWaalsContact CE1-ND2 3.28Å; H1450-N1653 WeakPolarHBondContact ND1-CB 3.39Å; H1450-N1653 PolarHBondContact NE2-ND2 2.92Å; L1483-N1653 HydrophobicContact CD2-CB 4.29Å; L1483-N1653 VanDerWaalsContact O-CG 3.28Å; L1483-N1653 PolarHBondContact O-ND2 3.34Å; L1483-N1653 VanDerWaalsContact O-ND2 3.12Å; L1483-N1653 PolarHBondContact O-OD1 3.36Å; F1484-N1653 VanDerWaalsContact CD1-OD1 3.3Å; F1484-N1653 WeakPolarHBondContact CD1-OD1 3.39Å; F1484-N1653 WeakPolarHBondContact CE1-OD1 3.37Å; C1651-N1653 VanDerWaalsContact C-N 3.34Å; C1651-N1653 PolarHBondContact O-N 3.05Å; C1651-N1653 PolarHBondContact SG-N 3.22Å; C1651-N1653 VanDerWaalsContact SG-N 3.41Å; N1653-L1655 VanDerWaalsContact C-N 3.29Å; N1653-L1655 PolarHBondContact O-N 3.07Å; N1653-F1656 PolarHBondContact O-N 3.12Å; N1653-R1657 PolarHBondContact ND2-NH2 3.32Å; N1653-R1657 WeakPolarHBondContact O-CB 3.38Å; N1653-R1657 VanDerWaalsContact O-CG 3.31Å; N1653-R1657 WeakPolarHBondContact O-CG 3.37Å; N1653-R1657 PolarHBondContact O-N 3.02Å; N1653-R1657 PolarHBondContact OD1-NE 3.06Å |
| 1654 | D | 82.4 | Confident | 78.2 | Confident | 51.6 Ų | 51.6 | 40.9 Ų | 40.9 | 28% | 0.276 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.7 | -37.4 | 176.4 | -63.8 | -17.2 | 0 | 0 | 0 | 111.2 | C1651 L1652 K1658 | C1651-D1654 HydrophobicContact CB-CB 4.03Å; C1651-D1654 VanDerWaalsContact CB-OD2 3.26Å; C1651-D1654 WeakPolarHBondContact CB-OD2 3.39Å; C1651-D1654 PolarHBondContact O-N 2.94Å; C1651-D1654 VanDerWaalsContact SG-CG 3.53Å; C1651-D1654 PolarHBondContact SG-OD2 3.24Å; L1652-D1654 VanDerWaalsContact C-N 3.32Å; L1652-D1654 PolarHBondContact O-N 2.94Å; D1654-K1658 WeakPolarHBondContact O-CG 3.33Å; D1654-K1658 PolarHBondContact O-N 3.08Å; D1654-K1658 VanDerWaalsContact O-N 3.11Å |
| 1655 | L | 83.5 | Confident | 77.2 | Confident | 5.8 Ų | 5.8 | 43.1 Ų | 43.1 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.2 | -49.6 | 172.8 | -65.5 | 179.5 | 0 | 0 | 0 | 111.5 | V1634 F1643 P1649 C1651 L1652 N1653 R1657 K1658 V1659 V1672 | V1634-L1655 HydrophobicContact CG2-CB 4.26Å; V1634-L1655 HydrophobicContact CG2-CD1 3.91Å; V1634-L1655 HydrophobicContact CG2-CD2 4.06Å; V1634-L1655 HydrophobicContact CG2-CG 4.44Å; F1643-L1655 HydrophobicContact CD2-CD2 4.44Å; F1643-L1655 HydrophobicContact CE1-CD2 4.18Å; F1643-L1655 HydrophobicContact CE2-CD2 3.61Å; F1643-L1655 VanDerWaalsContact CE2-CD2 3.42Å; F1643-L1655 HydrophobicContact CZ-CB 4.48Å; F1643-L1655 HydrophobicContact CZ-CD1 4.22Å; F1643-L1655 HydrophobicContact CZ-CD2 3.19Å; F1643-L1655 HydrophobicContact CZ-CG 4.14Å; P1649-L1655 HydrophobicContact CB-CD1 4.15Å; P1649-L1655 HydrophobicContact CB-CD2 3.99Å; P1649-L1655 HydrophobicContact CB-CG 4.39Å; P1649-L1655 HydrophobicContact CG-CD2 4.44Å; C1651-L1655 WeakPolarHBondContact O-CG 3.32Å; C1651-L1655 PolarHBondContact O-N 3.05Å; L1652-L1655 HydrophobicContact CD1-CD1 4.46Å; L1652-L1655 WeakPolarHBondContact O-CB 3.31Å; L1652-L1655 PolarHBondContact O-N 3.24Å; L1652-L1655 VanDerWaalsContact O-N 3.16Å; N1653-L1655 VanDerWaalsContact C-N 3.29Å; N1653-L1655 PolarHBondContact O-N 3.07Å; L1655-R1657 VanDerWaalsContact C-N 3.31Å; L1655-R1657 PolarHBondContact O-N 3.11Å; L1655-K1658 WeakPolarHBondContact O-CA 3.37Å; L1655-K1658 WeakPolarHBondContact O-CB 3.42Å; L1655-K1658 PolarHBondContact O-N 3.21Å; L1655-K1658 VanDerWaalsContact O-N 3.14Å; L1655-V1659 VanDerWaalsContact O-CG2 3.3Å; L1655-V1659 WeakPolarHBondContact O-CG2 3.34Å; L1655-V1659 PolarHBondContact O-N 3.14Å; L1655-V1659 VanDerWaalsContact O-N 3.08Å; L1655-V1672 HydrophobicContact CD1-CG1 3.78Å; L1655-V1672 HydrophobicContact CD1-CG2 4.18Å |
| 1656 | F | 81.1 | Confident | 76.5 | Confident | 0.2 Ų | 0.2 | 44.8 Ų | 44.8 | 0% | 0.001 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 178.6 | -70.3 | -14.6 | 0 | 0 | 0 | 113 | L1483 F1484 V1634 I1636 L1652 N1653 K1658 V1659 G1660 V1661 W1664 V1670 | L1483-F1656 HydrophobicContact CD1-CE2 4.21Å; L1483-F1656 HydrophobicContact CD2-CD2 4.5Å; F1484-F1656 HydrophobicContact CE1-CB 3.69Å; F1484-F1656 HydrophobicContact CE1-CD2 4.23Å; F1484-F1656 HydrophobicContact CE1-CG 4.41Å; F1484-F1656 HydrophobicContact CZ-CB 3.8Å; F1484-F1656 AromaticContact CZ-CD2 3.83Å; F1484-F1656 HydrophobicContact CZ-CD2 4.03Å; F1484-F1656 HydrophobicContact CZ-CG 4.23Å; V1634-F1656 HydrophobicContact CG1-CE1 4.35Å; I1636-F1656 HydrophobicContact CD1-CD1 3.84Å; I1636-F1656 HydrophobicContact CD1-CE1 3.51Å; I1636-F1656 VanDerWaalsContact CD1-CE1 3.45Å; I1636-F1656 HydrophobicContact CD1-CZ 4.25Å; I1636-F1656 HydrophobicContact CG1-CE1 4.16Å; L1652-F1656 HydrophobicContact CD1-CD1 4.33Å; L1652-F1656 HydrophobicContact CD1-CE1 3.94Å; L1652-F1656 HydrophobicContact CD1-CE2 4.26Å; L1652-F1656 HydrophobicContact CD1-CZ 4.11Å; L1652-F1656 HydrophobicContact CD2-CD2 4.47Å; L1652-F1656 HydrophobicContact CD2-CE1 4.45Å; L1652-F1656 HydrophobicContact CD2-CE2 3.9Å; L1652-F1656 HydrophobicContact CD2-CZ 3.8Å; L1652-F1656 HydrophobicContact CG-CD1 4.4Å; L1652-F1656 HydrophobicContact CG-CD2 4.28Å; L1652-F1656 HydrophobicContact CG-CE1 3.99Å; L1652-F1656 HydrophobicContact CG-CE2 3.9Å; L1652-F1656 VanDerWaalsContact CG-CE2 3.45Å; L1652-F1656 HydrophobicContact CG-CZ 3.79Å; L1652-F1656 WeakPolarHBondContact O-CD2 3.22Å; L1652-F1656 WeakPolarHBondContact O-CG 3.45Å; L1652-F1656 PolarHBondContact O-N 3.08Å; N1653-F1656 PolarHBondContact O-N 3.12Å; F1656-K1658 VanDerWaalsContact C-N 3.34Å; F1656-K1658 PolarHBondContact O-N 3.39Å; F1656-V1659 PolarHBondContact O-N 3.16Å; F1656-G1660 PolarHBondContact O-N 3.23Å; F1656-V1661 PolarHBondContact O-N 3.08Å; F1656-W1664 HydrophobicContact CD2-CD2 4.33Å; F1656-W1664 AromaticContact CD2-CE3 3.65Å; F1656-W1664 HydrophobicContact CD2-CE3 3.93Å; F1656-W1664 HydrophobicContact CD2-CH2 4.2Å; F1656-W1664 AromaticContact CD2-CZ3 3.55Å; F1656-W1664 HydrophobicContact CD2-CZ3 3.79Å; F1656-W1664 AromaticContact CD2-NE1 3.95Å; F1656-W1664 AromaticContact CE2-CD1 3.83Å; F1656-W1664 AromaticContact CE2-CD2 3.69Å; F1656-W1664 HydrophobicContact CE2-CD2 4Å; F1656-W1664 AromaticContact CE2-CE2 3.84Å; F1656-W1664 AromaticContact CE2-CE3 3.45Å; F1656-W1664 HydrophobicContact CE2-CE3 3.72Å; F1656-W1664 VanDerWaalsContact CE2-CE3 3.45Å; F1656-W1664 HydrophobicContact CE2-CG 4.25Å; F1656-W1664 HydrophobicContact CE2-CH2 4.31Å; F1656-W1664 HydrophobicContact CE2-CZ2 4.42Å; F1656-W1664 AromaticContact CE2-CZ3 3.77Å; F1656-W1664 HydrophobicContact CE2-CZ3 3.96Å; F1656-W1664 AromaticContact CE2-NE1 3.79Å; F1656-W1664 HydrophobicContact CZ-CE3 4.42Å; F1656-W1664 HydrophobicContact CZ-CG 4.5Å; F1656-V1670 HydrophobicContact CE1-CG1 4.11Å; F1656-V1670 HydrophobicContact CZ-CG1 4.04Å; F1656-V1670 HydrophobicContact CZ-CG2 4.02Å |
| 1657 | R | 79.1 | Confident | 76.2 | Confident | 122.8 Ų | 122.8 | 42.4 Ų | 42.4 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64 | -40 | 173 | -75.7 | 177 | -178.7 | -175 | -1 | 112.2 | F1484 G1486 N1653 L1655 V1659 G1660 | F1484-R1657 HydrophobicContact CD1-CG 4.07Å; F1484-R1657 HydrophobicContact CE1-CG 4.07Å; F1484-R1657 PolarHBondContact O-NH2 2.9Å; G1486-R1657 PolarHBondContact O-NH2 2.97Å; N1653-R1657 PolarHBondContact ND2-NH2 3.32Å; N1653-R1657 WeakPolarHBondContact O-CB 3.38Å; N1653-R1657 VanDerWaalsContact O-CG 3.31Å; N1653-R1657 WeakPolarHBondContact O-CG 3.37Å; N1653-R1657 PolarHBondContact O-N 3.02Å; N1653-R1657 PolarHBondContact OD1-NE 3.06Å; L1655-R1657 VanDerWaalsContact C-N 3.31Å; L1655-R1657 PolarHBondContact O-N 3.11Å; R1657-V1659 VanDerWaalsContact C-N 3.31Å; R1657-V1659 PolarHBondContact O-N 3.2Å; R1657-G1660 PolarHBondContact O-N 3.21Å |
| 1658 | K | 78.4 | Confident | 75.7 | Confident | 132 Ų | 132 | 43.2 Ų | 43.2 | 57% | 0.574 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.9 | -36.2 | 172.8 | -75.7 | -176.7 | 176.1 | -169.9 | 0 | 112.3 | F1643 D1654 L1655 F1656 | F1643-K1658 HydrophobicContact CD1-CB 4.22Å; F1643-K1658 HydrophobicContact CD1-CD 4.43Å; F1643-K1658 HydrophobicContact CE1-CB 3.99Å; F1643-K1658 HydrophobicContact CG-CD 4.43Å; F1643-K1658 HydrophobicContact CZ-CB 4.31Å; D1654-K1658 WeakPolarHBondContact O-CG 3.33Å; D1654-K1658 PolarHBondContact O-N 3.08Å; D1654-K1658 VanDerWaalsContact O-N 3.11Å; L1655-K1658 WeakPolarHBondContact O-CA 3.37Å; L1655-K1658 WeakPolarHBondContact O-CB 3.42Å; L1655-K1658 PolarHBondContact O-N 3.21Å; L1655-K1658 VanDerWaalsContact O-N 3.14Å; F1656-K1658 VanDerWaalsContact C-N 3.34Å; F1656-K1658 PolarHBondContact O-N 3.39Å |
| 1659 | V | 75.8 | Confident | 75.1 | Confident | 31.6 Ų | 31.6 | 45.1 Ų | 45.1 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.7 | -25.3 | -179.1 | -169.4 | 0 | 0 | 0 | 0 | 112.7 | Y1641 F1643 L1655 F1656 R1657 V1661 | Y1641-V1659 HydrophobicContact CD1-CG1 3.25Å; Y1641-V1659 HydrophobicContact CD2-CG1 3.62Å; Y1641-V1659 VanDerWaalsContact CD2-CG1 3.48Å; Y1641-V1659 HydrophobicContact CD2-CG2 4.48Å; Y1641-V1659 HydrophobicContact CE1-CG1 3.46Å; Y1641-V1659 VanDerWaalsContact CE1-CG1 3.47Å; Y1641-V1659 HydrophobicContact CE2-CG1 3.83Å; Y1641-V1659 HydrophobicContact CG-CB 4.45Å; Y1641-V1659 HydrophobicContact CG-CG1 3.3Å; Y1641-V1659 HydrophobicContact CG-CG2 4.19Å; Y1641-V1659 VanDerWaalsContact CZ-CG1 3.44Å; F1643-V1659 HydrophobicContact CE1-CG2 3.94Å; F1643-V1659 HydrophobicContact CE2-CG2 3.63Å; F1643-V1659 HydrophobicContact CZ-CB 4.02Å; F1643-V1659 HydrophobicContact CZ-CG1 4.25Å; F1643-V1659 HydrophobicContact CZ-CG2 3.46Å; F1643-V1659 VanDerWaalsContact CZ-CG2 3.46Å; L1655-V1659 VanDerWaalsContact O-CG2 3.3Å; L1655-V1659 WeakPolarHBondContact O-CG2 3.34Å; L1655-V1659 PolarHBondContact O-N 3.14Å; L1655-V1659 VanDerWaalsContact O-N 3.08Å; F1656-V1659 PolarHBondContact O-N 3.16Å; R1657-V1659 VanDerWaalsContact C-N 3.31Å; R1657-V1659 PolarHBondContact O-N 3.2Å; V1659-V1661 VanDerWaalsContact C-N 3.31Å; V1659-V1661 HydrophobicContact CB-CB 4.46Å; V1659-V1661 HydrophobicContact CB-CG2 4.19Å; V1659-V1661 HydrophobicContact CG1-CB 4.39Å; V1659-V1661 HydrophobicContact CG1-CG2 3.52Å; V1659-V1661 VanDerWaalsContact CG1-CG2 3.49Å; V1659-V1661 PolarHBondContact O-N 3.18Å |
| 1660 | G | 70.9 | Confident | 74.9 | Confident | 56.2 Ų | 56.2 | 45 Ų | 45 | 58% | 0.579 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 18.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | F1656 R1657 V1662 | F1656-G1660 PolarHBondContact O-N 3.23Å; R1657-G1660 PolarHBondContact O-N 3.21Å; G1660-V1662 PolarHBondContact O-N 2.8Å |
| 1661 | V | 68.2 | Low | 74.8 | Confident | 19.4 Ų | 19.4 | 48 Ų | 48 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | trans | -83.8 | 112.7 | 179.1 | 171 | 0 | 0 | 0 | 0 | 109.7 | F1484 I1636 Y1641 F1656 V1659 S1663 | F1484-V1661 VanDerWaalsContact CZ-O 3.29Å; F1484-V1661 WeakPolarHBondContact CZ-O 3.39Å; I1636-V1661 HydrophobicContact CD1-CB 4.33Å; I1636-V1661 HydrophobicContact CD1-CG1 4.22Å; I1636-V1661 HydrophobicContact CD1-CG2 4.25Å; Y1641-V1661 HydrophobicContact CE2-CG2 4.16Å; F1656-V1661 PolarHBondContact O-N 3.08Å; V1659-V1661 VanDerWaalsContact C-N 3.31Å; V1659-V1661 HydrophobicContact CB-CB 4.46Å; V1659-V1661 HydrophobicContact CB-CG2 4.19Å; V1659-V1661 HydrophobicContact CG1-CB 4.39Å; V1659-V1661 HydrophobicContact CG1-CG2 3.52Å; V1659-V1661 VanDerWaalsContact CG1-CG2 3.49Å; V1659-V1661 PolarHBondContact O-N 3.18Å; V1661-S1663 VanDerWaalsContact CG1-O 3.31Å; V1661-S1663 WeakPolarHBondContact CG1-O 3.31Å | ||
| 1662 | V | 61.1 | Low | 75 | Confident | 92.6 Ų | 92.6 | 48 Ų | 48 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | trans | -92.9 | -18.6 | 179.5 | -164.7 | 0 | 0 | 0 | 0 | 112.1 | P1481 G1660 | P1481-V1662 WeakPolarHBondContact CD-O 3.47Å; P1481-V1662 HydrophobicContact CG-CG1 3.96Å; P1481-V1662 VanDerWaalsContact CG-O 3.29Å; P1481-V1662 WeakPolarHBondContact CG-O 3.25Å; G1660-V1662 PolarHBondContact O-N 2.8Å | ||
| 1663 | S | 60.9 | Low | 75.2 | Confident | 102 Ų | 102 | 48.1 Ų | 48.1 | 71% | 0.713 | 28% | 0.283 | S | S | * | . | trans | -131.8 | 126.8 | -177.4 | 140.3 | 0 | 0 | 0 | 0 | 111.8 | V1661 | V1661-S1663 VanDerWaalsContact CG1-O 3.31Å; V1661-S1663 WeakPolarHBondContact CG1-O 3.31Å | ||
| 1664 | W | 65.2 | Low | 75.6 | Confident | 29.4 Ų | 29.4 | 48.1 Ų | 48.1 | 11% | 0.111 | 28% | 0.283 | C | S | . | . | trans | -134 | 149.1 | 171.8 | 54 | 77.9 | 0 | 0 | 0 | 108.3 | Y1454 P1481 L1483 F1484 I1636 F1656 L1667 | Y1454-W1664 HydrophobicContact CD1-CH2 4.23Å; Y1454-W1664 HydrophobicContact CD2-CH2 4.28Å; Y1454-W1664 HydrophobicContact CD2-CZ2 4.49Å; Y1454-W1664 AromaticContact CE1-CH2 3.73Å; Y1454-W1664 HydrophobicContact CE1-CH2 4.01Å; Y1454-W1664 HydrophobicContact CE1-CZ3 4.38Å; Y1454-W1664 AromaticContact CE2-CH2 3.77Å; Y1454-W1664 HydrophobicContact CE2-CH2 3.77Å; Y1454-W1664 AromaticContact CE2-CZ2 3.96Å; Y1454-W1664 HydrophobicContact CE2-CZ2 4.13Å; Y1454-W1664 AromaticContact CZ-CH2 3.66Å; Y1454-W1664 AromaticContact CZ-NE1 3.9Å; P1481-W1664 HydrophobicContact CB-CH2 3.76Å; P1481-W1664 HydrophobicContact CB-CZ2 4.21Å; P1481-W1664 HydrophobicContact CG-CH2 4.41Å; L1483-W1664 HydrophobicContact CB-CH2 3.77Å; L1483-W1664 HydrophobicContact CB-CZ2 4.11Å; L1483-W1664 HydrophobicContact CD1-CH2 3.64Å; L1483-W1664 HydrophobicContact CD1-CZ2 3.29Å; L1483-W1664 VanDerWaalsContact CD1-CZ2 3.46Å; L1483-W1664 HydrophobicContact CD1-CZ3 4.46Å; L1483-W1664 HydrophobicContact CG-CH2 4.17Å; L1483-W1664 HydrophobicContact CG-CZ2 4.06Å; F1484-W1664 HydrophobicContact CD2-CH2 4.28Å; F1484-W1664 HydrophobicContact CD2-CZ3 4.41Å; F1484-W1664 AromaticContact CE2-CH2 3.69Å; F1484-W1664 HydrophobicContact CE2-CH2 3.69Å; F1484-W1664 AromaticContact CE2-CZ3 3.41Å; F1484-W1664 HydrophobicContact CE2-CZ3 3.41Å; F1484-W1664 VanDerWaalsContact CE2-CZ3 3.41Å; F1484-W1664 AromaticContact CE2-NE1 3.8Å; F1484-W1664 HydrophobicContact CZ-CH2 4.29Å; F1484-W1664 AromaticContact CZ-CZ3 3.74Å; F1484-W1664 HydrophobicContact CZ-CZ3 3.74Å; I1636-W1664 HydrophobicContact CG2-CB 4.07Å; F1656-W1664 HydrophobicContact CD2-CD2 4.33Å; F1656-W1664 AromaticContact CD2-CE3 3.65Å; F1656-W1664 HydrophobicContact CD2-CE3 3.93Å; F1656-W1664 HydrophobicContact CD2-CH2 4.2Å; F1656-W1664 AromaticContact CD2-CZ3 3.55Å; F1656-W1664 HydrophobicContact CD2-CZ3 3.79Å; F1656-W1664 AromaticContact CD2-NE1 3.95Å; F1656-W1664 AromaticContact CE2-CD1 3.83Å; F1656-W1664 AromaticContact CE2-CD2 3.69Å; F1656-W1664 HydrophobicContact CE2-CD2 4Å; F1656-W1664 AromaticContact CE2-CE2 3.84Å; F1656-W1664 AromaticContact CE2-CE3 3.45Å; F1656-W1664 HydrophobicContact CE2-CE3 3.72Å; F1656-W1664 VanDerWaalsContact CE2-CE3 3.45Å; F1656-W1664 HydrophobicContact CE2-CG 4.25Å; F1656-W1664 HydrophobicContact CE2-CH2 4.31Å; F1656-W1664 HydrophobicContact CE2-CZ2 4.42Å; F1656-W1664 AromaticContact CE2-CZ3 3.77Å; F1656-W1664 HydrophobicContact CE2-CZ3 3.96Å; F1656-W1664 AromaticContact CE2-NE1 3.79Å; F1656-W1664 HydrophobicContact CZ-CE3 4.42Å; F1656-W1664 HydrophobicContact CZ-CG 4.5Å; W1664-L1667 HydrophobicContact CE3-CD2 4.32Å; W1664-L1667 HydrophobicContact CH2-CD1 4.43Å; W1664-L1667 HydrophobicContact CH2-CD2 3.82Å; W1664-L1667 HydrophobicContact CH2-CG 3.77Å; W1664-L1667 HydrophobicContact CZ2-CD2 4.44Å; W1664-L1667 HydrophobicContact CZ3-CB 4.35Å; W1664-L1667 HydrophobicContact CZ3-CD2 3.8Å; W1664-L1667 HydrophobicContact CZ3-CG 3.6Å | ||
| 1665 | A | 59.5 | Low | 75.9 | Confident | 83.4 Ų | 83.4 | 46.5 Ų | 46.5 | 69% | 0.689 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -79.8 | -47.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1666 | D | 68.3 | Low | 76.2 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | trans | -152.5 | 140.4 | -176.5 | -175.8 | -5.4 | 0 | 0 | 0 | 109.4 | S1668 S1669 | D1666-S1668 PolarHBondContact O-N 3.03Å; D1666-S1668 WeakPolarHBondContact OD1-CB 3.22Å; D1666-S1668 PolarHBondContact OD1-N 3.26Å; D1666-S1668 PolarHBondContact OD1-OG 3.3Å; D1666-S1668 VanDerWaalsContact OD2-CB 3.32Å; D1666-S1668 WeakPolarHBondContact OD2-CB 3.37Å; D1666-S1668 PolarHBondContact OD2-OG 3.1Å; D1666-S1669 WeakPolarHBondContact O-CB 3.3Å; D1666-S1669 PolarHBondContact O-N 2.92Å; D1666-S1669 PolarHBondContact O-OG 3.1Å | ||
| 1667 | L | 72.8 | Confident | 76.4 | Confident | 15.8 Ų | 15.8 | 46.7 Ų | 46.7 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -60.6 | -24.4 | 172.3 | -75.2 | 176.5 | 0 | 0 | 0 | 112.2 | V1451 Y1454 K1455 L1483 L1652 W1664 S1669 V1670 | V1451-L1667 HydrophobicContact CG1-CD1 4.3Å; Y1454-L1667 HydrophobicContact CD1-CD1 3.46Å; Y1454-L1667 HydrophobicContact CD1-CG 4.32Å; Y1454-L1667 HydrophobicContact CE1-CD1 3.7Å; Y1454-L1667 HydrophobicContact CE1-CG 4.15Å; Y1454-L1667 HydrophobicContact CG-CD1 4.35Å; K1455-L1667 HydrophobicContact CG-CD1 4.32Å; L1483-L1667 HydrophobicContact CD1-CD1 4.49Å; L1483-L1667 HydrophobicContact CD1-CD2 4.17Å; L1652-L1667 HydrophobicContact CD2-CD2 3.68Å; L1652-L1667 VanDerWaalsContact CD2-CD2 3.5Å; W1664-L1667 HydrophobicContact CE3-CD2 4.32Å; W1664-L1667 HydrophobicContact CH2-CD1 4.43Å; W1664-L1667 HydrophobicContact CH2-CD2 3.82Å; W1664-L1667 HydrophobicContact CH2-CG 3.77Å; W1664-L1667 HydrophobicContact CZ2-CD2 4.44Å; W1664-L1667 HydrophobicContact CZ3-CB 4.35Å; W1664-L1667 HydrophobicContact CZ3-CD2 3.8Å; W1664-L1667 HydrophobicContact CZ3-CG 3.6Å; L1667-S1669 PolarHBondContact O-N 3.13Å; L1667-V1670 HydrophobicContact CD2-CG2 4.45Å; L1667-V1670 WeakPolarHBondContact O-CB 3.35Å; L1667-V1670 PolarHBondContact O-N 3.25Å; L1667-V1670 VanDerWaalsContact O-N 3.14Å |
| 1668 | S | 71.3 | Confident | 76.8 | Confident | 96.4 Ų | 96.4 | 41 Ų | 41 | 67% | 0.674 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -63.5 | -25.2 | 173.7 | 77.5 | 0 | 0 | 0 | 0 | 113.1 | D1666 V1670 | D1666-S1668 PolarHBondContact O-N 3.03Å; D1666-S1668 WeakPolarHBondContact OD1-CB 3.22Å; D1666-S1668 PolarHBondContact OD1-N 3.26Å; D1666-S1668 PolarHBondContact OD1-OG 3.3Å; D1666-S1668 VanDerWaalsContact OD2-CB 3.32Å; D1666-S1668 WeakPolarHBondContact OD2-CB 3.37Å; D1666-S1668 PolarHBondContact OD2-OG 3.1Å; S1668-V1670 VanDerWaalsContact C-N 3.27Å; S1668-V1670 PolarHBondContact O-N 3.27Å |
| 1669 | S | 74.5 | Confident | 77.3 | Confident | 40.8 Ų | 40.8 | 35.3 Ų | 35.3 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -84.4 | 0.7 | 177.4 | 75.3 | 0 | 0 | 0 | 0 | 113.8 | A1637 D1666 L1667 | A1637-S1669 PolarHBondContact N-O 2.81Å; D1666-S1669 WeakPolarHBondContact O-CB 3.3Å; D1666-S1669 PolarHBondContact O-N 2.92Å; D1666-S1669 PolarHBondContact O-OG 3.1Å; L1667-S1669 PolarHBondContact O-N 3.13Å |
| 1670 | V | 82.2 | Confident | 77.7 | Confident | 8.6 Ų | 8.6 | 34.3 Ų | 34.3 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.1 | -175.8 | -176.3 | 0 | 0 | 0 | 0 | 110 | T1441 V1634 F1635 I1636 L1652 F1656 L1667 S1668 V1672 | T1441-V1670 WeakPolarHBondContact CG2-O 3.37Å; V1634-V1670 HydrophobicContact CG1-CG1 4.43Å; F1635-V1670 CarbonylContact O-C 3.58Å; F1635-V1670 VanDerWaalsContact O-CA 3.27Å; F1635-V1670 WeakPolarHBondContact O-CA 3.37Å; I1636-V1670 HydrophobicContact CG1-CG2 4.49Å; I1636-V1670 HydrophobicContact CG2-CG2 4.45Å; L1652-V1670 HydrophobicContact CD1-CG1 4.06Å; F1656-V1670 HydrophobicContact CE1-CG1 4.11Å; F1656-V1670 HydrophobicContact CZ-CG1 4.04Å; F1656-V1670 HydrophobicContact CZ-CG2 4.02Å; L1667-V1670 HydrophobicContact CD2-CG2 4.45Å; L1667-V1670 WeakPolarHBondContact O-CB 3.35Å; L1667-V1670 PolarHBondContact O-N 3.25Å; L1667-V1670 VanDerWaalsContact O-N 3.14Å; S1668-V1670 VanDerWaalsContact C-N 3.27Å; S1668-V1670 PolarHBondContact O-N 3.27Å; V1670-V1672 HydrophobicContact CG1-CG2 4.48Å |
| 1671 | R | 84.8 | Confident | 78 | Confident | 67.2 Ų | 67.2 | 31.9 Ų | 31.9 | 25% | 0.254 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 141.2 | 173.1 | -152.1 | -173.3 | -171.6 | -164.8 | -0.2 | 109.9 | D1439 T1441 V1634 F1635 I1673 R1881 S1883 | D1439-R1671 IonicContact OD2-CZ 3.06Å; D1439-R1671 VanDerWaalsContact OD2-CZ 3.26Å; D1439-R1671 IonicContact OD2-NE 2.94Å; D1439-R1671 PolarHBondContact OD2-NE 3.21Å; D1439-R1671 IonicContact OD2-NH2 3.28Å; D1439-R1671 PolarHBondContact OD2-NH2 2.92Å; T1441-R1671 WeakPolarHBondContact OG1-CA 3.3Å; T1441-R1671 VanDerWaalsContact OG1-CG 3.32Å; T1441-R1671 WeakPolarHBondContact OG1-CG 3.32Å; V1634-R1671 CarbonylContact C-O 3.52Å; V1634-R1671 WeakPolarHBondContact CA-O 3.3Å; F1635-R1671 HydrophobicContact CB-CB 4.13Å; F1635-R1671 HydrophobicContact CD2-CB 4.34Å; F1635-R1671 PolarHBondContact N-O 3.07Å; F1635-R1671 PolarHBondContact O-N 2.92Å; R1671-I1673 HydrophobicContact CG-CG1 4.22Å; R1671-I1673 VanDerWaalsContact CZ-CD1 3.42Å; R1671-I1673 VanDerWaalsContact NH1-CD1 3.28Å; R1671-R1881 PolarHBondContact NH1-O 2.93Å; R1671-S1883 PolarHBondContact NH1-OG 2.88Å; R1671-S1883 PolarHBondContact NH2-O 3.46Å; R1671-S1883 PolarHBondContact NH2-OG 3.23Å |
| 1672 | V | 88.7 | Confident | 78.2 | Confident | 1.4 Ų | 1.4 | 34 Ų | 34 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 115.3 | 178 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | I1440 T1441 V1444 C1632 S1633 V1634 L1652 L1655 V1670 | I1440-V1672 CarbonylContact C-O 3.43Å; I1440-V1672 HydrophobicContact CD1-CG1 3.79Å; I1440-V1672 HydrophobicContact CG1-CB 4.07Å; I1440-V1672 HydrophobicContact CG1-CG1 3.65Å; I1440-V1672 VanDerWaalsContact CG1-O 3.3Å; I1440-V1672 WeakPolarHBondContact CG1-O 3.38Å; I1440-V1672 PolarHBondContact N-O 3.13Å; T1441-V1672 PolarHBondContact N-O 3.16Å; T1441-V1672 VanDerWaalsContact N-O 3.17Å; T1441-V1672 PolarHBondContact OG1-N 3.22Å; T1441-V1672 PolarHBondContact OG1-O 3.06Å; V1444-V1672 HydrophobicContact CG2-CG1 4.42Å; C1632-V1672 VanDerWaalsContact SG-CG1 3.53Å; S1633-V1672 WeakPolarHBondContact O-CA 3.29Å; V1634-V1672 HydrophobicContact CG1-CG2 4.5Å; V1634-V1672 HydrophobicContact CG2-CG1 4.14Å; V1634-V1672 HydrophobicContact CG2-CG2 4.3Å; L1652-V1672 HydrophobicContact CD1-CG2 3.98Å; L1655-V1672 HydrophobicContact CD1-CG1 3.78Å; L1655-V1672 HydrophobicContact CD1-CG2 4.18Å; V1670-V1672 HydrophobicContact CG1-CG2 4.48Å |
| 1673 | I | 88.9 | Confident | 78.4 | Confident | 3.6 Ų | 3.6 | 31.2 Ų | 31.2 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.4 | 179.3 | -53.1 | -175.9 | 0 | 0 | 0 | 108.3 | E1437 C1632 S1633 F1635 R1671 E1675 | E1437-I1673 HydrophobicContact CB-CG2 3.81Å; E1437-I1673 HydrophobicContact CG-CG2 4.08Å; C1632-I1673 CarbonylContact C-O 3.52Å; C1632-I1673 WeakPolarHBondContact CA-O 3.37Å; C1632-I1673 PolarHBondContact SG-O 2.89Å; C1632-I1673 VanDerWaalsContact SG-O 3.41Å; S1633-I1673 PolarHBondContact N-O 3.04Å; S1633-I1673 PolarHBondContact O-N 2.92Å; F1635-I1673 HydrophobicContact CD2-CD1 4.1Å; F1635-I1673 HydrophobicContact CD2-CG1 4.2Å; F1635-I1673 HydrophobicContact CE2-CB 4.29Å; F1635-I1673 HydrophobicContact CE2-CD1 3.44Å; F1635-I1673 VanDerWaalsContact CE2-CD1 3.45Å; F1635-I1673 HydrophobicContact CE2-CG1 3.79Å; F1635-I1673 HydrophobicContact CZ-CD1 4.12Å; R1671-I1673 HydrophobicContact CG-CG1 4.22Å; R1671-I1673 VanDerWaalsContact CZ-CD1 3.42Å; R1671-I1673 VanDerWaalsContact NH1-CD1 3.28Å; I1673-E1675 HydrophobicContact CG2-CG 3.96Å |
| 1674 | L | 90.3 | Very high | 78.2 | Confident | 0.8 Ų | 0.8 | 32.1 Ų | 32.1 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.9 | 168.6 | -171.3 | 71.3 | 0 | 0 | 0 | 108 | E1437 I1438 I1440 F1501 I1630 C1632 T1645 L1648 F1676 | E1437-L1674 CarbonylContact C-O 3.42Å; E1437-L1674 WeakPolarHBondContact CA-O 3.37Å; I1438-L1674 HydrophobicContact CB-CB 4.48Å; I1438-L1674 PolarHBondContact N-O 3.24Å; I1438-L1674 PolarHBondContact O-N 3.14Å; I1440-L1674 HydrophobicContact CD1-CB 4.21Å; I1440-L1674 HydrophobicContact CG1-CB 4.4Å; I1440-L1674 HydrophobicContact CG2-CB 4Å; F1501-L1674 HydrophobicContact CE2-CD2 4.06Å; F1501-L1674 HydrophobicContact CZ-CD2 4Å; I1630-L1674 HydrophobicContact CG2-CD1 3.66Å; I1630-L1674 HydrophobicContact CG2-CG 4.2Å; C1632-L1674 HydrophobicContact CB-CD1 4.28Å; T1645-L1674 HydrophobicContact CG2-CD1 4.04Å; L1648-L1674 HydrophobicContact CD1-CD2 3.79Å; L1674-F1676 HydrophobicContact CD2-CE2 3.91Å; L1674-F1676 HydrophobicContact CD2-CZ 3.78Å; L1674-F1676 HydrophobicContact CG-CD2 4.43Å; L1674-F1676 HydrophobicContact CG-CE2 4.14Å; L1674-F1676 HydrophobicContact CG-CZ 4.29Å |
| 1675 | E | 88.5 | Confident | 77.4 | Confident | 18.4 Ų | 18.4 | 36.8 Ų | 36.8 | 9% | 0.086 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.6 | -175.8 | -58.3 | 170 | -176.6 | 0 | 0 | 108.8 | E1437 I1630 T1631 S1633 I1673 N1677 | E1437-E1675 HydrophobicContact CG-CG 4.25Å; I1630-E1675 CarbonylContact C-O 3.49Å; I1630-E1675 WeakPolarHBondContact CA-O 3.44Å; T1631-E1675 WeakPolarHBondContact CG2-OE2 3.47Å; T1631-E1675 PolarHBondContact N-O 2.87Å; T1631-E1675 PolarHBondContact O-N 3Å; T1631-E1675 VanDerWaalsContact OG1-CB 3.31Å; T1631-E1675 WeakPolarHBondContact OG1-CB 3.4Å; T1631-E1675 PolarHBondContact OG1-OE2 3.07Å; S1633-E1675 VanDerWaalsContact CB-OE1 3.25Å; S1633-E1675 WeakPolarHBondContact CB-OE1 3.31Å; S1633-E1675 PolarHBondContact OG-OE1 3.13Å; S1633-E1675 PolarHBondContact OG-OE2 3.22Å; S1633-E1675 VanDerWaalsContact OG-OE2 3.07Å; I1673-E1675 HydrophobicContact CG2-CG 3.96Å; E1675-N1677 WeakPolarHBondContact CB-OD1 3.45Å |
| 1676 | F | 88.7 | Confident | 76.4 | Confident | 3.2 Ų | 3.2 | 39.1 Ų | 39.1 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 102.8 | 173.2 | -64.9 | -93.5 | 0 | 0 | 0 | 107.6 | T1435 V1436 I1438 F1501 L1628 I1630 L1674 V1678 L1741 Y1742 A1745 | T1435-F1676 CarbonylContact C-O 3.59Å; T1435-F1676 WeakPolarHBondContact CA-O 3.43Å; V1436-F1676 HydrophobicContact CB-CB 4.43Å; V1436-F1676 PolarHBondContact N-O 3.34Å; V1436-F1676 PolarHBondContact O-N 3.07Å; I1438-F1676 HydrophobicContact CD1-CD2 4.47Å; I1438-F1676 HydrophobicContact CD1-CE2 3.66Å; I1438-F1676 HydrophobicContact CD1-CZ 4.34Å; I1438-F1676 HydrophobicContact CG1-CE2 4.01Å; F1501-F1676 HydrophobicContact CE2-CZ 4.16Å; F1501-F1676 HydrophobicContact CZ-CE1 4.23Å; F1501-F1676 HydrophobicContact CZ-CZ 4.14Å; L1628-F1676 HydrophobicContact CD1-CB 3.91Å; L1628-F1676 HydrophobicContact CD1-CD1 4.21Å; L1628-F1676 HydrophobicContact CD2-CD1 4.46Å; I1630-F1676 HydrophobicContact CD1-CD1 4.37Å; I1630-F1676 HydrophobicContact CD1-CE1 4.13Å; I1630-F1676 HydrophobicContact CG1-CD1 4.05Å; I1630-F1676 HydrophobicContact CG1-CE1 4.26Å; I1630-F1676 HydrophobicContact CG2-CE1 4.48Å; L1674-F1676 HydrophobicContact CD2-CE2 3.91Å; L1674-F1676 HydrophobicContact CD2-CZ 3.78Å; L1674-F1676 HydrophobicContact CG-CD2 4.43Å; L1674-F1676 HydrophobicContact CG-CE2 4.14Å; L1674-F1676 HydrophobicContact CG-CZ 4.29Å; F1676-V1678 PolarHBondContact O-N 3.19Å; F1676-L1741 HydrophobicContact CD1-CD2 3.85Å; F1676-L1741 HydrophobicContact CE1-CD2 3.92Å; F1676-L1741 HydrophobicContact CE1-CG 4.42Å; F1676-L1741 HydrophobicContact CG-CD2 4.29Å; F1676-L1741 HydrophobicContact CZ-CD2 4.27Å; F1676-Y1742 HydrophobicContact CB-CE1 3.48Å; F1676-Y1742 VanDerWaalsContact CB-CE1 3.48Å; F1676-Y1742 WeakPolarHBondContact CB-OH 3.29Å; F1676-Y1742 AromaticContact CD1-CE1 3.98Å; F1676-Y1742 HydrophobicContact CD1-CE1 3.98Å; F1676-Y1742 HydrophobicContact CD2-CD1 4.29Å; F1676-Y1742 HydrophobicContact CD2-CD2 4.39Å; F1676-Y1742 AromaticContact CD2-CE1 3.71Å; F1676-Y1742 HydrophobicContact CD2-CE1 3.71Å; F1676-Y1742 HydrophobicContact CE2-CE1 4.39Å; F1676-Y1742 HydrophobicContact CG-CD1 4.34Å; F1676-Y1742 AromaticContact CG-CE1 3.47Å; F1676-Y1742 HydrophobicContact CG-CE1 3.47Å; F1676-Y1742 VanDerWaalsContact CG-CE1 3.47Å; F1676-A1745 HydrophobicContact CZ-CB 4.11Å |
| 1677 | N | 87.2 | Confident | 74.9 | Confident | 5.8 Ų | 5.8 | 44.8 Ų | 44.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 101.6 | -174.4 | -57.9 | -3.5 | 0 | 0 | 0 | 107.7 | E1433 T1435 L1628 Q1629 T1631 E1675 | E1433-N1677 HydrophobicContact CG-CB 4.26Å; E1433-N1677 WeakPolarHBondContact OE1-CB 3.35Å; E1433-N1677 PolarHBondContact OE1-ND2 3.14Å; T1435-N1677 HydrophobicContact CG2-CB 4.43Å; T1435-N1677 VanDerWaalsContact CG2-OD1 3.26Å; T1435-N1677 WeakPolarHBondContact CG2-OD1 3.44Å; L1628-N1677 CarbonylContact C-O 3.49Å; L1628-N1677 WeakPolarHBondContact CA-O 3.36Å; Q1629-N1677 HydrophobicContact CB-CB 4.25Å; Q1629-N1677 PolarHBondContact N-O 3.04Å; Q1629-N1677 WeakPolarHBondContact O-CB 3.31Å; Q1629-N1677 PolarHBondContact O-N 2.89Å; T1631-N1677 WeakPolarHBondContact CG2-ND2 3.45Å; T1631-N1677 PolarHBondContact OG1-ND2 3.01Å; E1675-N1677 WeakPolarHBondContact CB-OD1 3.45Å |
| 1678 | V | 87.3 | Confident | 73 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.9 | 178 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | S1434 V1626 L1628 F1676 L1727 L1730 L1738 | S1434-V1678 PolarHBondContact N-O 3.14Å; S1434-V1678 WeakPolarHBondContact O-CB 3.4Å; S1434-V1678 PolarHBondContact O-N 2.88Å; V1626-V1678 HydrophobicContact CG1-CG1 3.7Å; L1628-V1678 HydrophobicContact CD1-CG2 4.45Å; F1676-V1678 PolarHBondContact O-N 3.19Å; V1678-L1727 HydrophobicContact CB-CD2 3.98Å; V1678-L1727 HydrophobicContact CG1-CD2 4.04Å; V1678-L1727 HydrophobicContact CG2-CD2 4.01Å; V1678-L1730 HydrophobicContact CG1-CD1 4.23Å; V1678-L1738 HydrophobicContact CG1-CD1 3.98Å; V1678-L1738 HydrophobicContact CG2-CD1 4.07Å; V1678-L1738 HydrophobicContact CG2-CD2 3.75Å |
| 1679 | L | 87.2 | Confident | 71.1 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 112.6 | -173.2 | -62.5 | 160.4 | 0 | 0 | 0 | 107.9 | I1427 C1431 E1432 E1433 Y1518 F1627 Q1629 | I1427-L1679 HydrophobicContact CG2-CB 4.38Å; I1427-L1679 HydrophobicContact CG2-CD1 3.62Å; I1427-L1679 VanDerWaalsContact CG2-CD1 3.49Å; I1427-L1679 HydrophobicContact CG2-CD2 4.17Å; I1427-L1679 HydrophobicContact CG2-CG 4.37Å; C1431-L1679 HydrophobicContact CB-CB 4.24Å; E1432-L1679 WeakPolarHBondContact O-CA 3.38Å; E1433-L1679 HydrophobicContact CB-CD2 3.71Å; E1433-L1679 HydrophobicContact CG-CD2 3.81Å; Y1518-L1679 HydrophobicContact CD1-CD1 4.05Å; Y1518-L1679 HydrophobicContact CE1-CD1 3.9Å; F1627-L1679 HydrophobicContact CB-CB 4.07Å; F1627-L1679 HydrophobicContact CB-CD1 4.49Å; F1627-L1679 PolarHBondContact N-O 3.01Å; F1627-L1679 PolarHBondContact O-N 3.3Å; Q1629-L1679 HydrophobicContact CB-CD1 4.11Å |
| 1680 | A | 84.5 | Confident | 68.9 | Low | 11.8 Ų | 11.8 | 58.8 Ų | 58.8 | 10% | 0.098 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 148.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | C1431 E1432 Y1624 P1625 V1626 L1730 | C1431-A1680 CarbonylContact C-O 3.57Å; C1431-A1680 WeakPolarHBondContact CA-O 3.32Å; E1432-A1680 PolarHBondContact N-O 3.3Å; E1432-A1680 PolarHBondContact O-N 3.08Å; E1432-A1680 VanDerWaalsContact O-N 3.17Å; Y1624-A1680 HydrophobicContact CD2-CB 4.28Å; Y1624-A1680 HydrophobicContact CE1-CB 3.9Å; Y1624-A1680 HydrophobicContact CE2-CB 4.09Å; P1625-A1680 WeakPolarHBondContact O-CB 3.45Å; V1626-A1680 HydrophobicContact CG2-CB 4.45Å; A1680-L1730 HydrophobicContact CB-CD2 4.15Å |
| 1681 | P | 78.8 | Confident | 66.6 | Low | 5.4 Ų | 5.4 | 63.9 Ų | 63.9 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 155.7 | 175.3 | 28.7 | -34.3 | 0 | 0 | 0 | 111.2 | Y1402 V1405 Y1624 P1625 S1683 | Y1402-P1681 HydrophobicContact CD2-CB 3.94Å; Y1402-P1681 HydrophobicContact CD2-CG 3.93Å; Y1402-P1681 HydrophobicContact CE2-CB 4.35Å; Y1402-P1681 HydrophobicContact CE2-CG 3.84Å; V1405-P1681 HydrophobicContact CG1-CB 4.25Å; V1405-P1681 HydrophobicContact CG1-CG 4.24Å; Y1624-P1681 HydrophobicContact CD2-CG 3.75Å; Y1624-P1681 VanDerWaalsContact CD2-CG 3.46Å; Y1624-P1681 HydrophobicContact CE2-CG 4.17Å; Y1624-P1681 HydrophobicContact CG-CG 3.94Å; Y1624-P1681 PolarHBondContact OH-O 2.91Å; P1625-P1681 HydrophobicContact CG-CG 3.59Å; P1625-P1681 WeakPolarHBondContact O-CD 3.41Å; P1681-S1683 PolarHBondContact O-N 3.34Å |
| 1682 | P | 72.1 | Confident | 63.8 | Low | 63.8 Ų | 63.8 | 63.1 Ų | 63.1 | 41% | 0.414 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 141.4 | 176.8 | 24 | -32.9 | 0 | 0 | 0 | 111.2 | Q1430 E1432 Y1624 | Q1430-P1682 VanDerWaalsContact O-CD 3.27Å; Q1430-P1682 WeakPolarHBondContact O-CD 3.28Å; E1432-P1682 HydrophobicContact CG-CB 4.37Å; Y1624-P1682 PolarHBondContact OH-O 3.11Å |
| 1683 | S | 64.5 | Low | 60.8 | Low | 33.8 Ų | 33.8 | 68.9 Ų | 68.9 | 24% | 0.236 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 125.4 | 179.8 | 60.3 | 0 | 0 | 0 | 0 | 111.4 | Y1624 P1681 N1685 T1729 | Y1624-S1683 WeakPolarHBondContact OH-CA 3.33Å; Y1624-S1683 WeakPolarHBondContact OH-CB 2.93Å; Y1624-S1683 PolarHBondContact OH-N 2.79Å; P1681-S1683 PolarHBondContact O-N 3.34Å; S1683-N1685 PolarHBondContact O-N 2.99Å; S1683-N1685 VanDerWaalsContact O-N 3.14Å; S1683-T1729 PolarHBondContact OG-OG1 2.8Å |
| 1684 | D | 55.8 | Low | 57.8 | Low | 120.4 Ų | 120.4 | 77.4 Ų | 77.4 | 64% | 0.644 | 44% | 0.441 | S | S | * | . | trans | -66.4 | 1.3 | 177.6 | -90.7 | -18.1 | 0 | 0 | 0 | 114.6 | K1188 T1686 | K1188-D1684 WeakPolarHBondContact CE-OD2 3.45Å; K1188-D1684 IonicContact NZ-OD1 3.98Å; K1188-D1684 PolarHBondContact NZ-OD1 3.17Å; K1188-D1684 IonicContact NZ-OD2 2.73Å; K1188-D1684 PolarHBondContact NZ-OD2 3.49Å; K1188-D1684 VanDerWaalsContact NZ-OD2 3.11Å; D1684-T1686 VanDerWaalsContact C-N 3.35Å; D1684-T1686 PolarHBondContact O-N 3.22Å | ||
| 1685 | N | 49.2 | Very low | 54.8 | Low | 128 Ų | 128 | 81.9 Ų | 81.9 | 68% | 0.684 | 47% | 0.472 | S | S | * | . | trans | -74.9 | 68.7 | -174.8 | -70 | -10.7 | 0 | 0 | 0 | 112.4 | S1683 E1687 | S1683-N1685 PolarHBondContact O-N 2.99Å; S1683-N1685 VanDerWaalsContact O-N 3.14Å; N1685-E1687 VanDerWaalsContact C-N 3.32Å; N1685-E1687 PolarHBondContact O-N 3.15Å | ||
| 1686 | T | 39.6 | Very low | 51.9 | Low | 132.6 Ų | 132.6 | 89.9 Ų | 89.9 | 81% | 0.813 | 51% | 0.51 | S | S | * | . | trans | -84.7 | 10.1 | 173.7 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | D1684 D1688 | D1684-T1686 VanDerWaalsContact C-N 3.35Å; D1684-T1686 PolarHBondContact O-N 3.22Å; T1686-D1688 PolarHBondContact O-N 3.08Å | ||
| 1687 | E | 36.5 | Very low | 48.9 | Very low | 168.8 Ų | 168.8 | 94 Ų | 94 | 79% | 0.789 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -82.7 | 115.3 | 169.1 | -67.9 | -168.4 | 171.8 | 0 | 0 | 109.1 | N1685 T1689 | N1685-E1687 VanDerWaalsContact C-N 3.32Å; N1685-E1687 PolarHBondContact O-N 3.15Å; E1687-T1689 PolarHBondContact O-N 3.21Å; E1687-T1689 PolarHBondContact O-OG1 3.09Å |
| 1688 | D | 32.2 | Very low | 46.1 | Very low | 163.8 Ų | 163.8 | 99.8 Ų | 99.8 | 88% | 0.876 | 57% | 0.571 | S | S | * | * | trans | -11 | 61.7 | 169.7 | -69.1 | -34.1 | 0 | 0 | 0 | 114.6 | T1686 N1690 | T1686-D1688 PolarHBondContact O-N 3.08Å; D1688-N1690 VanDerWaalsContact C-N 3.32Å; D1688-N1690 PolarHBondContact O-N 3.27Å | ||
| 1689 | T | 30.8 | Very low | 43.3 | Very low | 113.6 Ų | 113.6 | 104.3 Ų | 104.3 | 70% | 0.697 | 60% | 0.602 | S | S | * | * | trans | -89.2 | 101.1 | 155.7 | 15.9 | 0 | 0 | 0 | 0 | 107.6 | E1687 V1691 | E1687-T1689 PolarHBondContact O-N 3.21Å; E1687-T1689 PolarHBondContact O-OG1 3.09Å; T1689-V1691 VanDerWaalsContact C-N 3.29Å; T1689-V1691 HydrophobicContact CG2-CG2 4.05Å; T1689-V1691 WeakPolarHBondContact O-CG2 3.4Å; T1689-V1691 PolarHBondContact O-N 3.04Å | ||
| 1690 | N | 29.1 | Very low | 40.4 | Very low | 168.6 Ų | 168.6 | 108.9 Ų | 108.9 | 90% | 0.902 | 63% | 0.626 | S | S | * | * | trans | -64.1 | 73.7 | 173.6 | -136.3 | -11.3 | 0 | 0 | 0 | 109.6 | D1688 G1692 | D1688-N1690 VanDerWaalsContact C-N 3.32Å; D1688-N1690 PolarHBondContact O-N 3.27Å; N1690-G1692 VanDerWaalsContact C-N 3.32Å; N1690-G1692 PolarHBondContact O-N 3Å; N1690-G1692 VanDerWaalsContact O-N 3.13Å | ||
| 1691 | V | 33.2 | Very low | 37.8 | Very low | 116.2 Ų | 116.2 | 112.1 Ų | 112.1 | 70% | 0.704 | 65% | 0.648 | S | S | * | * | trans | -83.2 | 91.3 | 172 | -176 | 0 | 0 | 0 | 0 | 106.1 | T1689 C1693 F1694 | T1689-V1691 VanDerWaalsContact C-N 3.29Å; T1689-V1691 HydrophobicContact CG2-CG2 4.05Å; T1689-V1691 WeakPolarHBondContact O-CG2 3.4Å; T1689-V1691 PolarHBondContact O-N 3.04Å; V1691-C1693 PolarHBondContact O-N 3.15Å; V1691-C1693 VanDerWaalsContact O-N 3.16Å; V1691-F1694 HydrophobicContact CG1-CD2 3.78Å; V1691-F1694 HydrophobicContact CG1-CE2 3.49Å; V1691-F1694 VanDerWaalsContact CG1-CE2 3.49Å | ||
| 1692 | G | 27 | Very low | 35.6 | Very low | 49.6 Ų | 49.6 | 117.4 Ų | 117.4 | 51% | 0.511 | 68% | 0.675 | S | S | . | * | trans | -51.2 | 123.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N1690 F1694 | N1690-G1692 VanDerWaalsContact C-N 3.32Å; N1690-G1692 PolarHBondContact O-N 3Å; N1690-G1692 VanDerWaalsContact O-N 3.13Å; G1692-F1694 VanDerWaalsContact C-N 3.28Å; G1692-F1694 WeakPolarHBondContact O-CD2 3.43Å; G1692-F1694 WeakPolarHBondContact O-CE2 3.4Å; G1692-F1694 PolarHBondContact O-N 2.96Å | ||
| 1693 | C | 24.6 | Very low | 33.6 | Very low | 123.6 Ų | 123.6 | 121.4 Ų | 121.4 | 84% | 0.835 | 69% | 0.688 | S | S | * | * | trans | -63.1 | 97.4 | 173.7 | -150.3 | 0 | 0 | 0 | 0 | 111.1 | V1691 S1695 | V1691-C1693 PolarHBondContact O-N 3.15Å; V1691-C1693 VanDerWaalsContact O-N 3.16Å; C1693-S1695 PolarHBondContact O-N 2.96Å | ||
| 1694 | F | 26.9 | Very low | 31.9 | Very low | 181.8 Ų | 181.8 | 126 Ų | 126 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | trans | -72.5 | 92.2 | 167.5 | -73.1 | -76 | 0 | 0 | 0 | 110.8 | V1691 G1692 E1696 T1697 | V1691-F1694 HydrophobicContact CG1-CD2 3.78Å; V1691-F1694 HydrophobicContact CG1-CE2 3.49Å; V1691-F1694 VanDerWaalsContact CG1-CE2 3.49Å; G1692-F1694 VanDerWaalsContact C-N 3.28Å; G1692-F1694 WeakPolarHBondContact O-CD2 3.43Å; G1692-F1694 WeakPolarHBondContact O-CE2 3.4Å; G1692-F1694 PolarHBondContact O-N 2.96Å; F1694-E1696 PolarHBondContact O-N 3.3Å; F1694-T1697 HydrophobicContact CD1-CG2 4.45Å; F1694-T1697 WeakPolarHBondContact CD1-OG1 3.25Å | ||
| 1695 | S | 26.4 | Very low | 30.9 | Very low | 95.4 Ų | 95.4 | 126 Ų | 126 | 67% | 0.667 | 71% | 0.705 | S | S | * | * | trans | -55.3 | 123.1 | 166.4 | -167.1 | 0 | 0 | 0 | 0 | 112.1 | C1693 T1697 | C1693-S1695 PolarHBondContact O-N 2.96Å; S1695-T1697 VanDerWaalsContact C-N 3.35Å; S1695-T1697 PolarHBondContact O-N 3.06Å; S1695-T1697 PolarHBondContact O-OG1 3.22Å | ||
| 1696 | E | 27.7 | Very low | 30.1 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -17.7 | 63.7 | 163.8 | -63.9 | 178.1 | 164.2 | 0 | 0 | 116 | F1694 | F1694-E1696 PolarHBondContact O-N 3.3Š|
| 1697 | T | 26.3 | Very low | 29.6 | Very low | 89.8 Ų | 89.8 | 125.3 Ų | 125.3 | 55% | 0.551 | 70% | 0.698 | S | S | * | * | trans | -149.3 | 70.2 | 166.6 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | F1694 S1695 S1699 L1700 | F1694-T1697 HydrophobicContact CD1-CG2 4.45Å; F1694-T1697 WeakPolarHBondContact CD1-OG1 3.25Å; S1695-T1697 VanDerWaalsContact C-N 3.35Å; S1695-T1697 PolarHBondContact O-N 3.06Å; S1695-T1697 PolarHBondContact O-OG1 3.22Å; T1697-S1699 PolarHBondContact O-N 3.24Å; T1697-S1699 VanDerWaalsContact O-N 3.11Å; T1697-L1700 HydrophobicContact CG2-CD1 4.02Å; T1697-L1700 HydrophobicContact CG2-CG 4.03Å | ||
| 1698 | T | 28.9 | Very low | 29.3 | Very low | 127.6 Ų | 127.6 | 122.5 Ų | 122.5 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 23.1 | 161.9 | 41.6 | 0 | 0 | 0 | 0 | 112.7 | L1700 H1884 | T1698-L1700 VanDerWaalsContact C-N 3.27Å; T1698-L1700 PolarHBondContact O-N 3.24Å; T1698-H1884 PolarHBondContact O-CE1 3.44Å; T1698-H1884 PolarHBondContact O-NE2 3.16Å |
| 1699 | S | 28 | Very low | 29.4 | Very low | 97.4 Ų | 97.4 | 119.2 Ų | 119.2 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 0.1 | -178.6 | 172.3 | 0 | 0 | 0 | 0 | 115.1 | T1697 | T1697-S1699 PolarHBondContact O-N 3.24Å; T1697-S1699 VanDerWaalsContact O-N 3.11Å |
| 1700 | L | 26.8 | Very low | 29.4 | Very low | 107.2 Ų | 107.2 | 120.6 Ų | 120.6 | 56% | 0.561 | 69% | 0.687 | S | S | * | * | trans | -115.4 | 16.7 | -168.5 | -67.4 | 175 | 0 | 0 | 0 | 115 | T1697 T1698 L1702 E1703 | T1697-L1700 HydrophobicContact CG2-CD1 4.02Å; T1697-L1700 HydrophobicContact CG2-CG 4.03Å; T1698-L1700 VanDerWaalsContact C-N 3.27Å; T1698-L1700 PolarHBondContact O-N 3.24Å; L1700-L1702 VanDerWaalsContact C-N 3.26Å; L1700-L1702 PolarHBondContact O-N 3.25Å; L1700-E1703 PolarHBondContact O-N 3.32Å | ||
| 1701 | C | 30.1 | Very low | 29.4 | Very low | 80.6 Ų | 80.6 | 116.3 Ų | 116.3 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.6 | -6.9 | 175.8 | -69.9 | 0 | 0 | 0 | 0 | 114.7 | L1705 | C1701-L1705 WeakPolarHBondContact O-CD1 3.25Š|
| 1702 | L | 31 | Very low | 29.4 | Very low | 115.4 Ų | 115.4 | 115.8 Ų | 115.8 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -33.7 | -179.5 | -159.9 | 71.4 | 0 | 0 | 0 | 113.2 | L1700 E1704 L1705 E1706 E1888 | L1700-L1702 VanDerWaalsContact C-N 3.26Å; L1700-L1702 PolarHBondContact O-N 3.25Å; L1702-E1704 VanDerWaalsContact C-N 3.29Å; L1702-E1704 PolarHBondContact O-N 3.3Å; L1702-L1705 HydrophobicContact CD1-CB 4.49Å; L1702-L1705 HydrophobicContact CD1-CD1 4.37Å; L1702-L1705 VanDerWaalsContact O-CB 3.32Å; L1702-L1705 WeakPolarHBondContact O-CB 3.3Å; L1702-L1705 PolarHBondContact O-N 3.15Å; L1702-L1705 VanDerWaalsContact O-N 3.12Å; L1702-E1706 PolarHBondContact O-N 2.94Å; L1702-E1888 HydrophobicContact CD2-CG 3.65Å; L1702-E1888 WeakPolarHBondContact CD2-OE1 3.27Å |
| 1703 | E | 30.1 | Very low | 29.7 | Very low | 148 Ų | 148 | 120.6 Ų | 120.6 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -73.8 | -25.2 | -175.1 | -69.9 | -172.4 | 162.6 | 0 | 0 | 113.5 | L1700 L1705 E1706 S1707 | L1700-E1703 PolarHBondContact O-N 3.32Å; E1703-L1705 VanDerWaalsContact C-N 3.3Å; E1703-L1705 PolarHBondContact O-N 3.29Å; E1703-E1706 PolarHBondContact O-N 2.87Å; E1703-S1707 WeakPolarHBondContact O-CB 3.24Å; E1703-S1707 PolarHBondContact O-N 3.17Å; E1703-S1707 PolarHBondContact O-OG 2.93Å; E1703-S1707 VanDerWaalsContact O-OG 3.04Å |
| 1704 | E | 30.5 | Very low | 30.5 | Very low | 131.2 Ų | 131.2 | 117.7 Ų | 117.7 | 61% | 0.613 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -78.2 | -14.8 | 175.5 | -69.7 | -164.8 | 157.7 | 0 | 0 | 113.8 | L1702 E1706 S1707 N1708 R1718 | L1702-E1704 VanDerWaalsContact C-N 3.29Å; L1702-E1704 PolarHBondContact O-N 3.3Å; E1704-E1706 VanDerWaalsContact C-N 3.29Å; E1704-E1706 PolarHBondContact O-N 3.31Å; E1704-S1707 WeakPolarHBondContact CA-OG 3.36Å; E1704-N1708 PolarHBondContact O-N 3.3Å; E1704-N1708 PolarHBondContact O-ND2 2.84Å; E1704-R1718 IonicContact OE1-NH1 3.72Å; E1704-R1718 PolarHBondContact OE1-NH1 3.43Å; E1704-R1718 IonicContact OE2-CZ 2.94Å; E1704-R1718 IonicContact OE2-NH1 3.28Å; E1704-R1718 PolarHBondContact OE2-NH1 3.1Å |
| 1705 | L | 33.8 | Very low | 31.1 | Very low | 120.2 Ų | 120.2 | 113.5 Ų | 113.5 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -78 | -26.2 | 174 | -103.5 | 121.7 | 0 | 0 | 0 | 112.6 | C1701 L1702 E1703 V1714 | C1701-L1705 WeakPolarHBondContact O-CD1 3.25Å; L1702-L1705 HydrophobicContact CD1-CB 4.49Å; L1702-L1705 HydrophobicContact CD1-CD1 4.37Å; L1702-L1705 VanDerWaalsContact O-CB 3.32Å; L1702-L1705 WeakPolarHBondContact O-CB 3.3Å; L1702-L1705 PolarHBondContact O-N 3.15Å; L1702-L1705 VanDerWaalsContact O-N 3.12Å; E1703-L1705 VanDerWaalsContact C-N 3.3Å; E1703-L1705 PolarHBondContact O-N 3.29Å; L1705-V1714 HydrophobicContact CD2-CG1 4.4Å; L1705-V1714 HydrophobicContact CD2-CG2 4.33Å; L1705-V1714 HydrophobicContact CG-CG1 4.31Å |
| 1706 | E | 31.3 | Very low | 31.8 | Very low | 161.8 Ų | 161.8 | 110.3 Ų | 110.3 | 76% | 0.756 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -89 | -24 | -180 | -64.6 | -167 | 156.6 | 0 | 0 | 113.4 | L1702 E1703 E1704 N1708 | L1702-E1706 PolarHBondContact O-N 2.94Å; E1703-E1706 PolarHBondContact O-N 2.87Å; E1704-E1706 VanDerWaalsContact C-N 3.29Å; E1704-E1706 PolarHBondContact O-N 3.31Å; E1706-N1708 VanDerWaalsContact C-N 3.33Å; E1706-N1708 PolarHBondContact O-N 3.09Å |
| 1707 | S | 30.3 | Very low | 32.5 | Very low | 84.2 Ų | 84.2 | 102.5 Ų | 102.5 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -88.5 | 5.9 | -176.9 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | E1703 E1704 A1709 | E1703-S1707 WeakPolarHBondContact O-CB 3.24Å; E1703-S1707 PolarHBondContact O-N 3.17Å; E1703-S1707 PolarHBondContact O-OG 2.93Å; E1703-S1707 VanDerWaalsContact O-OG 3.04Å; E1704-S1707 WeakPolarHBondContact CA-OG 3.36Å; S1707-A1709 PolarHBondContact O-N 3.31Å; S1707-A1709 VanDerWaalsContact O-N 3.1Å |
| 1708 | N | 29.8 | Very low | 33.2 | Very low | 108.6 Ų | 108.6 | 106 Ų | 106 | 58% | 0.581 | 60% | 0.599 | S | S | * | * | trans | -112.8 | 64.8 | 174.2 | -92.8 | -25.8 | 0 | 0 | 0 | 112.2 | E1704 E1706 N1710 V1712 | E1704-N1708 PolarHBondContact O-N 3.3Å; E1704-N1708 PolarHBondContact O-ND2 2.84Å; E1706-N1708 VanDerWaalsContact C-N 3.33Å; E1706-N1708 PolarHBondContact O-N 3.09Å; N1708-N1710 PolarHBondContact O-N 2.98Å; N1708-N1710 VanDerWaalsContact O-N 3.11Å; N1708-V1712 HydrophobicContact CB-CG2 3.55Å; N1708-V1712 WeakPolarHBondContact O-CG2 3.36Å | ||
| 1709 | A | 34.9 | Very low | 34.1 | Very low | 94.4 Ų | 94.4 | 102.1 Ų | 102.1 | 78% | 0.78 | 57% | 0.573 | S | S | * | * | trans | -66 | 9.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1707 | S1707-A1709 PolarHBondContact O-N 3.31Å; S1707-A1709 VanDerWaalsContact O-N 3.1Å | ||
| 1710 | N | 30.7 | Very low | 35 | Very low | 143.8 Ų | 143.8 | 98.5 Ų | 98.5 | 77% | 0.769 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -113.6 | 61.6 | -177.1 | -72.8 | -23.7 | 0 | 0 | 0 | 112.4 | N1708 V1712 | N1708-N1710 PolarHBondContact O-N 2.98Å; N1708-N1710 VanDerWaalsContact O-N 3.11Å; N1710-V1712 VanDerWaalsContact C-N 3.25Å; N1710-V1712 WeakPolarHBondContact O-CG2 3.4Å; N1710-V1712 PolarHBondContact O-N 2.97Å |
| 1711 | G | 29.5 | Very low | 35.7 | Very low | 77.6 Ų | 77.6 | 98.8 Ų | 98.8 | 80% | 0.8 | 55% | 0.551 | S | S | * | * | trans | 58.8 | 29.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118 | Q1713 | G1711-Q1713 PolarHBondContact O-N 3.11Š| ||
| 1712 | V | 31.7 | Very low | 36.3 | Very low | 106.6 Ų | 106.6 | 97.9 Ų | 97.9 | 65% | 0.646 | 56% | 0.556 | S | S | * | * | trans | -83.2 | 131.6 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | N1708 N1710 V1714 | N1708-V1712 HydrophobicContact CB-CG2 3.55Å; N1708-V1712 WeakPolarHBondContact O-CG2 3.36Å; N1710-V1712 VanDerWaalsContact C-N 3.25Å; N1710-V1712 WeakPolarHBondContact O-CG2 3.4Å; N1710-V1712 PolarHBondContact O-N 2.97Å; V1712-V1714 PolarHBondContact O-N 3.2Å; V1712-V1714 VanDerWaalsContact O-N 3.15Å | ||
| 1713 | Q | 34.8 | Very low | 37.1 | Very low | 150.2 Ų | 150.2 | 93.5 Ų | 93.5 | 70% | 0.702 | 54% | 0.536 | S | S | * | . | trans | -48.4 | 124 | 173.2 | -133.3 | 175.2 | -0.4 | 0 | 0 | 110.2 | G1711 D1715 K1780 | G1711-Q1713 PolarHBondContact O-N 3.11Å; Q1713-D1715 VanDerWaalsContact C-N 3.3Å; Q1713-D1715 PolarHBondContact O-N 3.01Å; Q1713-K1780 VanDerWaalsContact CD-NZ 3.28Å | ||
| 1714 | V | 41.2 | Very low | 38.1 | Very low | 62.8 Ų | 62.8 | 91.2 Ų | 91.2 | 38% | 0.381 | 53% | 0.525 | S | S | . | . | trans | -66.8 | 98.7 | 168.4 | 180 | 0 | 0 | 0 | 0 | 106.7 | L1705 V1712 Y1716 S1777 | L1705-V1714 HydrophobicContact CD2-CG1 4.4Å; L1705-V1714 HydrophobicContact CD2-CG2 4.33Å; L1705-V1714 HydrophobicContact CG-CG1 4.31Å; V1712-V1714 PolarHBondContact O-N 3.2Å; V1712-V1714 VanDerWaalsContact O-N 3.15Å; V1714-Y1716 VanDerWaalsContact C-N 3.32Å; V1714-Y1716 HydrophobicContact CB-CE1 4.41Å; V1714-Y1716 HydrophobicContact CB-CE2 4.21Å; V1714-Y1716 HydrophobicContact CG1-CD1 4.15Å; V1714-Y1716 HydrophobicContact CG1-CD2 4.28Å; V1714-Y1716 HydrophobicContact CG1-CE1 3.86Å; V1714-Y1716 HydrophobicContact CG1-CE2 4.1Å; V1714-Y1716 HydrophobicContact CG1-CG 4.44Å; V1714-Y1716 VanDerWaalsContact O-CD2 3.31Å; V1714-Y1716 WeakPolarHBondContact O-CD2 3.15Å; V1714-Y1716 WeakPolarHBondContact O-CE2 3.3Å; V1714-Y1716 PolarHBondContact O-N 3Å; V1714-Y1716 VanDerWaalsContact O-N 3.09Å; V1714-S1777 PolarHBondContact O-OG 2.9Å | ||
| 1715 | D | 39.1 | Very low | 39.2 | Very low | 93.6 Ų | 93.6 | 92.2 Ų | 92.2 | 50% | 0.501 | 52% | 0.524 | S | S | . | . | trans | -84 | 90.9 | 178.6 | -164.9 | 11.3 | 0 | 0 | 0 | 108.1 | Q1713 G1717 R1718 K1780 | Q1713-D1715 VanDerWaalsContact C-N 3.3Å; Q1713-D1715 PolarHBondContact O-N 3.01Å; D1715-G1717 PolarHBondContact O-N 2.98Å; D1715-G1717 VanDerWaalsContact O-N 3.07Å; D1715-G1717 PolarHBondContact OD1-N 3.07Å; D1715-G1717 VanDerWaalsContact OD1-N 3.16Å; D1715-R1718 HydrophobicContact CB-CG 4.23Å; D1715-R1718 PolarHBondContact O-N 3.1Å; D1715-R1718 VanDerWaalsContact O-N 3.12Å; D1715-R1718 IonicContact OD2-NE 3.15Å; D1715-K1780 IonicContact OD1-NZ 2.93Å; D1715-K1780 PolarHBondContact OD1-NZ 2.94Å | ||
| 1716 | Y | 42.2 | Very low | 40.3 | Very low | 27.8 Ų | 27.8 | 87.8 Ų | 87.8 | 11% | 0.109 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -58.2 | -15 | 179.3 | -63.1 | -76.3 | 0 | 0 | 0 | 112.6 | V1714 R1718 I1719 S1743 F1746 I1747 H1774 S1777 H1781 | V1714-Y1716 VanDerWaalsContact C-N 3.32Å; V1714-Y1716 HydrophobicContact CB-CE1 4.41Å; V1714-Y1716 HydrophobicContact CB-CE2 4.21Å; V1714-Y1716 HydrophobicContact CG1-CD1 4.15Å; V1714-Y1716 HydrophobicContact CG1-CD2 4.28Å; V1714-Y1716 HydrophobicContact CG1-CE1 3.86Å; V1714-Y1716 HydrophobicContact CG1-CE2 4.1Å; V1714-Y1716 HydrophobicContact CG1-CG 4.44Å; V1714-Y1716 VanDerWaalsContact O-CD2 3.31Å; V1714-Y1716 WeakPolarHBondContact O-CD2 3.15Å; V1714-Y1716 WeakPolarHBondContact O-CE2 3.3Å; V1714-Y1716 PolarHBondContact O-N 3Å; V1714-Y1716 VanDerWaalsContact O-N 3.09Å; Y1716-R1718 VanDerWaalsContact C-N 3.27Å; Y1716-R1718 PolarHBondContact O-N 3.12Å; Y1716-R1718 VanDerWaalsContact O-N 3.17Å; Y1716-I1719 HydrophobicContact CD1-CD1 4.15Å; Y1716-I1719 WeakPolarHBondContact O-CB 3.33Å; Y1716-I1719 WeakPolarHBondContact O-CD1 3.45Å; Y1716-I1719 VanDerWaalsContact O-CG1 3.27Å; Y1716-I1719 WeakPolarHBondContact O-CG1 3.47Å; Y1716-I1719 PolarHBondContact O-N 3Å; Y1716-S1743 WeakPolarHBondContact CB-OG 3.49Å; Y1716-S1743 WeakPolarHBondContact CD1-OG 3.25Å; Y1716-F1746 AromaticContact CD1-CD1 3.75Å; Y1716-F1746 HydrophobicContact CD1-CD1 3.96Å; Y1716-F1746 AromaticContact CD1-CE1 3.71Å; Y1716-F1746 HydrophobicContact CD1-CE1 3.71Å; Y1716-F1746 HydrophobicContact CD1-CZ 4.49Å; Y1716-F1746 AromaticContact CE1-CD1 3.84Å; Y1716-F1746 HydrophobicContact CE1-CD1 3.91Å; Y1716-F1746 AromaticContact CE1-CE1 3.55Å; Y1716-F1746 HydrophobicContact CE1-CE1 3.7Å; Y1716-F1746 HydrophobicContact CE1-CZ 4.14Å; Y1716-I1747 HydrophobicContact CD2-CD1 3.97Å; Y1716-I1747 HydrophobicContact CD2-CG1 4.03Å; Y1716-I1747 HydrophobicContact CE2-CD1 4.34Å; Y1716-I1747 HydrophobicContact CE2-CG1 4.09Å; Y1716-H1774 PolarHBondContact OH-ND1 3.1Å; Y1716-S1777 VanDerWaalsContact CE2-CB 3.46Å; Y1716-S1777 VanDerWaalsContact CE2-OG 3.27Å; Y1716-S1777 WeakPolarHBondContact CE2-OG 3.17Å; Y1716-S1777 PolarHBondContact OH-OG 2.98Å; Y1716-H1781 AromaticContact CD2-CD2 3.73Å; Y1716-H1781 AromaticContact CD2-CE1 3.99Å; Y1716-H1781 AromaticContact CD2-NE2 3.76Å; Y1716-H1781 AromaticContact CE2-CE1 3.9Å; Y1716-H1781 AromaticContact CE2-NE2 3.56Å; Y1716-H1781 WeakPolarHBondContact CE2-NE2 3.46Å; Y1716-H1781 PolarHBondContact OH-CE1 3.17Å |
| 1717 | G | 40.4 | Very low | 41.9 | Very low | 23.8 Ų | 23.8 | 80.3 Ų | 80.3 | 25% | 0.245 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -62.9 | -19.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1715 I1719 F1720 E1739 | D1715-G1717 PolarHBondContact O-N 2.98Å; D1715-G1717 VanDerWaalsContact O-N 3.07Å; D1715-G1717 PolarHBondContact OD1-N 3.07Å; D1715-G1717 VanDerWaalsContact OD1-N 3.16Å; G1717-I1719 VanDerWaalsContact C-N 3.33Å; G1717-I1719 PolarHBondContact O-N 3.05Å; G1717-F1720 PolarHBondContact O-N 2.96Å; G1717-E1739 WeakPolarHBondContact CA-OE1 3.49Å |
| 1718 | R | 42.3 | Very low | 43.4 | Very low | 163.2 Ų | 163.2 | 79.8 Ų | 79.8 | 62% | 0.616 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -74 | -9.4 | 176.9 | -75.3 | -169 | 177 | -160.8 | -1.9 | 114.7 | E1704 D1715 Y1716 F1720 V1721 | E1704-R1718 IonicContact OE1-NH1 3.72Å; E1704-R1718 PolarHBondContact OE1-NH1 3.43Å; E1704-R1718 IonicContact OE2-CZ 2.94Å; E1704-R1718 IonicContact OE2-NH1 3.28Å; E1704-R1718 PolarHBondContact OE2-NH1 3.1Å; D1715-R1718 HydrophobicContact CB-CG 4.23Å; D1715-R1718 PolarHBondContact O-N 3.1Å; D1715-R1718 VanDerWaalsContact O-N 3.12Å; D1715-R1718 IonicContact OD2-NE 3.15Å; Y1716-R1718 VanDerWaalsContact C-N 3.27Å; Y1716-R1718 PolarHBondContact O-N 3.12Å; Y1716-R1718 VanDerWaalsContact O-N 3.17Å; R1718-F1720 PolarHBondContact O-N 3.25Å; R1718-F1720 VanDerWaalsContact O-N 3.15Å; R1718-V1721 HydrophobicContact CB-CG2 4.33Å; R1718-V1721 HydrophobicContact CG-CG2 4.41Å; R1718-V1721 VanDerWaalsContact O-CB 3.27Å; R1718-V1721 WeakPolarHBondContact O-CB 3.36Å; R1718-V1721 VanDerWaalsContact O-CG2 3.26Å; R1718-V1721 WeakPolarHBondContact O-CG2 3.25Å; R1718-V1721 PolarHBondContact O-N 3.23Å; R1718-V1721 VanDerWaalsContact O-N 3.08Å |
| 1719 | I | 48.1 | Very low | 45.2 | Very low | 46 Ų | 46 | 77.4 Ų | 77.4 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -66.4 | -27.2 | -179 | -61.7 | 174.1 | 0 | 0 | 0 | 111.2 | V1436 Y1716 G1717 V1721 Y1742 F1746 | V1436-I1719 HydrophobicContact CG1-CG2 4.28Å; Y1716-I1719 HydrophobicContact CD1-CD1 4.15Å; Y1716-I1719 WeakPolarHBondContact O-CB 3.33Å; Y1716-I1719 WeakPolarHBondContact O-CD1 3.45Å; Y1716-I1719 VanDerWaalsContact O-CG1 3.27Å; Y1716-I1719 WeakPolarHBondContact O-CG1 3.47Å; Y1716-I1719 PolarHBondContact O-N 3Å; G1717-I1719 VanDerWaalsContact C-N 3.33Å; G1717-I1719 PolarHBondContact O-N 3.05Å; I1719-V1721 VanDerWaalsContact C-N 3.27Å; I1719-V1721 PolarHBondContact O-N 3.2Å; I1719-Y1742 HydrophobicContact CB-CD1 4.39Å; I1719-Y1742 HydrophobicContact CB-CE1 4.28Å; I1719-Y1742 HydrophobicContact CD1-CD1 4.11Å; I1719-Y1742 HydrophobicContact CD1-CE1 3.48Å; I1719-Y1742 VanDerWaalsContact CD1-CE1 3.44Å; I1719-Y1742 HydrophobicContact CG1-CE1 4.35Å; I1719-Y1742 HydrophobicContact CG2-CD1 4.22Å; I1719-Y1742 HydrophobicContact CG2-CE1 3.88Å; I1719-Y1742 HydrophobicContact CG2-CE2 4.36Å; I1719-F1746 HydrophobicContact CD1-CB 4.45Å; I1719-F1746 HydrophobicContact CD1-CD1 3.97Å; I1719-F1746 HydrophobicContact CD1-CD2 4.25Å; I1719-F1746 HydrophobicContact CD1-CE1 4.24Å; I1719-F1746 HydrophobicContact CD1-CG 3.97Å |
| 1720 | F | 46.2 | Very low | 47 | Very low | 22.4 Ų | 22.4 | 73.5 Ų | 73.5 | 10% | 0.098 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -73 | -10.9 | 174.1 | -76.6 | -90.1 | 0 | 0 | 0 | 114.3 | V1436 G1717 R1718 G1722 A1723 L1727 L1738 E1739 Y1742 | V1436-F1720 HydrophobicContact CG2-CD1 4.48Å; V1436-F1720 HydrophobicContact CG2-CE1 4.13Å; G1717-F1720 PolarHBondContact O-N 2.96Å; R1718-F1720 PolarHBondContact O-N 3.25Å; R1718-F1720 VanDerWaalsContact O-N 3.15Å; F1720-G1722 VanDerWaalsContact C-N 3.25Å; F1720-G1722 PolarHBondContact O-N 3.18Å; F1720-G1722 VanDerWaalsContact O-N 3.13Å; F1720-A1723 HydrophobicContact CD1-CB 4.31Å; F1720-A1723 PolarHBondContact O-N 3.03Å; F1720-A1723 VanDerWaalsContact O-O 3.13Å; F1720-L1727 HydrophobicContact CD1-CB 4Å; F1720-L1727 HydrophobicContact CD1-CD1 3.85Å; F1720-L1727 HydrophobicContact CD1-CD2 4.38Å; F1720-L1727 HydrophobicContact CD1-CG 4.37Å; F1720-L1727 HydrophobicContact CE1-CB 4.39Å; F1720-L1727 HydrophobicContact CE1-CD1 4.02Å; F1720-L1727 HydrophobicContact CE1-CD2 4.16Å; F1720-L1727 HydrophobicContact CE1-CG 4.33Å; F1720-L1738 HydrophobicContact CE1-CB 4.35Å; F1720-L1738 HydrophobicContact CZ-CB 4.02Å; F1720-E1739 HydrophobicContact CD1-CG 4.06Å; F1720-E1739 HydrophobicContact CD2-CB 4.5Å; F1720-E1739 HydrophobicContact CD2-CG 3.67Å; F1720-E1739 HydrophobicContact CE1-CG 3.84Å; F1720-E1739 HydrophobicContact CE2-CB 4.2Å; F1720-E1739 HydrophobicContact CE2-CG 3.41Å; F1720-E1739 VanDerWaalsContact CE2-CG 3.42Å; F1720-E1739 HydrophobicContact CG-CG 4.14Å; F1720-E1739 HydrophobicContact CZ-CB 4.33Å; F1720-E1739 HydrophobicContact CZ-CG 4.11Å; F1720-Y1742 AromaticContact CE2-CD2 3.48Å; F1720-Y1742 HydrophobicContact CE2-CD2 3.48Å; F1720-Y1742 VanDerWaalsContact CE2-CD2 3.48Å; F1720-Y1742 HydrophobicContact CE2-CE2 4.26Å; F1720-Y1742 HydrophobicContact CE2-CG 4.12Å; F1720-Y1742 AromaticContact CZ-CD2 3.46Å; F1720-Y1742 HydrophobicContact CZ-CD2 3.46Å; F1720-Y1742 VanDerWaalsContact CZ-CD2 3.46Å; F1720-Y1742 AromaticContact CZ-CE2 3.83Å; F1720-Y1742 HydrophobicContact CZ-CE2 3.83Å; F1720-Y1742 HydrophobicContact CZ-CG 4.49Å |
| 1721 | V | 42 | Very low | 49.2 | Very low | 113.2 Ų | 113.2 | 68.9 Ų | 68.9 | 69% | 0.686 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -70.9 | -18.2 | -175.5 | -179.1 | 0 | 0 | 0 | 0 | 112.4 | R1718 I1719 | R1718-V1721 HydrophobicContact CB-CG2 4.33Å; R1718-V1721 HydrophobicContact CG-CG2 4.41Å; R1718-V1721 VanDerWaalsContact O-CB 3.27Å; R1718-V1721 WeakPolarHBondContact O-CB 3.36Å; R1718-V1721 VanDerWaalsContact O-CG2 3.26Å; R1718-V1721 WeakPolarHBondContact O-CG2 3.25Å; R1718-V1721 PolarHBondContact O-N 3.23Å; R1718-V1721 VanDerWaalsContact O-N 3.08Å; I1719-V1721 VanDerWaalsContact C-N 3.27Å; I1719-V1721 PolarHBondContact O-N 3.2Å |
| 1722 | G | 42.6 | Very low | 51.4 | Low | 62 Ų | 62 | 71.8 Ų | 71.8 | 64% | 0.639 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -103.4 | -7.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F1720 | F1720-G1722 VanDerWaalsContact C-N 3.25Å; F1720-G1722 PolarHBondContact O-N 3.18Å; F1720-G1722 VanDerWaalsContact O-N 3.13Å |
| 1723 | A | 47.8 | Very low | 53.5 | Low | 22.2 Ų | 22.2 | 68.5 Ų | 68.5 | 18% | 0.183 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -89.6 | 129.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V1436 F1720 L1727 | V1436-A1723 HydrophobicContact CG2-CB 4.4Å; F1720-A1723 HydrophobicContact CD1-CB 4.31Å; F1720-A1723 PolarHBondContact O-N 3.03Å; F1720-A1723 VanDerWaalsContact O-O 3.13Å; A1723-L1727 HydrophobicContact CB-CD1 3.52Å; A1723-L1727 VanDerWaalsContact CB-CD1 3.43Å; A1723-L1727 WeakPolarHBondContact O-CD1 3.33Å |
| 1724 | H | 51.6 | Low | 55.7 | Low | 99.4 Ų | 99.4 | 61.6 Ų | 61.6 | 46% | 0.46 | 35% | 0.345 | S | S | . | . | trans | -14.1 | 139.5 | -177.7 | -88.1 | -103.2 | 0 | 0 | 0 | 116.5 | S1434 Q1726 L1727 R1881 | S1434-H1724 VanDerWaalsContact OG-CB 3.3Å; S1434-H1724 WeakPolarHBondContact OG-CB 3.4Å; H1724-Q1726 PolarHBondContact O-N 3.07Å; H1724-Q1726 VanDerWaalsContact O-N 3.07Å; H1724-L1727 WeakPolarHBondContact O-CB 3.46Å; H1724-L1727 PolarHBondContact O-N 3.05Å; H1724-R1881 PolarHBondContact NE2-NH1 2.9Å | ||
| 1725 | Y | 53 | Low | 57.5 | Low | 152.4 Ų | 152.4 | 61.3 Ų | 61.3 | 60% | 0.598 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -47 | -29.9 | 179.3 | 78.2 | -86.7 | 0 | 0 | 0 | 114.2 | E1432 L1727 A1728 T1729 | E1432-Y1725 PolarHBondContact OE2-OH 2.88Å; Y1725-L1727 VanDerWaalsContact C-N 3.29Å; Y1725-L1727 PolarHBondContact O-N 2.7Å; Y1725-A1728 WeakPolarHBondContact O-CA 3.4Å; Y1725-A1728 VanDerWaalsContact O-CB 3.3Å; Y1725-A1728 WeakPolarHBondContact O-CB 3.22Å; Y1725-A1728 PolarHBondContact O-N 3Å; Y1725-A1728 VanDerWaalsContact O-N 3.09Å; Y1725-T1729 HydrophobicContact CD2-CG2 4.11Å; Y1725-T1729 HydrophobicContact CE2-CG2 3.84Å; Y1725-T1729 PolarHBondContact O-N 3.13Å |
| 1726 | Q | 57.5 | Low | 59.4 | Low | 28.6 Ų | 28.6 | 58.8 Ų | 58.8 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.7 | -35.9 | 177.7 | -67.6 | 157.3 | -16.3 | 0 | 0 | 113.6 | E1432 S1434 H1724 A1728 T1729 L1730 | E1432-Q1726 VanDerWaalsContact CD-NE2 3.32Å; E1432-Q1726 VanDerWaalsContact OE2-CD 3.27Å; E1432-Q1726 WeakPolarHBondContact OE2-CG 3.43Å; E1432-Q1726 PolarHBondContact OE2-NE2 3.09Å; S1434-Q1726 WeakPolarHBondContact OG-CB 3.37Å; S1434-Q1726 PolarHBondContact OG-OE1 2.96Å; H1724-Q1726 PolarHBondContact O-N 3.07Å; H1724-Q1726 VanDerWaalsContact O-N 3.07Å; Q1726-A1728 PolarHBondContact O-N 3.17Å; Q1726-T1729 WeakPolarHBondContact CA-OG1 3.29Å; Q1726-T1729 PolarHBondContact O-N 3.09Å; Q1726-T1729 VanDerWaalsContact O-N 3.13Å; Q1726-T1729 PolarHBondContact O-OG1 3.13Å; Q1726-L1730 PolarHBondContact O-N 3.12Å |
| 1727 | L | 64.5 | Low | 61.3 | Low | 3.6 Ų | 3.6 | 57.5 Ų | 57.5 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.8 | -20.6 | 176.9 | -67.4 | 169 | 0 | 0 | 0 | 111.9 | V1436 V1678 F1720 A1723 H1724 Y1725 T1729 L1730 L1738 | V1436-L1727 HydrophobicContact CG2-CD1 3.76Å; V1678-L1727 HydrophobicContact CB-CD2 3.98Å; V1678-L1727 HydrophobicContact CG1-CD2 4.04Å; V1678-L1727 HydrophobicContact CG2-CD2 4.01Å; F1720-L1727 HydrophobicContact CD1-CB 4Å; F1720-L1727 HydrophobicContact CD1-CD1 3.85Å; F1720-L1727 HydrophobicContact CD1-CD2 4.38Å; F1720-L1727 HydrophobicContact CD1-CG 4.37Å; F1720-L1727 HydrophobicContact CE1-CB 4.39Å; F1720-L1727 HydrophobicContact CE1-CD1 4.02Å; F1720-L1727 HydrophobicContact CE1-CD2 4.16Å; F1720-L1727 HydrophobicContact CE1-CG 4.33Å; A1723-L1727 HydrophobicContact CB-CD1 3.52Å; A1723-L1727 VanDerWaalsContact CB-CD1 3.43Å; A1723-L1727 WeakPolarHBondContact O-CD1 3.33Å; H1724-L1727 WeakPolarHBondContact O-CB 3.46Å; H1724-L1727 PolarHBondContact O-N 3.05Å; Y1725-L1727 VanDerWaalsContact C-N 3.29Å; Y1725-L1727 PolarHBondContact O-N 2.7Å; L1727-T1729 VanDerWaalsContact C-N 3.35Å; L1727-L1730 HydrophobicContact CD2-CD1 3.75Å; L1727-L1738 HydrophobicContact CD2-CD1 4.3Å |
| 1728 | A | 62.7 | Low | 63.3 | Low | 73.8 Ų | 73.8 | 56.6 Ų | 56.6 | 61% | 0.61 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -80 | -22.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y1725 Q1726 | Y1725-A1728 WeakPolarHBondContact O-CA 3.4Å; Y1725-A1728 VanDerWaalsContact O-CB 3.3Å; Y1725-A1728 WeakPolarHBondContact O-CB 3.22Å; Y1725-A1728 PolarHBondContact O-N 3Å; Y1725-A1728 VanDerWaalsContact O-N 3.09Å; Q1726-A1728 PolarHBondContact O-N 3.17Å |
| 1729 | T | 66.4 | Low | 65.1 | Low | 58 Ų | 58 | 51.4 Ų | 51.4 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -86.9 | -11.7 | 178 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | Y1624 S1683 Y1725 Q1726 L1727 | Y1624-T1729 PolarHBondContact OH-O 3.25Å; S1683-T1729 PolarHBondContact OG-OG1 2.8Å; Y1725-T1729 HydrophobicContact CD2-CG2 4.11Å; Y1725-T1729 HydrophobicContact CE2-CG2 3.84Å; Y1725-T1729 PolarHBondContact O-N 3.13Å; Q1726-T1729 WeakPolarHBondContact CA-OG1 3.29Å; Q1726-T1729 PolarHBondContact O-N 3.09Å; Q1726-T1729 VanDerWaalsContact O-N 3.13Å; Q1726-T1729 PolarHBondContact O-OG1 3.13Å; L1727-T1729 VanDerWaalsContact C-N 3.35Å |
| 1730 | L | 73.8 | Confident | 66.6 | Low | 13 Ų | 13 | 52.8 Ų | 52.8 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -62.2 | 143.3 | 176.4 | -69.9 | 176.1 | 0 | 0 | 0 | 112.2 | Y1624 V1626 V1678 A1680 Q1726 L1727 L1738 | Y1624-L1730 HydrophobicContact CD1-CD2 3.97Å; Y1624-L1730 HydrophobicContact CE1-CD2 3.6Å; Y1624-L1730 VanDerWaalsContact CE1-CD2 3.48Å; Y1624-L1730 HydrophobicContact CE2-CD2 3.97Å; Y1624-L1730 WeakPolarHBondContact OH-CA 3.33Å; V1626-L1730 HydrophobicContact CG2-CD2 3.98Å; V1678-L1730 HydrophobicContact CG1-CD1 4.23Å; A1680-L1730 HydrophobicContact CB-CD2 4.15Å; Q1726-L1730 PolarHBondContact O-N 3.12Å; L1727-L1730 HydrophobicContact CD2-CD1 3.75Å; L1730-L1738 HydrophobicContact CD1-CD1 3.68Å |
| 1731 | P | 76.7 | Confident | 68.4 | Low | 47.4 Ų | 47.4 | 51.8 Ų | 51.8 | 31% | 0.308 | 30% | 0.296 | S | S | . | . | trans | -59.4 | 148.3 | 173.8 | -19.2 | 29 | 0 | 0 | 0 | 112.2 | Y1624 S1733 Y1734 K1735 | Y1624-P1731 HydrophobicContact CD1-CG 4.35Å; Y1624-P1731 HydrophobicContact CD2-CG 4.35Å; Y1624-P1731 HydrophobicContact CE1-CG 4.17Å; Y1624-P1731 HydrophobicContact CG-CG 3.97Å; Y1624-P1731 VanDerWaalsContact CZ-CD 3.45Å; Y1624-P1731 VanDerWaalsContact OH-CD 3.25Å; Y1624-P1731 WeakPolarHBondContact OH-CD 3.11Å; P1731-S1733 VanDerWaalsContact C-N 3.29Å; P1731-S1733 PolarHBondContact O-N 3.24Å; P1731-S1733 VanDerWaalsContact O-N 3.12Å; P1731-Y1734 HydrophobicContact CB-CD2 4.02Å; P1731-Y1734 HydrophobicContact CG-CD2 4.05Å; P1731-Y1734 HydrophobicContact CG-CE2 4.34Å; P1731-Y1734 PolarHBondContact O-N 3.02Å; P1731-Y1734 VanDerWaalsContact O-N 3.1Å; P1731-K1735 PolarHBondContact O-N 2.98Å | ||
| 1732 | L | 74.3 | Confident | 70.3 | Confident | 138.4 Ų | 138.4 | 46.8 Ų | 46.8 | 73% | 0.725 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -54.7 | -37.4 | -171.9 | -70 | 170.3 | 0 | 0 | 0 | 113.9 | Y1734 K1735 S1736 | L1732-Y1734 PolarHBondContact O-N 3.26Å; L1732-K1735 PolarHBondContact O-N 3.14Å; L1732-S1736 VanDerWaalsContact O-CB 3.27Å; L1732-S1736 WeakPolarHBondContact O-CB 3.41Å; L1732-S1736 PolarHBondContact O-N 3.23Å |
| 1733 | S | 76.6 | Confident | 72 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 179.6 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | P1731 S1736 S1737 | P1731-S1733 VanDerWaalsContact C-N 3.29Å; P1731-S1733 PolarHBondContact O-N 3.24Å; P1731-S1733 VanDerWaalsContact O-N 3.12Å; S1733-S1736 PolarHBondContact O-N 3.34Å; S1733-S1737 WeakPolarHBondContact O-CB 3.36Å; S1733-S1737 PolarHBondContact O-N 3.03Å; S1733-S1737 VanDerWaalsContact O-N 3.12Å; S1733-S1737 PolarHBondContact O-OG 3.2Å |
| 1734 | Y | 81.7 | Confident | 73.6 | Confident | 5.4 Ų | 5.4 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.6 | -42.9 | 175.4 | -68.3 | -87.5 | 0 | 0 | 0 | 111.3 | Y1409 C1521 P1523 T1623 Y1624 V1626 P1731 L1732 S1736 S1737 L1738 | Y1409-Y1734 WeakPolarHBondContact OH-CE1 3.28Å; Y1409-Y1734 PolarHBondContact OH-OH 3.1Å; C1521-Y1734 HydrophobicContact CB-CD1 4.02Å; C1521-Y1734 HydrophobicContact CB-CE1 4.08Å; C1521-Y1734 VanDerWaalsContact SG-CD1 3.57Å; P1523-Y1734 HydrophobicContact CB-CD1 4.48Å; P1523-Y1734 HydrophobicContact CB-CD2 4.49Å; P1523-Y1734 HydrophobicContact CB-CG 4.48Å; P1523-Y1734 HydrophobicContact CG-CD1 4.36Å; P1523-Y1734 HydrophobicContact CG-CD2 4.3Å; P1523-Y1734 HydrophobicContact CG-CE1 3.92Å; P1523-Y1734 HydrophobicContact CG-CE2 4.14Å; P1523-Y1734 HydrophobicContact CG-CG 4.49Å; T1623-Y1734 WeakPolarHBondContact CA-OH 3.47Å; T1623-Y1734 WeakPolarHBondContact CB-OH 3.41Å; T1623-Y1734 HydrophobicContact CG2-CE2 4.46Å; Y1624-Y1734 PolarHBondContact N-OH 3.21Å; Y1624-Y1734 VanDerWaalsContact N-OH 3.07Å; Y1624-Y1734 VanDerWaalsContact O-CE1 3.28Å; Y1624-Y1734 WeakPolarHBondContact O-CE1 3.38Å; Y1624-Y1734 VanDerWaalsContact O-CZ 3.27Å; Y1624-Y1734 PolarHBondContact O-OH 3.07Å; Y1624-Y1734 VanDerWaalsContact O-OH 3.06Å; V1626-Y1734 HydrophobicContact CB-CD1 3.78Å; V1626-Y1734 HydrophobicContact CB-CE1 4.12Å; V1626-Y1734 HydrophobicContact CB-CG 4.36Å; V1626-Y1734 HydrophobicContact CG1-CD1 4.48Å; V1626-Y1734 HydrophobicContact CG2-CD1 3.46Å; V1626-Y1734 VanDerWaalsContact CG2-CD1 3.45Å; V1626-Y1734 HydrophobicContact CG2-CD2 4.19Å; V1626-Y1734 HydrophobicContact CG2-CE1 3.91Å; V1626-Y1734 HydrophobicContact CG2-CG 3.88Å; P1731-Y1734 HydrophobicContact CB-CD2 4.02Å; P1731-Y1734 HydrophobicContact CG-CD2 4.05Å; P1731-Y1734 HydrophobicContact CG-CE2 4.34Å; P1731-Y1734 PolarHBondContact O-N 3.02Å; P1731-Y1734 VanDerWaalsContact O-N 3.1Å; L1732-Y1734 PolarHBondContact O-N 3.26Å; Y1734-S1736 VanDerWaalsContact C-N 3.34Å; Y1734-S1736 PolarHBondContact O-N 3.17Å; Y1734-S1737 WeakPolarHBondContact O-CB 3.33Å; Y1734-S1737 PolarHBondContact O-N 3.16Å; Y1734-L1738 WeakPolarHBondContact O-CG 3.3Å; Y1734-L1738 PolarHBondContact O-N 3.16Å |
| 1735 | K | 78.5 | Confident | 75.1 | Confident | 57.8 Ų | 57.8 | 39.9 Ų | 39.9 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59 | -46.6 | 175.5 | -175.1 | 176.7 | 178.3 | 179.1 | 0 | 111.6 | P1731 L1732 S1737 L1738 E1739 | P1731-K1735 PolarHBondContact O-N 2.98Å; L1732-K1735 PolarHBondContact O-N 3.14Å; K1735-S1737 VanDerWaalsContact C-N 3.32Å; K1735-S1737 PolarHBondContact O-N 3.17Å; K1735-L1738 PolarHBondContact O-N 3.2Å; K1735-E1739 WeakPolarHBondContact CE-OE1 3.41Å; K1735-E1739 HydrophobicContact CG-CG 4.41Å; K1735-E1739 WeakPolarHBondContact CG-OE1 3.44Å; K1735-E1739 IonicContact NZ-OE1 3.29Å; K1735-E1739 WeakPolarHBondContact O-CB 3.2Å; K1735-E1739 WeakPolarHBondContact O-CG 3.33Å; K1735-E1739 PolarHBondContact O-N 3.27Å |
| 1736 | S | 78.6 | Confident | 76.6 | Confident | 40 Ų | 40 | 34.4 Ų | 34.4 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 176 | -178.4 | 0 | 0 | 0 | 0 | 112 | L1732 S1733 Y1734 L1738 E1739 K1740 | L1732-S1736 VanDerWaalsContact O-CB 3.27Å; L1732-S1736 WeakPolarHBondContact O-CB 3.41Å; L1732-S1736 PolarHBondContact O-N 3.23Å; S1733-S1736 PolarHBondContact O-N 3.34Å; Y1734-S1736 VanDerWaalsContact C-N 3.34Å; Y1734-S1736 PolarHBondContact O-N 3.17Å; S1736-L1738 PolarHBondContact O-N 3.03Å; S1736-E1739 PolarHBondContact O-N 3.17Å; S1736-K1740 WeakPolarHBondContact O-CB 3.33Å; S1736-K1740 WeakPolarHBondContact O-CD 3.21Å; S1736-K1740 VanDerWaalsContact O-CG 3.26Å; S1736-K1740 WeakPolarHBondContact O-CG 3.34Å; S1736-K1740 PolarHBondContact O-N 3.18Å; S1736-K1740 WeakPolarHBondContact OG-CE 3.4Å |
| 1737 | S | 82.5 | Confident | 77.7 | Confident | 1.4 Ų | 1.4 | 33.4 Ų | 33.4 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.4 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | H1508 S1733 Y1734 K1735 L1741 | H1508-S1737 PolarHBondContact CD2-O 3.29Å; S1733-S1737 WeakPolarHBondContact O-CB 3.36Å; S1733-S1737 PolarHBondContact O-N 3.03Å; S1733-S1737 VanDerWaalsContact O-N 3.12Å; S1733-S1737 PolarHBondContact O-OG 3.2Å; Y1734-S1737 WeakPolarHBondContact O-CB 3.33Å; Y1734-S1737 PolarHBondContact O-N 3.16Å; K1735-S1737 VanDerWaalsContact C-N 3.32Å; K1735-S1737 PolarHBondContact O-N 3.17Å; S1737-L1741 WeakPolarHBondContact O-CB 3.35Å; S1737-L1741 PolarHBondContact O-N 3.14Å; S1737-L1741 VanDerWaalsContact O-N 3.1Å |
| 1738 | L | 82.7 | Confident | 78.6 | Confident | 5.4 Ų | 5.4 | 33.9 Ų | 33.9 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.9 | -44.3 | 174.1 | -75 | 167.7 | 0 | 0 | 0 | 112.1 | F1509 V1678 F1720 L1727 L1730 Y1734 K1735 S1736 K1740 L1741 Y1742 | F1509-L1738 HydrophobicContact CE1-CD2 4.39Å; F1509-L1738 HydrophobicContact CE2-CD2 4.13Å; F1509-L1738 HydrophobicContact CZ-CD2 3.55Å; F1509-L1738 VanDerWaalsContact CZ-CD2 3.49Å; F1509-L1738 HydrophobicContact CZ-CG 4.16Å; V1678-L1738 HydrophobicContact CG1-CD1 3.98Å; V1678-L1738 HydrophobicContact CG2-CD1 4.07Å; V1678-L1738 HydrophobicContact CG2-CD2 3.75Å; F1720-L1738 HydrophobicContact CE1-CB 4.35Å; F1720-L1738 HydrophobicContact CZ-CB 4.02Å; L1727-L1738 HydrophobicContact CD2-CD1 4.3Å; L1730-L1738 HydrophobicContact CD1-CD1 3.68Å; Y1734-L1738 WeakPolarHBondContact O-CG 3.3Å; Y1734-L1738 PolarHBondContact O-N 3.16Å; K1735-L1738 PolarHBondContact O-N 3.2Å; S1736-L1738 PolarHBondContact O-N 3.03Å; L1738-K1740 VanDerWaalsContact C-N 3.3Å; L1738-K1740 PolarHBondContact O-N 2.83Å; L1738-L1741 WeakPolarHBondContact O-CB 3.4Å; L1738-L1741 PolarHBondContact O-N 3.31Å; L1738-Y1742 HydrophobicContact CB-CD2 4.31Å; L1738-Y1742 HydrophobicContact CB-CE2 4.03Å; L1738-Y1742 HydrophobicContact CD2-CE2 4Å; L1738-Y1742 WeakPolarHBondContact O-CB 3.4Å; L1738-Y1742 WeakPolarHBondContact O-CD2 3.38Å; L1738-Y1742 PolarHBondContact O-N 3.22Å |
| 1739 | E | 79.1 | Confident | 79.7 | Confident | 54 Ų | 54 | 30.4 Ų | 30.4 | 25% | 0.252 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.2 | -78.1 | 173.8 | -179.1 | 0 | 0 | 112 | G1717 F1720 K1735 S1736 S1743 | G1717-E1739 WeakPolarHBondContact CA-OE1 3.49Å; F1720-E1739 HydrophobicContact CD1-CG 4.06Å; F1720-E1739 HydrophobicContact CD2-CB 4.5Å; F1720-E1739 HydrophobicContact CD2-CG 3.67Å; F1720-E1739 HydrophobicContact CE1-CG 3.84Å; F1720-E1739 HydrophobicContact CE2-CB 4.2Å; F1720-E1739 HydrophobicContact CE2-CG 3.41Å; F1720-E1739 VanDerWaalsContact CE2-CG 3.42Å; F1720-E1739 HydrophobicContact CG-CG 4.14Å; F1720-E1739 HydrophobicContact CZ-CB 4.33Å; F1720-E1739 HydrophobicContact CZ-CG 4.11Å; K1735-E1739 WeakPolarHBondContact CE-OE1 3.41Å; K1735-E1739 HydrophobicContact CG-CG 4.41Å; K1735-E1739 WeakPolarHBondContact CG-OE1 3.44Å; K1735-E1739 IonicContact NZ-OE1 3.29Å; K1735-E1739 WeakPolarHBondContact O-CB 3.2Å; K1735-E1739 WeakPolarHBondContact O-CG 3.33Å; K1735-E1739 PolarHBondContact O-N 3.27Å; S1736-E1739 PolarHBondContact O-N 3.17Å; E1739-S1743 VanDerWaalsContact O-CB 3.27Å; E1739-S1743 WeakPolarHBondContact O-CB 3.32Å; E1739-S1743 PolarHBondContact O-N 3.17Å; E1739-S1743 VanDerWaalsContact O-N 3.15Å; E1739-S1743 PolarHBondContact O-OG 3.15Å |
| 1740 | K | 80.6 | Confident | 80.6 | Confident | 73.4 Ų | 73.4 | 29.1 Ų | 29.1 | 32% | 0.319 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.3 | -49.9 | 173.9 | -72 | 171.3 | -169.8 | 174.7 | 0 | 111.3 | H1508 D1524 S1736 L1738 Y1742 S1743 Q1744 | H1508-K1740 VanDerWaalsContact NE2-CB 3.32Å; H1508-K1740 WeakPolarHBondContact NE2-CB 3.37Å; H1508-K1740 WeakPolarHBondContact NE2-CD 3.44Å; D1524-K1740 IonicContact OD2-NZ 3.34Å; D1524-K1740 PolarHBondContact OD2-NZ 3.02Å; S1736-K1740 WeakPolarHBondContact O-CB 3.33Å; S1736-K1740 WeakPolarHBondContact O-CD 3.21Å; S1736-K1740 VanDerWaalsContact O-CG 3.26Å; S1736-K1740 WeakPolarHBondContact O-CG 3.34Å; S1736-K1740 PolarHBondContact O-N 3.18Å; S1736-K1740 WeakPolarHBondContact OG-CE 3.4Å; L1738-K1740 VanDerWaalsContact C-N 3.3Å; L1738-K1740 PolarHBondContact O-N 2.83Å; K1740-Y1742 PolarHBondContact O-N 3.17Å; K1740-S1743 PolarHBondContact O-N 3.02Å; K1740-S1743 PolarHBondContact O-OG 3.31Å; K1740-S1743 VanDerWaalsContact O-OG 3.05Å; K1740-Q1744 VanDerWaalsContact O-CB 3.29Å; K1740-Q1744 WeakPolarHBondContact O-CB 3.3Å; K1740-Q1744 VanDerWaalsContact O-CG 3.25Å; K1740-Q1744 WeakPolarHBondContact O-CG 3.35Å; K1740-Q1744 PolarHBondContact O-N 3.13Å |
| 1741 | L | 84.1 | Confident | 81 | Confident | 2.4 Ų | 2.4 | 28.7 Ų | 28.7 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.7 | -52.2 | 179.2 | 176.9 | 101.9 | 0 | 0 | 0 | 111.3 | V1504 V1505 F1509 L1628 F1676 S1737 L1738 Q1744 A1745 | V1504-L1741 HydrophobicContact CG1-CD1 4.1Å; V1505-L1741 HydrophobicContact CB-CD1 4.41Å; V1505-L1741 HydrophobicContact CG1-CD1 4.45Å; V1505-L1741 HydrophobicContact CG2-CD1 4.28Å; F1509-L1741 HydrophobicContact CD2-CD1 3.59Å; F1509-L1741 VanDerWaalsContact CD2-CD1 3.41Å; F1509-L1741 HydrophobicContact CD2-CD2 4.09Å; F1509-L1741 HydrophobicContact CE2-CB 4.37Å; F1509-L1741 HydrophobicContact CE2-CD1 3.91Å; F1509-L1741 HydrophobicContact CE2-CD2 3.92Å; F1509-L1741 HydrophobicContact CE2-CG 4.49Å; F1509-L1741 HydrophobicContact CG-CD1 4.25Å; L1628-L1741 HydrophobicContact CD2-CD1 4.03Å; L1628-L1741 HydrophobicContact CD2-CD2 3.74Å; F1676-L1741 HydrophobicContact CD1-CD2 3.85Å; F1676-L1741 HydrophobicContact CE1-CD2 3.92Å; F1676-L1741 HydrophobicContact CE1-CG 4.42Å; F1676-L1741 HydrophobicContact CG-CD2 4.29Å; F1676-L1741 HydrophobicContact CZ-CD2 4.27Å; S1737-L1741 WeakPolarHBondContact O-CB 3.35Å; S1737-L1741 PolarHBondContact O-N 3.14Å; S1737-L1741 VanDerWaalsContact O-N 3.1Å; L1738-L1741 WeakPolarHBondContact O-CB 3.4Å; L1738-L1741 PolarHBondContact O-N 3.31Å; L1741-Q1744 PolarHBondContact O-N 2.92Å; L1741-A1745 VanDerWaalsContact O-CB 3.26Å; L1741-A1745 WeakPolarHBondContact O-CB 3.37Å; L1741-A1745 PolarHBondContact O-N 3.33Å |
| 1742 | Y | 82 | Confident | 81.3 | Confident | 8.6 Ų | 8.6 | 26.8 Ų | 26.8 | 3% | 0.034 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | -178.8 | -162.7 | -82.2 | 0 | 0 | 0 | 111.7 | V1436 E1437 I1438 F1676 I1719 F1720 L1738 K1740 Q1744 A1745 F1746 | V1436-Y1742 HydrophobicContact CB-CD1 4.33Å; V1436-Y1742 HydrophobicContact CB-CD2 4.34Å; V1436-Y1742 HydrophobicContact CB-CE1 3.53Å; V1436-Y1742 HydrophobicContact CB-CE2 4.32Å; V1436-Y1742 HydrophobicContact CG1-CD1 3.85Å; V1436-Y1742 HydrophobicContact CG1-CD2 3.5Å; V1436-Y1742 VanDerWaalsContact CG1-CD2 3.45Å; V1436-Y1742 HydrophobicContact CG1-CE1 3.56Å; V1436-Y1742 HydrophobicContact CG1-CE2 3.66Å; V1436-Y1742 VanDerWaalsContact CG1-CE2 3.48Å; V1436-Y1742 HydrophobicContact CG1-CG 4.42Å; V1436-Y1742 HydrophobicContact CG2-CE1 4.19Å; V1436-Y1742 HydrophobicContact CG2-CE2 4.12Å; V1436-Y1742 WeakPolarHBondContact CG2-OH 3.41Å; E1437-Y1742 PolarHBondContact O-OH 2.96Å; I1438-Y1742 HydrophobicContact CD1-CD2 3.95Å; I1438-Y1742 HydrophobicContact CD1-CE1 4.35Å; I1438-Y1742 HydrophobicContact CD1-CE2 3.65Å; I1438-Y1742 HydrophobicContact CG1-CD2 4.02Å; I1438-Y1742 HydrophobicContact CG1-CE1 4.42Å; I1438-Y1742 HydrophobicContact CG1-CE2 3.27Å; I1438-Y1742 VanDerWaalsContact CG1-CZ 3.48Å; I1438-Y1742 WeakPolarHBondContact CG1-OH 3.46Å; F1676-Y1742 HydrophobicContact CB-CE1 3.48Å; F1676-Y1742 VanDerWaalsContact CB-CE1 3.48Å; F1676-Y1742 WeakPolarHBondContact CB-OH 3.29Å; F1676-Y1742 AromaticContact CD1-CE1 3.98Å; F1676-Y1742 HydrophobicContact CD1-CE1 3.98Å; F1676-Y1742 HydrophobicContact CD2-CD1 4.29Å; F1676-Y1742 HydrophobicContact CD2-CD2 4.39Å; F1676-Y1742 AromaticContact CD2-CE1 3.71Å; F1676-Y1742 HydrophobicContact CD2-CE1 3.71Å; F1676-Y1742 HydrophobicContact CE2-CE1 4.39Å; F1676-Y1742 HydrophobicContact CG-CD1 4.34Å; F1676-Y1742 AromaticContact CG-CE1 3.47Å; F1676-Y1742 HydrophobicContact CG-CE1 3.47Å; F1676-Y1742 VanDerWaalsContact CG-CE1 3.47Å; I1719-Y1742 HydrophobicContact CB-CD1 4.39Å; I1719-Y1742 HydrophobicContact CB-CE1 4.28Å; I1719-Y1742 HydrophobicContact CD1-CD1 4.11Å; I1719-Y1742 HydrophobicContact CD1-CE1 3.48Å; I1719-Y1742 VanDerWaalsContact CD1-CE1 3.44Å; I1719-Y1742 HydrophobicContact CG1-CE1 4.35Å; I1719-Y1742 HydrophobicContact CG2-CD1 4.22Å; I1719-Y1742 HydrophobicContact CG2-CE1 3.88Å; I1719-Y1742 HydrophobicContact CG2-CE2 4.36Å; F1720-Y1742 AromaticContact CE2-CD2 3.48Å; F1720-Y1742 HydrophobicContact CE2-CD2 3.48Å; F1720-Y1742 VanDerWaalsContact CE2-CD2 3.48Å; F1720-Y1742 HydrophobicContact CE2-CE2 4.26Å; F1720-Y1742 HydrophobicContact CE2-CG 4.12Å; F1720-Y1742 AromaticContact CZ-CD2 3.46Å; F1720-Y1742 HydrophobicContact CZ-CD2 3.46Å; F1720-Y1742 VanDerWaalsContact CZ-CD2 3.46Å; F1720-Y1742 AromaticContact CZ-CE2 3.83Å; F1720-Y1742 HydrophobicContact CZ-CE2 3.83Å; F1720-Y1742 HydrophobicContact CZ-CG 4.49Å; L1738-Y1742 HydrophobicContact CB-CD2 4.31Å; L1738-Y1742 HydrophobicContact CB-CE2 4.03Å; L1738-Y1742 HydrophobicContact CD2-CE2 4Å; L1738-Y1742 WeakPolarHBondContact O-CB 3.4Å; L1738-Y1742 WeakPolarHBondContact O-CD2 3.38Å; L1738-Y1742 PolarHBondContact O-N 3.22Å; K1740-Y1742 PolarHBondContact O-N 3.17Å; Y1742-Q1744 VanDerWaalsContact C-N 3.34Å; Y1742-Q1744 PolarHBondContact O-N 3.13Å; Y1742-A1745 PolarHBondContact O-N 3.05Å; Y1742-F1746 HydrophobicContact CE1-CB 4.34Å; Y1742-F1746 HydrophobicContact CE1-CD2 4.36Å; Y1742-F1746 VanDerWaalsContact O-CB 3.29Å; Y1742-F1746 WeakPolarHBondContact O-CB 3.33Å; Y1742-F1746 PolarHBondContact O-N 3.22Å |
| 1743 | S | 77.6 | Confident | 81.8 | Confident | 15 Ų | 15 | 20.3 Ų | 20.3 | 11% | 0.105 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | -179.6 | -45.1 | 0 | 0 | 0 | 0 | 111.8 | Y1716 E1739 K1740 F1746 I1747 | Y1716-S1743 WeakPolarHBondContact CB-OG 3.49Å; Y1716-S1743 WeakPolarHBondContact CD1-OG 3.25Å; E1739-S1743 VanDerWaalsContact O-CB 3.27Å; E1739-S1743 WeakPolarHBondContact O-CB 3.32Å; E1739-S1743 PolarHBondContact O-N 3.17Å; E1739-S1743 VanDerWaalsContact O-N 3.15Å; E1739-S1743 PolarHBondContact O-OG 3.15Å; K1740-S1743 PolarHBondContact O-N 3.02Å; K1740-S1743 PolarHBondContact O-OG 3.31Å; K1740-S1743 VanDerWaalsContact O-OG 3.05Å; S1743-F1746 PolarHBondContact O-N 2.64Å; S1743-I1747 VanDerWaalsContact O-CB 3.31Å; S1743-I1747 WeakPolarHBondContact O-CB 3.39Å; S1743-I1747 WeakPolarHBondContact O-CD1 3.42Å; S1743-I1747 VanDerWaalsContact O-CG1 3.24Å; S1743-I1747 WeakPolarHBondContact O-CG1 3.33Å; S1743-I1747 PolarHBondContact O-N 3.16Å |
| 1744 | Q | 81.1 | Confident | 82.2 | Confident | 23 Ų | 23 | 18.7 Ų | 18.7 | 11% | 0.107 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.8 | -45.5 | 177 | -71.5 | 177.9 | -0.8 | 0 | 0 | 111.8 | V1504 Q1507 K1740 L1741 Y1742 F1746 I1747 L1748 I1783 | V1504-Q1744 HydrophobicContact CB-CB 4.47Å; V1504-Q1744 HydrophobicContact CG1-CB 3.65Å; V1504-Q1744 HydrophobicContact CG2-CB 4.02Å; Q1507-Q1744 VanDerWaalsContact OE1-OE1 3.04Å; K1740-Q1744 VanDerWaalsContact O-CB 3.29Å; K1740-Q1744 WeakPolarHBondContact O-CB 3.3Å; K1740-Q1744 VanDerWaalsContact O-CG 3.25Å; K1740-Q1744 WeakPolarHBondContact O-CG 3.35Å; K1740-Q1744 PolarHBondContact O-N 3.13Å; L1741-Q1744 PolarHBondContact O-N 2.92Å; Y1742-Q1744 VanDerWaalsContact C-N 3.34Å; Y1742-Q1744 PolarHBondContact O-N 3.13Å; Q1744-F1746 VanDerWaalsContact C-N 3.33Å; Q1744-F1746 PolarHBondContact O-N 3.16Å; Q1744-I1747 PolarHBondContact O-N 3.22Å; Q1744-L1748 WeakPolarHBondContact O-CB 3.35Å; Q1744-L1748 VanDerWaalsContact O-CG 3.26Å; Q1744-L1748 WeakPolarHBondContact O-CG 3.35Å; Q1744-L1748 PolarHBondContact O-N 3.06Å; Q1744-I1783 HydrophobicContact CB-CD1 4.31Å; Q1744-I1783 HydrophobicContact CB-CG1 3.95Å; Q1744-I1783 HydrophobicContact CG-CD1 4.12Å; Q1744-I1783 HydrophobicContact CG-CG1 4.06Å; Q1744-I1783 HydrophobicContact CG-CG2 4.29Å |
| 1745 | A | 83.8 | Confident | 82.3 | Confident | 0.6 Ų | 0.6 | 18.6 Ų | 18.6 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1438 F1501 F1676 L1741 Y1742 L1748 V1749 | I1438-A1745 HydrophobicContact CD1-CB 4.24Å; F1501-A1745 HydrophobicContact CD2-CB 4.43Å; F1501-A1745 HydrophobicContact CE2-CB 4.06Å; F1676-A1745 HydrophobicContact CZ-CB 4.11Å; L1741-A1745 VanDerWaalsContact O-CB 3.26Å; L1741-A1745 WeakPolarHBondContact O-CB 3.37Å; L1741-A1745 PolarHBondContact O-N 3.33Å; Y1742-A1745 PolarHBondContact O-N 3.05Å; A1745-L1748 PolarHBondContact O-N 2.92Å; A1745-V1749 VanDerWaalsContact O-CG2 3.3Å; A1745-V1749 WeakPolarHBondContact O-CG2 3.35Å; A1745-V1749 PolarHBondContact O-N 3.09Å |
| 1746 | F | 83.3 | Confident | 82.4 | Confident | 37.2 Ų | 37.2 | 16.3 Ų | 16.3 | 16% | 0.163 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 176.8 | -174.6 | -92.1 | 0 | 0 | 0 | 112.1 | I1438 Y1716 I1719 Y1742 S1743 Q1744 L1748 V1749 R1750 F1886 | I1438-F1746 HydrophobicContact CD1-CB 4.36Å; I1438-F1746 HydrophobicContact CG2-CD2 4.14Å; I1438-F1746 HydrophobicContact CG2-CE2 4.47Å; Y1716-F1746 AromaticContact CD1-CD1 3.75Å; Y1716-F1746 HydrophobicContact CD1-CD1 3.96Å; Y1716-F1746 AromaticContact CD1-CE1 3.71Å; Y1716-F1746 HydrophobicContact CD1-CE1 3.71Å; Y1716-F1746 HydrophobicContact CD1-CZ 4.49Å; Y1716-F1746 AromaticContact CE1-CD1 3.84Å; Y1716-F1746 HydrophobicContact CE1-CD1 3.91Å; Y1716-F1746 AromaticContact CE1-CE1 3.55Å; Y1716-F1746 HydrophobicContact CE1-CE1 3.7Å; Y1716-F1746 HydrophobicContact CE1-CZ 4.14Å; I1719-F1746 HydrophobicContact CD1-CB 4.45Å; I1719-F1746 HydrophobicContact CD1-CD1 3.97Å; I1719-F1746 HydrophobicContact CD1-CD2 4.25Å; I1719-F1746 HydrophobicContact CD1-CE1 4.24Å; I1719-F1746 HydrophobicContact CD1-CG 3.97Å; Y1742-F1746 HydrophobicContact CE1-CB 4.34Å; Y1742-F1746 HydrophobicContact CE1-CD2 4.36Å; Y1742-F1746 VanDerWaalsContact O-CB 3.29Å; Y1742-F1746 WeakPolarHBondContact O-CB 3.33Å; Y1742-F1746 PolarHBondContact O-N 3.22Å; S1743-F1746 PolarHBondContact O-N 2.64Å; Q1744-F1746 VanDerWaalsContact C-N 3.33Å; Q1744-F1746 PolarHBondContact O-N 3.16Å; F1746-L1748 VanDerWaalsContact C-N 3.34Å; F1746-L1748 PolarHBondContact O-N 3.13Å; F1746-V1749 PolarHBondContact O-N 3.19Å; F1746-R1750 HydrophobicContact CE1-CB 4.5Å; F1746-R1750 VanDerWaalsContact O-CB 3.29Å; F1746-R1750 WeakPolarHBondContact O-CB 3.31Å; F1746-R1750 PolarHBondContact O-N 3.17Å; F1746-F1886 HydrophobicContact CD1-CE1 4.1Å; F1746-F1886 AromaticContact CD2-CE1 3.64Å; F1746-F1886 HydrophobicContact CD2-CE1 3.64Å; F1746-F1886 AromaticContact CD2-CZ 3.87Å; F1746-F1886 HydrophobicContact CD2-CZ 3.9Å; F1746-F1886 HydrophobicContact CE1-CD1 4.17Å; F1746-F1886 AromaticContact CE1-CE1 3.71Å; F1746-F1886 HydrophobicContact CE1-CE1 4.19Å; F1746-F1886 AromaticContact CE2-CD1 3.92Å; F1746-F1886 HydrophobicContact CE2-CD1 3.92Å; F1746-F1886 AromaticContact CE2-CE1 3.31Å; F1746-F1886 HydrophobicContact CE2-CE1 3.31Å; F1746-F1886 VanDerWaalsContact CE2-CE1 3.4Å; F1746-F1886 HydrophobicContact CE2-CE2 4.41Å; F1746-F1886 AromaticContact CE2-CZ 3.79Å; F1746-F1886 HydrophobicContact CE2-CZ 3.85Å; F1746-F1886 HydrophobicContact CG-CE1 4.22Å; F1746-F1886 HydrophobicContact CG-CZ 4.36Å; F1746-F1886 AromaticContact CZ-CD1 3.76Å; F1746-F1886 HydrophobicContact CZ-CD1 3.91Å; F1746-F1886 AromaticContact CZ-CE1 3.61Å; F1746-F1886 HydrophobicContact CZ-CE1 3.61Å; F1746-F1886 HydrophobicContact CZ-CZ 4.1Å |
| 1747 | I | 81.4 | Confident | 82.5 | Confident | 7.4 Ų | 7.4 | 14.8 Ų | 14.8 | 4% | 0.038 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.7 | -71.3 | 166.7 | 0 | 0 | 0 | 111 | Y1716 S1743 Q1744 R1750 N1751 H1774 I1778 H1781 I1783 L1787 | Y1716-I1747 HydrophobicContact CD2-CD1 3.97Å; Y1716-I1747 HydrophobicContact CD2-CG1 4.03Å; Y1716-I1747 HydrophobicContact CE2-CD1 4.34Å; Y1716-I1747 HydrophobicContact CE2-CG1 4.09Å; S1743-I1747 VanDerWaalsContact O-CB 3.31Å; S1743-I1747 WeakPolarHBondContact O-CB 3.39Å; S1743-I1747 WeakPolarHBondContact O-CD1 3.42Å; S1743-I1747 VanDerWaalsContact O-CG1 3.24Å; S1743-I1747 WeakPolarHBondContact O-CG1 3.33Å; S1743-I1747 PolarHBondContact O-N 3.16Å; Q1744-I1747 PolarHBondContact O-N 3.22Å; I1747-R1750 PolarHBondContact O-N 3.08Å; I1747-N1751 WeakPolarHBondContact CG2-ND2 3.37Å; I1747-N1751 VanDerWaalsContact O-CB 3.31Å; I1747-N1751 WeakPolarHBondContact O-CB 3.33Å; I1747-N1751 PolarHBondContact O-N 3.19Å; I1747-N1751 PolarHBondContact O-ND2 3.11Å; I1747-N1751 VanDerWaalsContact O-ND2 3.15Å; I1747-H1774 PolarHBondContact O-CE1 3.32Å; I1747-I1778 HydrophobicContact CG2-CD1 4.05Å; I1747-I1778 HydrophobicContact CG2-CG1 4.22Å; I1747-H1781 HydrophobicContact CD1-CB 3.92Å; I1747-H1781 VanDerWaalsContact CD1-CB 3.45Å; I1747-I1783 HydrophobicContact CB-CD1 4.17Å; I1747-I1783 HydrophobicContact CD1-CD1 3.7Å; I1747-I1783 VanDerWaalsContact CD1-CD1 3.49Å; I1747-I1783 HydrophobicContact CG2-CD1 3.93Å; I1747-L1787 HydrophobicContact CG2-CD1 3.7Å; I1747-L1787 VanDerWaalsContact CG2-CD1 3.45Å |
| 1748 | L | 83.8 | Confident | 82.3 | Confident | 13 Ų | 13 | 17 Ų | 17 | 7% | 0.068 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.2 | -48.3 | 175.4 | -77.3 | 179 | 0 | 0 | 0 | 112.2 | L1500 V1504 Q1744 A1745 F1746 R1750 N1751 E1752 I1783 L1787 | L1500-L1748 HydrophobicContact CB-CD1 4.16Å; L1500-L1748 HydrophobicContact CB-CD2 4.01Å; L1500-L1748 HydrophobicContact CD1-CD2 3.95Å; L1500-L1748 HydrophobicContact CD2-CD2 3.32Å; L1500-L1748 VanDerWaalsContact CD2-CD2 3.43Å; L1500-L1748 HydrophobicContact CG-CD1 3.99Å; L1500-L1748 HydrophobicContact CG-CD2 3.83Å; L1500-L1748 HydrophobicContact CG-CG 4.45Å; V1504-L1748 HydrophobicContact CB-CD1 4.16Å; V1504-L1748 HydrophobicContact CG2-CD1 3.53Å; V1504-L1748 VanDerWaalsContact CG2-CD1 3.48Å; V1504-L1748 HydrophobicContact CG2-CG 4.46Å; Q1744-L1748 WeakPolarHBondContact O-CB 3.35Å; Q1744-L1748 VanDerWaalsContact O-CG 3.26Å; Q1744-L1748 WeakPolarHBondContact O-CG 3.35Å; Q1744-L1748 PolarHBondContact O-N 3.06Å; A1745-L1748 PolarHBondContact O-N 2.92Å; F1746-L1748 VanDerWaalsContact C-N 3.34Å; F1746-L1748 PolarHBondContact O-N 3.13Å; L1748-R1750 VanDerWaalsContact C-N 3.34Å; L1748-R1750 PolarHBondContact O-N 2.81Å; L1748-N1751 WeakPolarHBondContact O-CB 3.33Å; L1748-N1751 PolarHBondContact O-N 3.18Å; L1748-E1752 VanDerWaalsContact O-CG 3.32Å; L1748-E1752 WeakPolarHBondContact O-CG 3.19Å; L1748-E1752 PolarHBondContact O-N 3.21Å; L1748-E1752 VanDerWaalsContact O-N 3.17Å; L1748-I1783 HydrophobicContact CD2-CD1 4.45Å; L1748-I1783 HydrophobicContact CG-CD1 4.25Å; L1748-L1787 HydrophobicContact CD2-CD1 4.12Å |
| 1749 | V | 84.8 | Confident | 81.8 | Confident | 1.6 Ų | 1.6 | 20.1 Ų | 20.1 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.2 | -46.4 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | I1440 F1443 L1648 A1745 F1746 N1751 E1752 I1753 F1886 | I1440-V1749 HydrophobicContact CG2-CG1 4.23Å; I1440-V1749 HydrophobicContact CG2-CG2 4.28Å; F1443-V1749 HydrophobicContact CB-CG1 3.61Å; F1443-V1749 VanDerWaalsContact CB-CG1 3.49Å; F1443-V1749 HydrophobicContact CD1-CG1 4.49Å; F1443-V1749 HydrophobicContact CD2-CB 4.27Å; F1443-V1749 HydrophobicContact CD2-CG1 3.9Å; F1443-V1749 HydrophobicContact CD2-CG2 4.4Å; F1443-V1749 WeakPolarHBondContact CD2-O 3.35Å; F1443-V1749 HydrophobicContact CE2-CG1 4.42Å; F1443-V1749 HydrophobicContact CG-CG1 3.84Å; L1648-V1749 HydrophobicContact CD1-CG2 4.25Å; L1648-V1749 HydrophobicContact CD2-CG2 4.1Å; A1745-V1749 VanDerWaalsContact O-CG2 3.3Å; A1745-V1749 WeakPolarHBondContact O-CG2 3.35Å; A1745-V1749 PolarHBondContact O-N 3.09Å; F1746-V1749 PolarHBondContact O-N 3.19Å; V1749-N1751 VanDerWaalsContact C-N 3.3Å; V1749-N1751 PolarHBondContact O-N 3.48Å; V1749-E1752 PolarHBondContact O-N 3.08Å; V1749-I1753 HydrophobicContact CG1-CD1 4.25Å; V1749-I1753 WeakPolarHBondContact O-CG1 3.35Å; V1749-I1753 PolarHBondContact O-N 3.22Å; V1749-F1886 HydrophobicContact CB-CE1 4.28Å; V1749-F1886 HydrophobicContact CB-CE2 4.45Å; V1749-F1886 HydrophobicContact CB-CZ 3.86Å; V1749-F1886 HydrophobicContact CG1-CD2 4.38Å; V1749-F1886 HydrophobicContact CG1-CE1 4.08Å; V1749-F1886 HydrophobicContact CG1-CE2 3.55Å; V1749-F1886 VanDerWaalsContact CG1-CE2 3.48Å; V1749-F1886 HydrophobicContact CG1-CZ 3.35Å; V1749-F1886 VanDerWaalsContact CG1-CZ 3.43Å |
| 1750 | R | 84.4 | Confident | 81.3 | Confident | 30 Ų | 30 | 19 Ų | 19 | 11% | 0.113 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.3 | -39.6 | 179.5 | -168 | 158.7 | 177.3 | 132.2 | -1.8 | 112.7 | E1442 F1746 I1747 L1748 E1752 I1753 I1754 Y1757 T1770 H1774 F1886 E1888 | E1442-R1750 IonicContact OE1-NH1 2.7Å; E1442-R1750 IonicContact OE2-CZ 3.02Å; E1442-R1750 IonicContact OE2-NH1 3.17Å; E1442-R1750 PolarHBondContact OE2-NH1 3.42Å; E1442-R1750 IonicContact OE2-NH2 3.92Å; F1746-R1750 HydrophobicContact CE1-CB 4.5Å; F1746-R1750 VanDerWaalsContact O-CB 3.29Å; F1746-R1750 WeakPolarHBondContact O-CB 3.31Å; F1746-R1750 PolarHBondContact O-N 3.17Å; I1747-R1750 PolarHBondContact O-N 3.08Å; L1748-R1750 VanDerWaalsContact C-N 3.34Å; L1748-R1750 PolarHBondContact O-N 2.81Å; R1750-E1752 VanDerWaalsContact C-N 3.3Å; R1750-E1752 PolarHBondContact O-N 3.13Å; R1750-I1753 WeakPolarHBondContact O-CB 3.4Å; R1750-I1753 PolarHBondContact O-N 2.98Å; R1750-I1753 VanDerWaalsContact O-N 3.12Å; R1750-I1754 HydrophobicContact CG-CD1 4.31Å; R1750-I1754 HydrophobicContact CG-CG1 4.31Å; R1750-I1754 VanDerWaalsContact O-CG1 3.28Å; R1750-I1754 WeakPolarHBondContact O-CG1 3.47Å; R1750-I1754 PolarHBondContact O-N 3.23Å; R1750-I1754 VanDerWaalsContact O-N 3.11Å; R1750-Y1757 PolarHBondContact NH2-OH 2.97Å; R1750-T1770 VanDerWaalsContact NH2-CG2 3.25Å; R1750-H1774 WeakPolarHBondContact CD-ND1 3.42Å; R1750-H1774 PolarHBondContact NE-ND1 3.37Å; R1750-H1774 VanDerWaalsContact NE-ND1 3.16Å; R1750-F1886 HydrophobicContact CB-CD1 4.21Å; R1750-F1886 HydrophobicContact CB-CE1 4.08Å; R1750-F1886 HydrophobicContact CG-CD1 4.23Å; R1750-F1886 HydrophobicContact CG-CE1 4.47Å; R1750-E1888 IonicContact CZ-OE1 3.06Å; R1750-E1888 VanDerWaalsContact CZ-OE1 3.24Å; R1750-E1888 IonicContact CZ-OE2 2.72Å; R1750-E1888 IonicContact NH1-OE1 3.49Å; R1750-E1888 PolarHBondContact NH1-OE1 3.13Å; R1750-E1888 VanDerWaalsContact NH1-OE1 3.14Å; R1750-E1888 IonicContact NH1-OE2 3.89Å; R1750-E1888 IonicContact NH2-OE1 3.03Å; R1750-E1888 PolarHBondContact NH2-OE1 3.07Å; R1750-E1888 IonicContact NH2-OE2 3.3Å; R1750-E1888 PolarHBondContact NH2-OE2 3.23Å |
| 1751 | N | 83.8 | Confident | 80.5 | Confident | 3.8 Ų | 3.8 | 19.3 Ų | 19.3 | 2% | 0.02 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.6 | -45 | 175.5 | -95.1 | -19 | 0 | 0 | 0 | 111.7 | I1747 L1748 V1749 I1753 I1754 F1755 H1774 I1778 L1787 Q1998 | I1747-N1751 WeakPolarHBondContact CG2-ND2 3.37Å; I1747-N1751 VanDerWaalsContact O-CB 3.31Å; I1747-N1751 WeakPolarHBondContact O-CB 3.33Å; I1747-N1751 PolarHBondContact O-N 3.19Å; I1747-N1751 PolarHBondContact O-ND2 3.11Å; I1747-N1751 VanDerWaalsContact O-ND2 3.15Å; L1748-N1751 WeakPolarHBondContact O-CB 3.33Å; L1748-N1751 PolarHBondContact O-N 3.18Å; V1749-N1751 VanDerWaalsContact C-N 3.3Å; V1749-N1751 PolarHBondContact O-N 3.48Å; N1751-I1753 VanDerWaalsContact C-N 3.33Å; N1751-I1753 PolarHBondContact O-N 3.13Å; N1751-I1754 CarbonylContact O-C 3.52Å; N1751-I1754 WeakPolarHBondContact O-CB 3.46Å; N1751-I1754 PolarHBondContact O-N 2.95Å; N1751-I1754 VanDerWaalsContact O-N 3.13Å; N1751-F1755 HydrophobicContact CB-CE2 4.49Å; N1751-F1755 WeakPolarHBondContact O-CD2 3.44Å; N1751-F1755 PolarHBondContact O-N 3.02Å; N1751-F1755 VanDerWaalsContact O-N 3.08Å; N1751-H1774 WeakPolarHBondContact CA-NE2 3.34Å; N1751-H1774 PolarHBondContact OD1-CE1 3.22Å; N1751-H1774 PolarHBondContact OD1-NE2 3.3Å; N1751-I1778 WeakPolarHBondContact OD1-CD1 3.32Å; N1751-L1787 WeakPolarHBondContact ND2-CD1 3.3Å; N1751-L1787 WeakPolarHBondContact ND2-CD2 3.33Å; N1751-Q1998 PolarHBondContact OD1-NE2 2.95Å |
| 1752 | E | 83.3 | Confident | 79.8 | Confident | 7.6 Ų | 7.6 | 22.8 Ų | 22.8 | 4% | 0.036 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.9 | -37.1 | -178.9 | -71 | -65 | 147.1 | 0 | 0 | 112.8 | F1443 L1447 T1497 L1748 V1749 R1750 I1754 F1755 A1756 R2000 | F1443-E1752 HydrophobicContact CD2-CB 3.9Å; F1443-E1752 HydrophobicContact CD2-CG 4.4Å; F1443-E1752 HydrophobicContact CE2-CB 3.62Å; F1443-E1752 VanDerWaalsContact CE2-CB 3.48Å; F1443-E1752 HydrophobicContact CE2-CG 3.96Å; L1447-E1752 HydrophobicContact CD1-CB 3.8Å; L1447-E1752 VanDerWaalsContact CD1-CB 3.47Å; L1447-E1752 HydrophobicContact CD1-CG 3.62Å; L1447-E1752 HydrophobicContact CD2-CB 4.49Å; T1497-E1752 HydrophobicContact CG2-CG 3.74Å; T1497-E1752 VanDerWaalsContact OG1-CD 3.32Å; T1497-E1752 PolarHBondContact OG1-OE1 3.27Å; T1497-E1752 PolarHBondContact OG1-OE2 3.18Å; L1748-E1752 VanDerWaalsContact O-CG 3.32Å; L1748-E1752 WeakPolarHBondContact O-CG 3.19Å; L1748-E1752 PolarHBondContact O-N 3.21Å; L1748-E1752 VanDerWaalsContact O-N 3.17Å; V1749-E1752 PolarHBondContact O-N 3.08Å; R1750-E1752 VanDerWaalsContact C-N 3.3Å; R1750-E1752 PolarHBondContact O-N 3.13Å; E1752-I1754 VanDerWaalsContact C-N 3.32Å; E1752-I1754 PolarHBondContact O-N 2.88Å; E1752-F1755 PolarHBondContact O-N 2.91Å; E1752-A1756 VanDerWaalsContact O-CB 3.3Å; E1752-A1756 WeakPolarHBondContact O-CB 3.41Å; E1752-A1756 PolarHBondContact O-N 3.18Å; E1752-R2000 VanDerWaalsContact CD-NH2 3.29Å; E1752-R2000 IonicContact OE1-CZ 3.64Å; E1752-R2000 VanDerWaalsContact OE1-CZ 3.24Å; E1752-R2000 IonicContact OE1-NE 3.2Å; E1752-R2000 PolarHBondContact OE1-NE 3.17Å; E1752-R2000 IonicContact OE1-NH1 2.79Å; E1752-R2000 PolarHBondContact OE1-NH1 2.98Å; E1752-R2000 IonicContact OE1-NH2 3.37Å; E1752-R2000 PolarHBondContact OE1-NH2 3.27Å; E1752-R2000 VanDerWaalsContact OE1-NH2 3.09Å; E1752-R2000 IonicContact OE2-CZ 3.44Å; E1752-R2000 VanDerWaalsContact OE2-CZ 3.3Å; E1752-R2000 IonicContact OE2-NE 3.32Å; E1752-R2000 IonicContact OE2-NH1 3Å; E1752-R2000 PolarHBondContact OE2-NH1 2.88Å; E1752-R2000 IonicContact OE2-NH2 3.01Å; E1752-R2000 PolarHBondContact OE2-NH2 3.13Å |
| 1753 | I | 83.5 | Confident | 79.6 | Confident | 3.2 Ų | 3.2 | 23.9 Ų | 23.9 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.9 | -46.4 | 170.8 | -65.7 | 168.3 | 0 | 0 | 0 | 110.1 | E1442 F1443 T1446 V1749 R1750 N1751 F1755 A1756 Y1757 F1886 | E1442-I1753 HydrophobicContact CB-CD1 4.11Å; E1442-I1753 HydrophobicContact CG-CD1 4.01Å; E1442-I1753 HydrophobicContact CG-CG1 4.32Å; E1442-I1753 HydrophobicContact CG-CG2 4.14Å; E1442-I1753 WeakPolarHBondContact OE1-CG2 3.26Å; F1443-I1753 HydrophobicContact CB-CD1 4.06Å; F1443-I1753 HydrophobicContact CB-CG1 4.05Å; F1443-I1753 HydrophobicContact CD2-CG1 4.49Å; T1446-I1753 HydrophobicContact CG2-CG2 4.46Å; V1749-I1753 HydrophobicContact CG1-CD1 4.25Å; V1749-I1753 WeakPolarHBondContact O-CG1 3.35Å; V1749-I1753 PolarHBondContact O-N 3.22Å; R1750-I1753 WeakPolarHBondContact O-CB 3.4Å; R1750-I1753 PolarHBondContact O-N 2.98Å; R1750-I1753 VanDerWaalsContact O-N 3.12Å; N1751-I1753 VanDerWaalsContact C-N 3.33Å; N1751-I1753 PolarHBondContact O-N 3.13Å; I1753-F1755 PolarHBondContact O-N 3.12Å; I1753-A1756 CarbonylContact O-C 3.42Å; I1753-A1756 WeakPolarHBondContact O-CA 3.28Å; I1753-A1756 VanDerWaalsContact O-CB 3.24Å; I1753-A1756 WeakPolarHBondContact O-CB 3.36Å; I1753-A1756 PolarHBondContact O-N 3.22Å; I1753-A1756 VanDerWaalsContact O-N 3.07Å; I1753-Y1757 HydrophobicContact CG2-CD1 4.25Å; I1753-Y1757 HydrophobicContact CG2-CE1 3.47Å; I1753-Y1757 VanDerWaalsContact CG2-CE1 3.44Å; I1753-Y1757 HydrophobicContact CG2-CE2 4.16Å; I1753-Y1757 VanDerWaalsContact CG2-CZ 3.45Å; I1753-Y1757 VanDerWaalsContact CG2-OH 3.31Å; I1753-Y1757 WeakPolarHBondContact CG2-OH 3.23Å; I1753-Y1757 VanDerWaalsContact O-CD1 3.32Å; I1753-Y1757 WeakPolarHBondContact O-CD1 3.41Å; I1753-Y1757 PolarHBondContact O-N 3.19Å; I1753-Y1757 VanDerWaalsContact O-N 3.08Å; I1753-F1886 HydrophobicContact CD1-CB 3.9Å; I1753-F1886 HydrophobicContact CD1-CD1 4.14Å; I1753-F1886 HydrophobicContact CD1-CD2 3.96Å; I1753-F1886 HydrophobicContact CD1-CE2 4.43Å; I1753-F1886 HydrophobicContact CD1-CG 3.74Å |
| 1754 | I | 85.6 | Confident | 79.7 | Confident | 1.4 Ų | 1.4 | 25.8 Ų | 25.8 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | -179.5 | -71.3 | -91.7 | 0 | 0 | 0 | 112.1 | R1750 N1751 E1752 A1756 Y1757 T1770 V1771 H1774 W1983 | R1750-I1754 HydrophobicContact CG-CD1 4.31Å; R1750-I1754 HydrophobicContact CG-CG1 4.31Å; R1750-I1754 VanDerWaalsContact O-CG1 3.28Å; R1750-I1754 WeakPolarHBondContact O-CG1 3.47Å; R1750-I1754 PolarHBondContact O-N 3.23Å; R1750-I1754 VanDerWaalsContact O-N 3.11Å; N1751-I1754 CarbonylContact O-C 3.52Å; N1751-I1754 WeakPolarHBondContact O-CB 3.46Å; N1751-I1754 PolarHBondContact O-N 2.95Å; N1751-I1754 VanDerWaalsContact O-N 3.13Å; E1752-I1754 VanDerWaalsContact C-N 3.32Å; E1752-I1754 PolarHBondContact O-N 2.88Å; I1754-A1756 VanDerWaalsContact C-N 3.3Å; I1754-A1756 PolarHBondContact O-N 3.12Å; I1754-Y1757 HydrophobicContact CD1-CD2 4Å; I1754-Y1757 HydrophobicContact CD1-CE2 3.93Å; I1754-Y1757 HydrophobicContact CG1-CD2 3.78Å; I1754-Y1757 HydrophobicContact CG1-CE2 3.77Å; I1754-Y1757 WeakPolarHBondContact O-CB 3.31Å; I1754-Y1757 PolarHBondContact O-N 3.19Å; I1754-T1770 HydrophobicContact CD1-CG2 4.33Å; I1754-V1771 HydrophobicContact CD1-CG2 4.14Å; I1754-V1771 HydrophobicContact CG1-CG2 4.19Å; I1754-V1771 HydrophobicContact CG2-CB 4.44Å; I1754-V1771 HydrophobicContact CG2-CG1 4.06Å; I1754-V1771 HydrophobicContact CG2-CG2 4.06Å; I1754-H1774 HydrophobicContact CD1-CB 3.78Å; I1754-H1774 WeakPolarHBondContact CD1-CD2 3.49Å; I1754-H1774 HydrophobicContact CG1-CB 4.23Å; I1754-W1983 PolarHBondContact O-NE1 3.11Å |
| 1755 | F | 83.8 | Confident | 79.7 | Confident | 3.6 Ų | 3.6 | 27.6 Ų | 27.6 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.9 | -31.1 | 171.6 | -75.4 | -63.5 | 0 | 0 | 0 | 112.4 | N1751 E1752 I1753 Y1757 K1758 R1759 D1981 Q1998 E1999 R2000 | N1751-F1755 HydrophobicContact CB-CE2 4.49Å; N1751-F1755 WeakPolarHBondContact O-CD2 3.44Å; N1751-F1755 PolarHBondContact O-N 3.02Å; N1751-F1755 VanDerWaalsContact O-N 3.08Å; E1752-F1755 PolarHBondContact O-N 2.91Å; I1753-F1755 PolarHBondContact O-N 3.12Å; F1755-Y1757 VanDerWaalsContact C-N 3.3Å; F1755-Y1757 PolarHBondContact O-N 3.25Å; F1755-K1758 WeakPolarHBondContact O-CB 3.32Å; F1755-K1758 PolarHBondContact O-N 3.09Å; F1755-R1759 PolarHBondContact O-NH1 3.14Å; F1755-R1759 PolarHBondContact O-NH2 3.37Å; F1755-D1981 HydrophobicContact CD1-CB 3.88Å; F1755-D1981 HydrophobicContact CE1-CB 4.1Å; F1755-D1981 VanDerWaalsContact CE1-O 3.29Å; F1755-D1981 WeakPolarHBondContact CE1-O 3.34Å; F1755-Q1998 HydrophobicContact CE1-CG 4.46Å; F1755-Q1998 HydrophobicContact CZ-CG 3.9Å; F1755-E1999 VanDerWaalsContact CZ-C 3.5Å; F1755-R2000 HydrophobicContact CD2-CB 4.39Å; F1755-R2000 HydrophobicContact CD2-CG 4.19Å; F1755-R2000 HydrophobicContact CE1-CB 4.26Å; F1755-R2000 HydrophobicContact CE2-CB 3.92Å; F1755-R2000 HydrophobicContact CE2-CG 4.25Å; F1755-R2000 HydrophobicContact CZ-CB 3.81Å; F1755-R2000 HydrophobicContact CZ-CG 4.35Å; F1755-R2000 VanDerWaalsContact CZ-N 3.34Å |
| 1756 | A | 79.4 | Confident | 79.6 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 8% | 0.083 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.7 | -31.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1446 L1447 E1752 I1753 I1754 K1758 R1759 | T1446-A1756 HydrophobicContact CG2-CB 4.12Å; L1447-A1756 HydrophobicContact CD2-CB 4.48Å; E1752-A1756 VanDerWaalsContact O-CB 3.3Å; E1752-A1756 WeakPolarHBondContact O-CB 3.41Å; E1752-A1756 PolarHBondContact O-N 3.18Å; I1753-A1756 CarbonylContact O-C 3.42Å; I1753-A1756 WeakPolarHBondContact O-CA 3.28Å; I1753-A1756 VanDerWaalsContact O-CB 3.24Å; I1753-A1756 WeakPolarHBondContact O-CB 3.36Å; I1753-A1756 PolarHBondContact O-N 3.22Å; I1753-A1756 VanDerWaalsContact O-N 3.07Å; I1754-A1756 VanDerWaalsContact C-N 3.3Å; I1754-A1756 PolarHBondContact O-N 3.12Å; A1756-K1758 PolarHBondContact O-N 3.05Å; A1756-K1758 VanDerWaalsContact O-N 3.17Å; A1756-R1759 WeakPolarHBondContact O-CB 3.2Å; A1756-R1759 PolarHBondContact O-N 3.01Å; A1756-R1759 VanDerWaalsContact O-N 3.08Å |
| 1757 | Y | 81.8 | Confident | 79.6 | Confident | 8.4 Ų | 8.4 | 27.5 Ų | 27.5 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.9 | -28.4 | 176 | -68.1 | -14 | 0 | 0 | 0 | 113.7 | E1442 R1750 I1753 I1754 F1755 R1759 L1760 I1767 T1770 V1771 I1889 | E1442-Y1757 VanDerWaalsContact OE1-CE1 3.31Å; E1442-Y1757 WeakPolarHBondContact OE1-CE1 3.33Å; E1442-Y1757 PolarHBondContact OE1-OH 3.2Å; R1750-Y1757 PolarHBondContact NH2-OH 2.97Å; I1753-Y1757 HydrophobicContact CG2-CD1 4.25Å; I1753-Y1757 HydrophobicContact CG2-CE1 3.47Å; I1753-Y1757 VanDerWaalsContact CG2-CE1 3.44Å; I1753-Y1757 HydrophobicContact CG2-CE2 4.16Å; I1753-Y1757 VanDerWaalsContact CG2-CZ 3.45Å; I1753-Y1757 VanDerWaalsContact CG2-OH 3.31Å; I1753-Y1757 WeakPolarHBondContact CG2-OH 3.23Å; I1753-Y1757 VanDerWaalsContact O-CD1 3.32Å; I1753-Y1757 WeakPolarHBondContact O-CD1 3.41Å; I1753-Y1757 PolarHBondContact O-N 3.19Å; I1753-Y1757 VanDerWaalsContact O-N 3.08Å; I1754-Y1757 HydrophobicContact CD1-CD2 4Å; I1754-Y1757 HydrophobicContact CD1-CE2 3.93Å; I1754-Y1757 HydrophobicContact CG1-CD2 3.78Å; I1754-Y1757 HydrophobicContact CG1-CE2 3.77Å; I1754-Y1757 WeakPolarHBondContact O-CB 3.31Å; I1754-Y1757 PolarHBondContact O-N 3.19Å; F1755-Y1757 VanDerWaalsContact C-N 3.3Å; F1755-Y1757 PolarHBondContact O-N 3.25Å; Y1757-R1759 PolarHBondContact O-N 2.96Å; Y1757-R1759 VanDerWaalsContact O-N 3.12Å; Y1757-L1760 HydrophobicContact CD1-CD1 3.96Å; Y1757-L1760 HydrophobicContact CG-CD1 4.31Å; Y1757-L1760 VanDerWaalsContact O-CB 3.31Å; Y1757-L1760 WeakPolarHBondContact O-CB 3.33Å; Y1757-L1760 VanDerWaalsContact O-CG 3.3Å; Y1757-L1760 WeakPolarHBondContact O-CG 3.32Å; Y1757-L1760 PolarHBondContact O-N 3.08Å; Y1757-L1760 VanDerWaalsContact O-N 3.12Å; Y1757-I1767 HydrophobicContact CD2-CG2 3.99Å; Y1757-I1767 HydrophobicContact CG-CG2 4.22Å; Y1757-T1770 HydrophobicContact CE2-CG2 4.26Å; Y1757-V1771 HydrophobicContact CD2-CG2 4.35Å; Y1757-I1889 HydrophobicContact CD2-CD1 4.4Å; Y1757-I1889 HydrophobicContact CE1-CD1 3.95Å; Y1757-I1889 HydrophobicContact CE2-CD1 3.78Å; Y1757-I1889 HydrophobicContact CE2-CG1 4.47Å; Y1757-I1889 VanDerWaalsContact CZ-CD1 3.47Å; Y1757-I1889 VanDerWaalsContact OH-CD1 3.23Å; Y1757-I1889 WeakPolarHBondContact OH-CD1 3.29Å |
| 1758 | K | 78.4 | Confident | 79.8 | Confident | 47.8 Ų | 47.8 | 27.2 Ų | 27.2 | 21% | 0.208 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.1 | 176.3 | -166.6 | 174.6 | 179.2 | -179.4 | 0 | 112.8 | F1755 A1756 L1760 S1980 F1982 W1983 | F1755-K1758 WeakPolarHBondContact O-CB 3.32Å; F1755-K1758 PolarHBondContact O-N 3.09Å; A1756-K1758 PolarHBondContact O-N 3.05Å; A1756-K1758 VanDerWaalsContact O-N 3.17Å; K1758-L1760 VanDerWaalsContact C-N 3.33Å; K1758-S1980 WeakPolarHBondContact CE-O 3.35Å; K1758-S1980 PolarHBondContact NZ-O 3.05Å; K1758-F1982 WeakPolarHBondContact CD-O 3.33Å; K1758-F1982 WeakPolarHBondContact CE-O 3.26Å; K1758-F1982 PolarHBondContact NZ-O 3.05Å; K1758-W1983 VanDerWaalsContact CA-CZ2 3.49Å; K1758-W1983 HydrophobicContact CB-CH2 4.09Å; K1758-W1983 HydrophobicContact CB-CZ2 3.56Å; K1758-W1983 HydrophobicContact CG-CH2 4.35Å; K1758-W1983 HydrophobicContact CG-CZ2 4.21Å; K1758-W1983 VanDerWaalsContact N-CZ2 3.33Å |
| 1759 | R | 71.7 | Confident | 79.9 | Confident | 70.6 Ų | 70.6 | 31.5 Ų | 31.5 | 27% | 0.266 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 4.1 | -178 | -52.4 | -179.9 | -170.4 | 110.8 | 12.8 | 112.7 | R1493 F1755 A1756 Y1757 D1981 | R1493-R1759 VanDerWaalsContact CZ-CZ 3.45Å; R1493-R1759 VanDerWaalsContact CZ-NH2 3.35Å; R1493-R1759 VanDerWaalsContact NE-NH2 3.14Å; F1755-R1759 PolarHBondContact O-NH1 3.14Å; F1755-R1759 PolarHBondContact O-NH2 3.37Å; A1756-R1759 WeakPolarHBondContact O-CB 3.2Å; A1756-R1759 PolarHBondContact O-N 3.01Å; A1756-R1759 VanDerWaalsContact O-N 3.08Å; Y1757-R1759 PolarHBondContact O-N 2.96Å; Y1757-R1759 VanDerWaalsContact O-N 3.12Å; R1759-D1981 IonicContact CZ-OD1 3.43Å; R1759-D1981 IonicContact CZ-OD2 3.07Å; R1759-D1981 IonicContact NE-OD1 3.2Å; R1759-D1981 IonicContact NH1-OD2 2.89Å; R1759-D1981 VanDerWaalsContact NH2-CG 3.3Å; R1759-D1981 IonicContact NH2-OD1 3.44Å; R1759-D1981 PolarHBondContact NH2-OD1 2.92Å; R1759-D1981 IonicContact NH2-OD2 3.32Å; R1759-D1981 PolarHBondContact NH2-OD2 2.96Å |
| 1760 | L | 69.8 | Low | 79.8 | Confident | 30.8 Ų | 30.8 | 32.4 Ų | 32.4 | 16% | 0.161 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -70.9 | 143.1 | 172.2 | -65 | 172.9 | 0 | 0 | 0 | 109.6 | Y1757 K1758 T1762 I1767 R1897 L1901 | Y1757-L1760 HydrophobicContact CD1-CD1 3.96Å; Y1757-L1760 HydrophobicContact CG-CD1 4.31Å; Y1757-L1760 VanDerWaalsContact O-CB 3.31Å; Y1757-L1760 WeakPolarHBondContact O-CB 3.33Å; Y1757-L1760 VanDerWaalsContact O-CG 3.3Å; Y1757-L1760 WeakPolarHBondContact O-CG 3.32Å; Y1757-L1760 PolarHBondContact O-N 3.08Å; Y1757-L1760 VanDerWaalsContact O-N 3.12Å; K1758-L1760 VanDerWaalsContact C-N 3.33Å; L1760-T1762 PolarHBondContact O-N 3.2Å; L1760-I1767 HydrophobicContact CD1-CD1 3.65Å; L1760-I1767 HydrophobicContact CD1-CG1 4.48Å; L1760-R1897 HydrophobicContact CD1-CG 4.13Å; L1760-R1897 HydrophobicContact CD2-CB 3.52Å; L1760-R1897 HydrophobicContact CD2-CG 3.59Å; L1760-R1897 VanDerWaalsContact CD2-CG 3.49Å; L1760-R1897 HydrophobicContact CG-CG 4.31Å; L1760-L1901 HydrophobicContact CD2-CD1 4.43Å; L1760-L1901 HydrophobicContact CD2-CD2 4.1Å; L1760-L1901 HydrophobicContact CD2-CG 4.32Å |
| 1761 | P | 63.7 | Low | 80 | Confident | 79 Ų | 79 | 31 Ų | 31 | 51% | 0.513 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -64.3 | -27.7 | -177.8 | 16.7 | -22.8 | 0 | 0 | 0 | 112.8 | M1900 L1901 | P1761-M1900 HydrophobicContact CB-CE 3.61Å; P1761-M1900 HydrophobicContact CB-SD 4.1Å; P1761-M1900 HydrophobicContact CG-CB 3.79Å; P1761-M1900 HydrophobicContact CG-CE 3.52Å; P1761-M1900 HydrophobicContact CG-CG 4.46Å; P1761-M1900 WeakPolarHBondContact CG-O 3.38Å; P1761-M1900 HydrophobicContact CG-SD 3.76Å; P1761-L1901 HydrophobicContact CG-CD2 4.42Å |
| 1762 | T | 69.6 | Low | 80.1 | Confident | 75.4 Ų | 75.4 | 30.9 Ų | 30.9 | 46% | 0.463 | 17% | 0.171 | S | C | . | . | trans | -132.1 | 128.6 | 175 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | L1760 M1900 | L1760-T1762 PolarHBondContact O-N 3.2Å; T1762-M1900 HydrophobicContact CG2-CE 3.52Å; T1762-M1900 WeakPolarHBondContact OG1-CE 3.2Å | ||
| 1763 | I | 77.6 | Confident | 80.1 | Confident | 32.8 Ų | 32.8 | 32.7 Ų | 32.7 | 17% | 0.168 | 18% | 0.183 | C | C | . | . | trans | -101.3 | 110.7 | 172.1 | -60.1 | 168 | 0 | 0 | 0 | 106.5 | I1767 I1768 F1826 I1832 W1983 | I1763-I1767 HydrophobicContact CG2-CB 4.36Å; I1763-I1767 HydrophobicContact CG2-CG2 4.09Å; I1763-I1768 HydrophobicContact CG2-CD1 4.19Å; I1763-I1768 HydrophobicContact CG2-CG1 3.74Å; I1763-F1826 HydrophobicContact CB-CD1 4.22Å; I1763-F1826 HydrophobicContact CB-CE1 3.94Å; I1763-F1826 HydrophobicContact CD1-CE1 4.31Å; I1763-F1826 HydrophobicContact CD1-CZ 4.39Å; I1763-F1826 HydrophobicContact CG1-CE1 4.5Å; I1763-F1826 HydrophobicContact CG2-CD1 4.44Å; I1763-I1832 HydrophobicContact CG2-CD1 4.38Å; I1763-W1983 HydrophobicContact CD1-CH2 3.93Å; I1763-W1983 HydrophobicContact CD1-CZ3 4.23Å; I1763-W1983 HydrophobicContact CG1-CH2 4.48Å; I1763-W1983 HydrophobicContact CG2-CH2 4.42Å | ||
| 1764 | D | 79.6 | Confident | 80.2 | Confident | 55 Ų | 55 | 32.7 Ų | 32.7 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | trans | -90.6 | 175.4 | 175.2 | 68 | 19.9 | 0 | 0 | 0 | 111.7 | G1766 I1767 I1768 L1893 | D1764-G1766 VanDerWaalsContact C-N 3.27Å; D1764-G1766 PolarHBondContact O-N 2.96Å; D1764-G1766 VanDerWaalsContact OD1-CA 3.32Å; D1764-G1766 WeakPolarHBondContact OD1-CA 3.47Å; D1764-G1766 PolarHBondContact OD1-N 3.07Å; D1764-G1766 VanDerWaalsContact OD1-N 3.13Å; D1764-G1766 PolarHBondContact OD2-N 2.77Å; D1764-I1767 PolarHBondContact O-N 3.29Å; D1764-I1767 VanDerWaalsContact OD1-CB 3.23Å; D1764-I1767 WeakPolarHBondContact OD1-CB 3.22Å; D1764-I1767 WeakPolarHBondContact OD1-CD1 3.19Å; D1764-I1767 VanDerWaalsContact OD1-CG1 3.29Å; D1764-I1767 WeakPolarHBondContact OD1-CG1 3.28Å; D1764-I1767 PolarHBondContact OD1-N 3.27Å; D1764-I1768 WeakPolarHBondContact O-CG1 3.37Å; D1764-I1768 PolarHBondContact O-N 3.24Å; D1764-L1893 WeakPolarHBondContact OD2-CD1 3.33Å; D1764-L1893 VanDerWaalsContact OD2-CD2 3.31Å; D1764-L1893 WeakPolarHBondContact OD2-CD2 3.41Å | ||
| 1765 | V | 81.3 | Confident | 80.1 | Confident | 60 Ų | 60 | 32.6 Ų | 32.6 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.2 | -33.7 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | I1767 I1768 E1769 Y1830 | V1765-I1767 PolarHBondContact O-N 3.38Å; V1765-I1768 WeakPolarHBondContact O-CB 3.44Å; V1765-I1768 PolarHBondContact O-N 3.35Å; V1765-E1769 HydrophobicContact CG1-CG 4.3Å; V1765-E1769 WeakPolarHBondContact O-CB 3.35Å; V1765-E1769 WeakPolarHBondContact O-CG 3.4Å; V1765-E1769 PolarHBondContact O-N 3.07Å; V1765-Y1830 HydrophobicContact CG1-CD2 4.4Å; V1765-Y1830 HydrophobicContact CG1-CE2 4.2Å |
| 1766 | G | 81.4 | Confident | 80.1 | Confident | 26 Ų | 26 | 36.4 Ų | 36.4 | 27% | 0.268 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1764 I1768 E1769 T1770 | D1764-G1766 VanDerWaalsContact C-N 3.27Å; D1764-G1766 PolarHBondContact O-N 2.96Å; D1764-G1766 VanDerWaalsContact OD1-CA 3.32Å; D1764-G1766 WeakPolarHBondContact OD1-CA 3.47Å; D1764-G1766 PolarHBondContact OD1-N 3.07Å; D1764-G1766 VanDerWaalsContact OD1-N 3.13Å; D1764-G1766 PolarHBondContact OD2-N 2.77Å; G1766-I1768 VanDerWaalsContact C-N 3.32Å; G1766-I1768 PolarHBondContact O-N 3.12Å; G1766-E1769 PolarHBondContact O-N 3.24Å; G1766-T1770 VanDerWaalsContact O-CB 3.31Å; G1766-T1770 WeakPolarHBondContact O-CB 3.25Å; G1766-T1770 PolarHBondContact O-N 3.26Å; G1766-T1770 PolarHBondContact O-OG1 2.97Å |
| 1767 | I | 83.5 | Confident | 79.9 | Confident | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 173.1 | -68.6 | 161.9 | 0 | 0 | 0 | 110.3 | Y1757 L1760 I1763 D1764 V1765 E1769 T1770 V1771 I1889 | Y1757-I1767 HydrophobicContact CD2-CG2 3.99Å; Y1757-I1767 HydrophobicContact CG-CG2 4.22Å; L1760-I1767 HydrophobicContact CD1-CD1 3.65Å; L1760-I1767 HydrophobicContact CD1-CG1 4.48Å; I1763-I1767 HydrophobicContact CG2-CB 4.36Å; I1763-I1767 HydrophobicContact CG2-CG2 4.09Å; D1764-I1767 PolarHBondContact O-N 3.29Å; D1764-I1767 VanDerWaalsContact OD1-CB 3.23Å; D1764-I1767 WeakPolarHBondContact OD1-CB 3.22Å; D1764-I1767 WeakPolarHBondContact OD1-CD1 3.19Å; D1764-I1767 VanDerWaalsContact OD1-CG1 3.29Å; D1764-I1767 WeakPolarHBondContact OD1-CG1 3.28Å; D1764-I1767 PolarHBondContact OD1-N 3.27Å; V1765-I1767 PolarHBondContact O-N 3.38Å; I1767-E1769 VanDerWaalsContact C-N 3.34Å; I1767-E1769 PolarHBondContact O-N 3.01Å; I1767-T1770 WeakPolarHBondContact O-CB 3.38Å; I1767-T1770 PolarHBondContact O-N 3.02Å; I1767-T1770 VanDerWaalsContact O-N 3.15Å; I1767-V1771 HydrophobicContact CG2-CG2 4.33Å; I1767-V1771 VanDerWaalsContact O-CG2 3.25Å; I1767-V1771 WeakPolarHBondContact O-CG2 3.4Å; I1767-V1771 PolarHBondContact O-N 3.22Å; I1767-I1889 HydrophobicContact CG1-CD1 4.3Å |
| 1768 | I | 84.6 | Confident | 79.6 | Confident | 0.2 Ų | 0.2 | 36.9 Ų | 36.9 | 0% | 0.001 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 179.2 | -64.8 | 168.3 | 0 | 0 | 0 | 110.7 | I1763 D1764 V1765 G1766 T1770 V1771 V1772 F1826 Y1830 I1832 I1985 | I1763-I1768 HydrophobicContact CG2-CD1 4.19Å; I1763-I1768 HydrophobicContact CG2-CG1 3.74Å; D1764-I1768 WeakPolarHBondContact O-CG1 3.37Å; D1764-I1768 PolarHBondContact O-N 3.24Å; V1765-I1768 WeakPolarHBondContact O-CB 3.44Å; V1765-I1768 PolarHBondContact O-N 3.35Å; G1766-I1768 VanDerWaalsContact C-N 3.32Å; G1766-I1768 PolarHBondContact O-N 3.12Å; I1768-T1770 VanDerWaalsContact C-N 3.33Å; I1768-T1770 PolarHBondContact O-N 2.91Å; I1768-V1771 PolarHBondContact O-N 3.18Å; I1768-V1772 HydrophobicContact CG2-CG2 4.29Å; I1768-V1772 VanDerWaalsContact O-CB 3.32Å; I1768-V1772 WeakPolarHBondContact O-CB 3.4Å; I1768-V1772 VanDerWaalsContact O-CG2 3.28Å; I1768-V1772 WeakPolarHBondContact O-CG2 3.29Å; I1768-V1772 PolarHBondContact O-N 3.26Å; I1768-F1826 HydrophobicContact CD1-CB 3.79Å; I1768-F1826 HydrophobicContact CD1-CG 4.38Å; I1768-Y1830 HydrophobicContact CG2-CD1 3.72Å; I1768-Y1830 HydrophobicContact CG2-CD2 4.01Å; I1768-Y1830 HydrophobicContact CG2-CE1 3.98Å; I1768-Y1830 HydrophobicContact CG2-CE2 4.31Å; I1768-Y1830 HydrophobicContact CG2-CG 3.74Å; I1768-I1832 HydrophobicContact CD1-CD1 3.81Å; I1768-I1832 HydrophobicContact CG1-CD1 3.9Å; I1768-I1985 HydrophobicContact CG2-CD1 4.44Å; I1768-I1985 HydrophobicContact CG2-CG2 4.13Å |
| 1769 | E | 85.6 | Confident | 79.1 | Confident | 103.6 Ų | 103.6 | 36.9 Ų | 36.9 | 48% | 0.484 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.3 | -38.6 | 178.1 | -72.2 | -178.9 | 165.8 | 0 | 0 | 112.1 | V1765 G1766 I1767 V1771 V1772 S1773 Y1830 | V1765-E1769 HydrophobicContact CG1-CG 4.3Å; V1765-E1769 WeakPolarHBondContact O-CB 3.35Å; V1765-E1769 WeakPolarHBondContact O-CG 3.4Å; V1765-E1769 PolarHBondContact O-N 3.07Å; G1766-E1769 PolarHBondContact O-N 3.24Å; I1767-E1769 VanDerWaalsContact C-N 3.34Å; I1767-E1769 PolarHBondContact O-N 3.01Å; E1769-V1771 PolarHBondContact O-N 3.14Å; E1769-V1772 PolarHBondContact O-N 3.3Å; E1769-S1773 VanDerWaalsContact O-CB 3.26Å; E1769-S1773 WeakPolarHBondContact O-CB 3.2Å; E1769-S1773 PolarHBondContact O-N 3.24Å; E1769-Y1830 HydrophobicContact CG-CE2 4.41Å |
| 1770 | T | 84.2 | Confident | 78.9 | Confident | 21.8 Ų | 21.8 | 39.9 Ų | 39.9 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 173.7 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | R1750 I1754 Y1757 G1766 I1767 I1768 S1773 H1774 E1888 I1889 | R1750-T1770 VanDerWaalsContact NH2-CG2 3.25Å; I1754-T1770 HydrophobicContact CD1-CG2 4.33Å; Y1757-T1770 HydrophobicContact CE2-CG2 4.26Å; G1766-T1770 VanDerWaalsContact O-CB 3.31Å; G1766-T1770 WeakPolarHBondContact O-CB 3.25Å; G1766-T1770 PolarHBondContact O-N 3.26Å; G1766-T1770 PolarHBondContact O-OG1 2.97Å; I1767-T1770 WeakPolarHBondContact O-CB 3.38Å; I1767-T1770 PolarHBondContact O-N 3.02Å; I1767-T1770 VanDerWaalsContact O-N 3.15Å; I1768-T1770 VanDerWaalsContact C-N 3.33Å; I1768-T1770 PolarHBondContact O-N 2.91Å; T1770-S1773 PolarHBondContact O-N 3.27Å; T1770-H1774 VanDerWaalsContact O-CB 3.25Å; T1770-H1774 WeakPolarHBondContact O-CB 3.28Å; T1770-H1774 PolarHBondContact O-N 3.07Å; T1770-E1888 HydrophobicContact CG2-CB 4.37Å; T1770-I1889 HydrophobicContact CG2-CG1 4.5Å |
| 1771 | V | 87.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -46.9 | 176.7 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | I1754 Y1757 I1767 I1768 E1769 S1773 H1774 I1775 W1983 I1985 | I1754-V1771 HydrophobicContact CD1-CG2 4.14Å; I1754-V1771 HydrophobicContact CG1-CG2 4.19Å; I1754-V1771 HydrophobicContact CG2-CB 4.44Å; I1754-V1771 HydrophobicContact CG2-CG1 4.06Å; I1754-V1771 HydrophobicContact CG2-CG2 4.06Å; Y1757-V1771 HydrophobicContact CD2-CG2 4.35Å; I1767-V1771 HydrophobicContact CG2-CG2 4.33Å; I1767-V1771 VanDerWaalsContact O-CG2 3.25Å; I1767-V1771 WeakPolarHBondContact O-CG2 3.4Å; I1767-V1771 PolarHBondContact O-N 3.22Å; I1768-V1771 PolarHBondContact O-N 3.18Å; E1769-V1771 PolarHBondContact O-N 3.14Å; V1771-S1773 VanDerWaalsContact C-N 3.34Å; V1771-S1773 PolarHBondContact O-N 2.91Å; V1771-H1774 WeakPolarHBondContact O-CB 3.42Å; V1771-H1774 PolarHBondContact O-N 3.26Å; V1771-H1774 VanDerWaalsContact O-N 3.17Å; V1771-I1775 HydrophobicContact CG1-CD1 3.81Å; V1771-I1775 HydrophobicContact CG1-CG1 4.38Å; V1771-I1775 VanDerWaalsContact O-CG1 3.29Å; V1771-I1775 WeakPolarHBondContact O-CG1 3.37Å; V1771-I1775 PolarHBondContact O-N 3.26Å; V1771-W1983 HydrophobicContact CG1-CB 4.34Å; V1771-W1983 HydrophobicContact CG1-CD2 3.98Å; V1771-W1983 HydrophobicContact CG1-CE3 4.42Å; V1771-W1983 HydrophobicContact CG1-CG 3.95Å; V1771-W1983 HydrophobicContact CG2-CH2 4.39Å; V1771-W1983 HydrophobicContact CG2-CZ2 4.04Å; V1771-I1985 HydrophobicContact CB-CD1 4.16Å; V1771-I1985 HydrophobicContact CG1-CD1 3.69Å |
| 1772 | V | 86.6 | Confident | 77.7 | Confident | 2.6 Ų | 2.6 | 42.7 Ų | 42.7 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 178.8 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | I1768 E1769 H1774 I1775 R1776 Y1830 I1985 F1996 | I1768-V1772 HydrophobicContact CG2-CG2 4.29Å; I1768-V1772 VanDerWaalsContact O-CB 3.32Å; I1768-V1772 WeakPolarHBondContact O-CB 3.4Å; I1768-V1772 VanDerWaalsContact O-CG2 3.28Å; I1768-V1772 WeakPolarHBondContact O-CG2 3.29Å; I1768-V1772 PolarHBondContact O-N 3.26Å; E1769-V1772 PolarHBondContact O-N 3.3Å; V1772-H1774 VanDerWaalsContact C-N 3.33Å; V1772-H1774 PolarHBondContact O-N 3.04Å; V1772-I1775 PolarHBondContact O-N 2.91Å; V1772-R1776 VanDerWaalsContact CG1-CZ 3.43Å; V1772-R1776 VanDerWaalsContact CG1-NH2 3.31Å; V1772-R1776 VanDerWaalsContact O-CB 3.3Å; V1772-R1776 WeakPolarHBondContact O-CB 3.22Å; V1772-R1776 WeakPolarHBondContact O-CG 3.41Å; V1772-R1776 PolarHBondContact O-N 3.24Å; V1772-R1776 VanDerWaalsContact O-N 3.12Å; V1772-Y1830 HydrophobicContact CG2-CE1 4.43Å; V1772-I1985 HydrophobicContact CG2-CD1 4.06Å; V1772-I1985 HydrophobicContact CG2-CG2 4.15Å; V1772-F1996 HydrophobicContact CG1-CD1 4.07Å; V1772-F1996 HydrophobicContact CG1-CD2 3.96Å; V1772-F1996 HydrophobicContact CG1-CE1 3.84Å; V1772-F1996 HydrophobicContact CG1-CE2 3.72Å; V1772-F1996 HydrophobicContact CG1-CG 4.14Å; V1772-F1996 HydrophobicContact CG1-CZ 3.68Å; V1772-F1996 HydrophobicContact CG2-CD2 3.93Å; V1772-F1996 HydrophobicContact CG2-CE2 4.38Å; V1772-F1996 HydrophobicContact CG2-CG 4.19Å |
| 1773 | S | 83.8 | Confident | 77 | Confident | 43.6 Ų | 43.6 | 41 Ų | 41 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | E1769 T1770 V1771 I1775 R1776 S1777 | E1769-S1773 VanDerWaalsContact O-CB 3.26Å; E1769-S1773 WeakPolarHBondContact O-CB 3.2Å; E1769-S1773 PolarHBondContact O-N 3.24Å; T1770-S1773 PolarHBondContact O-N 3.27Å; V1771-S1773 VanDerWaalsContact C-N 3.34Å; V1771-S1773 PolarHBondContact O-N 2.91Å; S1773-I1775 PolarHBondContact O-N 3.4Å; S1773-R1776 CarbonylContact O-C 3.49Å; S1773-R1776 WeakPolarHBondContact O-CB 3.46Å; S1773-R1776 PolarHBondContact O-N 2.99Å; S1773-S1777 PolarHBondContact O-N 3.1Å; S1773-S1777 PolarHBondContact O-OG 2.79Å |
| 1774 | H | 84.4 | Confident | 75.4 | Confident | 3.4 Ų | 3.4 | 41.9 Ų | 41.9 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -47.4 | 177.5 | 177.8 | 73 | 0 | 0 | 0 | 113.1 | Y1716 I1747 R1750 N1751 I1754 T1770 V1771 V1772 R1776 S1777 I1778 | Y1716-H1774 PolarHBondContact OH-ND1 3.1Å; I1747-H1774 PolarHBondContact O-CE1 3.32Å; R1750-H1774 WeakPolarHBondContact CD-ND1 3.42Å; R1750-H1774 PolarHBondContact NE-ND1 3.37Å; R1750-H1774 VanDerWaalsContact NE-ND1 3.16Å; N1751-H1774 WeakPolarHBondContact CA-NE2 3.34Å; N1751-H1774 PolarHBondContact OD1-CE1 3.22Å; N1751-H1774 PolarHBondContact OD1-NE2 3.3Å; I1754-H1774 HydrophobicContact CD1-CB 3.78Å; I1754-H1774 WeakPolarHBondContact CD1-CD2 3.49Å; I1754-H1774 HydrophobicContact CG1-CB 4.23Å; T1770-H1774 VanDerWaalsContact O-CB 3.25Å; T1770-H1774 WeakPolarHBondContact O-CB 3.28Å; T1770-H1774 PolarHBondContact O-N 3.07Å; V1771-H1774 WeakPolarHBondContact O-CB 3.42Å; V1771-H1774 PolarHBondContact O-N 3.26Å; V1771-H1774 VanDerWaalsContact O-N 3.17Å; V1772-H1774 VanDerWaalsContact C-N 3.33Å; V1772-H1774 PolarHBondContact O-N 3.04Å; H1774-R1776 VanDerWaalsContact C-N 3.28Å; H1774-R1776 PolarHBondContact O-N 3.07Å; H1774-S1777 WeakPolarHBondContact O-CA 3.29Å; H1774-S1777 WeakPolarHBondContact O-CB 3.29Å; H1774-S1777 PolarHBondContact O-N 3.03Å; H1774-S1777 VanDerWaalsContact O-N 3.11Å; H1774-I1778 WeakPolarHBondContact CE1-CD1 3.21Å; H1774-I1778 VanDerWaalsContact NE2-CD1 3.32Å; H1774-I1778 WeakPolarHBondContact NE2-CD1 3.36Å; H1774-I1778 WeakPolarHBondContact O-CG1 3.35Å; H1774-I1778 PolarHBondContact O-N 2.92Å |
| 1775 | I | 84.7 | Confident | 74.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 177.2 | -66.6 | 171.7 | 0 | 0 | 0 | 110.5 | V1771 V1772 S1773 S1777 I1778 S1779 A1789 T1791 W1983 F1996 Q1998 | V1771-I1775 HydrophobicContact CG1-CD1 3.81Å; V1771-I1775 HydrophobicContact CG1-CG1 4.38Å; V1771-I1775 VanDerWaalsContact O-CG1 3.29Å; V1771-I1775 WeakPolarHBondContact O-CG1 3.37Å; V1771-I1775 PolarHBondContact O-N 3.26Å; V1772-I1775 PolarHBondContact O-N 2.91Å; S1773-I1775 PolarHBondContact O-N 3.4Å; I1775-S1777 VanDerWaalsContact C-N 3.31Å; I1775-S1777 PolarHBondContact O-N 3.09Å; I1775-I1778 PolarHBondContact O-N 3.02Å; I1775-S1779 VanDerWaalsContact O-CB 3.3Å; I1775-S1779 WeakPolarHBondContact O-CB 3.34Å; I1775-S1779 PolarHBondContact O-N 2.96Å; I1775-S1779 PolarHBondContact O-OG 3.05Å; I1775-S1779 VanDerWaalsContact O-OG 3.13Å; I1775-A1789 HydrophobicContact CG2-CB 4.39Å; I1775-T1791 HydrophobicContact CG2-CG2 3.67Å; I1775-W1983 HydrophobicContact CD1-CB 4.37Å; I1775-F1996 HydrophobicContact CB-CD1 4.49Å; I1775-F1996 HydrophobicContact CD1-CB 3.98Å; I1775-F1996 HydrophobicContact CG2-CB 4.17Å; I1775-F1996 HydrophobicContact CG2-CD1 4.15Å; I1775-Q1998 HydrophobicContact CD1-CB 3.84Å; I1775-Q1998 HydrophobicContact CG1-CB 3.92Å; I1775-Q1998 HydrophobicContact CG1-CG 4.46Å; I1775-Q1998 VanDerWaalsContact CG1-OE1 3.23Å |
| 1776 | R | 82.3 | Confident | 72.9 | Confident | 83.8 Ų | 83.8 | 46.8 Ų | 46.8 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 175.5 | -133.2 | -174.9 | -102.6 | 112.3 | -0.2 | 112.7 | V1772 S1773 H1774 S1779 K1780 E1994 F1996 | V1772-R1776 VanDerWaalsContact CG1-CZ 3.43Å; V1772-R1776 VanDerWaalsContact CG1-NH2 3.31Å; V1772-R1776 VanDerWaalsContact O-CB 3.3Å; V1772-R1776 WeakPolarHBondContact O-CB 3.22Å; V1772-R1776 WeakPolarHBondContact O-CG 3.41Å; V1772-R1776 PolarHBondContact O-N 3.24Å; V1772-R1776 VanDerWaalsContact O-N 3.12Å; S1773-R1776 CarbonylContact O-C 3.49Å; S1773-R1776 WeakPolarHBondContact O-CB 3.46Å; S1773-R1776 PolarHBondContact O-N 2.99Å; H1774-R1776 VanDerWaalsContact C-N 3.28Å; H1774-R1776 PolarHBondContact O-N 3.07Å; R1776-S1779 WeakPolarHBondContact CA-OG 3.23Å; R1776-S1779 WeakPolarHBondContact O-CB 3.32Å; R1776-S1779 PolarHBondContact O-N 2.92Å; R1776-S1779 PolarHBondContact O-OG 3.12Å; R1776-K1780 WeakPolarHBondContact O-CG 3.41Å; R1776-K1780 PolarHBondContact O-N 3.33Å; R1776-E1994 IonicContact NH2-OE2 3.58Å; R1776-E1994 PolarHBondContact NH2-OE2 3.42Å; R1776-F1996 HydrophobicContact CG-CE1 3.92Å; R1776-F1996 VanDerWaalsContact NH2-CZ 3.25Å |
| 1777 | S | 75.9 | Confident | 71.9 | Confident | 22.8 Ų | 22.8 | 46.6 Ų | 46.6 | 16% | 0.159 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.2 | -50.7 | 174.4 | -143.3 | 0 | 0 | 0 | 0 | 110.6 | V1714 Y1716 S1773 H1774 I1775 S1779 K1780 H1781 | V1714-S1777 PolarHBondContact O-OG 2.9Å; Y1716-S1777 VanDerWaalsContact CE2-CB 3.46Å; Y1716-S1777 VanDerWaalsContact CE2-OG 3.27Å; Y1716-S1777 WeakPolarHBondContact CE2-OG 3.17Å; Y1716-S1777 PolarHBondContact OH-OG 2.98Å; S1773-S1777 PolarHBondContact O-N 3.1Å; S1773-S1777 PolarHBondContact O-OG 2.79Å; H1774-S1777 WeakPolarHBondContact O-CA 3.29Å; H1774-S1777 WeakPolarHBondContact O-CB 3.29Å; H1774-S1777 PolarHBondContact O-N 3.03Å; H1774-S1777 VanDerWaalsContact O-N 3.11Å; I1775-S1777 VanDerWaalsContact C-N 3.31Å; I1775-S1777 PolarHBondContact O-N 3.09Å; S1777-S1779 VanDerWaalsContact C-N 3.31Å; S1777-S1779 PolarHBondContact O-N 3.27Å; S1777-K1780 WeakPolarHBondContact O-CB 3.39Å; S1777-K1780 PolarHBondContact O-N 3.04Å; S1777-K1780 VanDerWaalsContact O-N 3.13Å; S1777-H1781 PolarHBondContact O-CD2 2.88Å; S1777-H1781 VanDerWaalsContact O-CD2 3.3Å; S1777-H1781 PolarHBondContact O-N 3.22Å; S1777-H1781 VanDerWaalsContact O-N 3.13Å |
| 1778 | I | 76.2 | Confident | 71.2 | Confident | 5.8 Ų | 5.8 | 47.2 Ų | 47.2 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 178.7 | -67.6 | 176.9 | 0 | 0 | 0 | 111.7 | I1747 N1751 H1774 I1775 K1780 H1781 L1787 A1789 Q1998 | I1747-I1778 HydrophobicContact CG2-CD1 4.05Å; I1747-I1778 HydrophobicContact CG2-CG1 4.22Å; N1751-I1778 WeakPolarHBondContact OD1-CD1 3.32Å; H1774-I1778 WeakPolarHBondContact CE1-CD1 3.21Å; H1774-I1778 VanDerWaalsContact NE2-CD1 3.32Å; H1774-I1778 WeakPolarHBondContact NE2-CD1 3.36Å; H1774-I1778 WeakPolarHBondContact O-CG1 3.35Å; H1774-I1778 PolarHBondContact O-N 2.92Å; I1775-I1778 PolarHBondContact O-N 3.02Å; I1778-K1780 VanDerWaalsContact C-N 3.26Å; I1778-K1780 PolarHBondContact O-N 2.99Å; I1778-K1780 VanDerWaalsContact O-N 3.13Å; I1778-H1781 CarbonylContact O-C 3.45Å; I1778-H1781 PolarHBondContact O-N 3.08Å; I1778-H1781 VanDerWaalsContact O-O 3.11Å; I1778-L1787 HydrophobicContact CD1-CD1 4.47Å; I1778-L1787 HydrophobicContact CG2-CB 4.29Å; I1778-L1787 HydrophobicContact CG2-CD1 4.35Å; I1778-A1789 HydrophobicContact CB-CB 4.01Å; I1778-A1789 HydrophobicContact CD1-CB 4.32Å; I1778-A1789 HydrophobicContact CG2-CB 3.91Å; I1778-Q1998 HydrophobicContact CD1-CG 4.41Å |
| 1779 | S | 68.5 | Low | 70.8 | Confident | 47.8 Ų | 47.8 | 48.3 Ų | 48.3 | 33% | 0.334 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.9 | -18 | -179.3 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | I1775 R1776 S1777 T1791 | I1775-S1779 VanDerWaalsContact O-CB 3.3Å; I1775-S1779 WeakPolarHBondContact O-CB 3.34Å; I1775-S1779 PolarHBondContact O-N 2.96Å; I1775-S1779 PolarHBondContact O-OG 3.05Å; I1775-S1779 VanDerWaalsContact O-OG 3.13Å; R1776-S1779 WeakPolarHBondContact CA-OG 3.23Å; R1776-S1779 WeakPolarHBondContact O-CB 3.32Å; R1776-S1779 PolarHBondContact O-N 2.92Å; R1776-S1779 PolarHBondContact O-OG 3.12Å; S1777-S1779 VanDerWaalsContact C-N 3.31Å; S1777-S1779 PolarHBondContact O-N 3.27Å; S1779-T1791 PolarHBondContact OG-OG1 2.94Å |
| 1780 | K | 66.4 | Low | 70.5 | Confident | 134.4 Ų | 134.4 | 45.9 Ų | 45.9 | 58% | 0.584 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -87.2 | -23.3 | 172.6 | -67.7 | 177.7 | 178 | -176.7 | 0 | 113.3 | Q1713 D1715 R1776 S1777 I1778 | Q1713-K1780 VanDerWaalsContact CD-NZ 3.28Å; D1715-K1780 IonicContact OD1-NZ 2.93Å; D1715-K1780 PolarHBondContact OD1-NZ 2.94Å; R1776-K1780 WeakPolarHBondContact O-CG 3.41Å; R1776-K1780 PolarHBondContact O-N 3.33Å; S1777-K1780 WeakPolarHBondContact O-CB 3.39Å; S1777-K1780 PolarHBondContact O-N 3.04Å; S1777-K1780 VanDerWaalsContact O-N 3.13Å; I1778-K1780 VanDerWaalsContact C-N 3.26Å; I1778-K1780 PolarHBondContact O-N 2.99Å; I1778-K1780 VanDerWaalsContact O-N 3.13Å |
| 1781 | H | 58.4 | Low | 70.4 | Confident | 39.8 Ų | 39.8 | 47 Ų | 47 | 18% | 0.184 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -95.8 | 130.2 | -176.5 | -69 | -73.2 | 0 | 0 | 0 | 111.5 | Y1716 I1747 S1777 I1778 I1783 A1784 | Y1716-H1781 AromaticContact CD2-CD2 3.73Å; Y1716-H1781 AromaticContact CD2-CE1 3.99Å; Y1716-H1781 AromaticContact CD2-NE2 3.76Å; Y1716-H1781 AromaticContact CE2-CE1 3.9Å; Y1716-H1781 AromaticContact CE2-NE2 3.56Å; Y1716-H1781 WeakPolarHBondContact CE2-NE2 3.46Å; Y1716-H1781 PolarHBondContact OH-CE1 3.17Å; I1747-H1781 HydrophobicContact CD1-CB 3.92Å; I1747-H1781 VanDerWaalsContact CD1-CB 3.45Å; S1777-H1781 PolarHBondContact O-CD2 2.88Å; S1777-H1781 VanDerWaalsContact O-CD2 3.3Å; S1777-H1781 PolarHBondContact O-N 3.22Å; S1777-H1781 VanDerWaalsContact O-N 3.13Å; I1778-H1781 CarbonylContact O-C 3.45Å; I1778-H1781 PolarHBondContact O-N 3.08Å; I1778-H1781 VanDerWaalsContact O-O 3.11Å; H1781-I1783 PolarHBondContact O-N 3.16Å; H1781-A1784 PolarHBondContact O-N 3Å |
| 1782 | V | 50.5 | Low | 70.1 | Confident | 127.6 Ų | 127.6 | 49.8 Ų | 49.8 | 77% | 0.773 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -65.3 | 6.4 | -174.5 | -179 | 0 | 0 | 0 | 0 | 112.9 | A1784 | V1782-A1784 PolarHBondContact O-N 3.2Å; V1782-A1784 VanDerWaalsContact O-N 3.12Å |
| 1783 | I | 53.5 | Low | 70.1 | Confident | 39.6 Ų | 39.6 | 53.7 Ų | 53.7 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -71.2 | 16.8 | 175.3 | -47.5 | 173 | 0 | 0 | 0 | 110.7 | V1504 Q1744 I1747 L1748 H1781 N1785 E1786 L1787 | V1504-I1783 HydrophobicContact CG2-CG2 4.26Å; Q1744-I1783 HydrophobicContact CB-CD1 4.31Å; Q1744-I1783 HydrophobicContact CB-CG1 3.95Å; Q1744-I1783 HydrophobicContact CG-CD1 4.12Å; Q1744-I1783 HydrophobicContact CG-CG1 4.06Å; Q1744-I1783 HydrophobicContact CG-CG2 4.29Å; I1747-I1783 HydrophobicContact CB-CD1 4.17Å; I1747-I1783 HydrophobicContact CD1-CD1 3.7Å; I1747-I1783 VanDerWaalsContact CD1-CD1 3.49Å; I1747-I1783 HydrophobicContact CG2-CD1 3.93Å; L1748-I1783 HydrophobicContact CD2-CD1 4.45Å; L1748-I1783 HydrophobicContact CG-CD1 4.25Å; H1781-I1783 PolarHBondContact O-N 3.16Å; I1783-N1785 PolarHBondContact O-N 3.04Å; I1783-E1786 PolarHBondContact O-N 3.13Å; I1783-E1786 VanDerWaalsContact O-N 3.08Å; I1783-L1787 HydrophobicContact CB-CD1 4.41Å; I1783-L1787 HydrophobicContact CD1-CD1 3.58Å; I1783-L1787 HydrophobicContact CG2-CD1 3.78Å; I1783-L1787 HydrophobicContact CG2-CG 4.13Å; I1783-L1787 PolarHBondContact O-N 3.18Å |
| 1784 | A | 44.2 | Very low | 70.1 | Confident | 52.6 Ų | 52.6 | 53 Ų | 53 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -49.6 | -0.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | H1781 V1782 E1786 L1787 | H1781-A1784 PolarHBondContact O-N 3Å; V1782-A1784 PolarHBondContact O-N 3.2Å; V1782-A1784 VanDerWaalsContact O-N 3.12Å; A1784-E1786 VanDerWaalsContact C-N 3.27Å; A1784-E1786 VanDerWaalsContact O-CG 3.31Å; A1784-E1786 WeakPolarHBondContact O-CG 3.04Å; A1784-E1786 PolarHBondContact O-N 3.07Å; A1784-L1787 VanDerWaalsContact O-O 3.04Å |
| 1785 | N | 52.6 | Low | 70.1 | Confident | 140.6 Ų | 140.6 | 57 Ų | 57 | 75% | 0.752 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -58.9 | -18.4 | 175.9 | -75.2 | -8.8 | 0 | 0 | 0 | 114.4 | N1561 I1783 | N1561-N1785 PolarHBondContact O-OD1 3.27Å; I1783-N1785 PolarHBondContact O-N 3.04Å |
| 1786 | E | 56 | Low | 70.1 | Confident | 76.6 Ų | 76.6 | 57.5 Ų | 57.5 | 36% | 0.358 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -21.9 | -177.5 | -65.2 | -170.6 | 170.3 | 0 | 0 | 113.4 | Y1496 L1500 R1503 I1783 A1784 | Y1496-E1786 PolarHBondContact OH-O 3.43Å; L1500-E1786 HydrophobicContact CD2-CB 3.79Å; L1500-E1786 WeakPolarHBondContact CD2-OE2 3.21Å; L1500-E1786 WeakPolarHBondContact CG-OE2 3.3Å; R1503-E1786 WeakPolarHBondContact CD-OE1 3.37Å; R1503-E1786 IonicContact CZ-OE1 3.73Å; R1503-E1786 IonicContact NE-OE1 2.95Å; R1503-E1786 PolarHBondContact NE-OE1 3.4Å; R1503-E1786 IonicContact NH2-OE1 2.79Å; I1783-E1786 PolarHBondContact O-N 3.13Å; I1783-E1786 VanDerWaalsContact O-N 3.08Å; A1784-E1786 VanDerWaalsContact C-N 3.27Å; A1784-E1786 VanDerWaalsContact O-CG 3.31Å; A1784-E1786 WeakPolarHBondContact O-CG 3.04Å; A1784-E1786 PolarHBondContact O-N 3.07Å |
| 1787 | L | 61.8 | Low | 70.1 | Confident | 22.2 Ų | 22.2 | 56.1 Ų | 56.1 | 12% | 0.116 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -114.9 | 115.2 | 179.2 | -66.2 | 170 | 0 | 0 | 0 | 110.3 | I1747 L1748 N1751 I1778 I1783 A1784 A1789 | I1747-L1787 HydrophobicContact CG2-CD1 3.7Å; I1747-L1787 VanDerWaalsContact CG2-CD1 3.45Å; L1748-L1787 HydrophobicContact CD2-CD1 4.12Å; N1751-L1787 WeakPolarHBondContact ND2-CD1 3.3Å; N1751-L1787 WeakPolarHBondContact ND2-CD2 3.33Å; I1778-L1787 HydrophobicContact CD1-CD1 4.47Å; I1778-L1787 HydrophobicContact CG2-CB 4.29Å; I1778-L1787 HydrophobicContact CG2-CD1 4.35Å; I1783-L1787 HydrophobicContact CB-CD1 4.41Å; I1783-L1787 HydrophobicContact CD1-CD1 3.58Å; I1783-L1787 HydrophobicContact CG2-CD1 3.78Å; I1783-L1787 HydrophobicContact CG2-CG 4.13Å; I1783-L1787 PolarHBondContact O-N 3.18Å; A1784-L1787 VanDerWaalsContact O-O 3.04Å; L1787-A1789 VanDerWaalsContact C-N 3.33Å; L1787-A1789 PolarHBondContact O-N 2.97Å; L1787-A1789 VanDerWaalsContact O-N 3.08Å |
| 1788 | S | 67.6 | Low | 70.6 | Confident | 22.6 Ų | 22.6 | 55.7 Ų | 55.7 | 16% | 0.158 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 78.3 | 180 | 26.5 | 0 | 0 | 0 | 0 | 111.4 | Q1998 E1999 P2002 | S1788-Q1998 WeakPolarHBondContact O-CA 3.29Å; S1788-E1999 PolarHBondContact O-N 2.9Å; S1788-E1999 VanDerWaalsContact O-N 3.1Å; S1788-E1999 WeakPolarHBondContact OG-CG 3.41Å; S1788-E1999 PolarHBondContact OG-O 2.85Å; S1788-P2002 VanDerWaalsContact OG-CA 3.29Å; S1788-P2002 WeakPolarHBondContact OG-CA 3.24Å |
| 1789 | A | 76.8 | Confident | 70.8 | Confident | 22.6 Ų | 22.6 | 56.9 Ų | 56.9 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 135.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | I1775 I1778 L1787 F1997 Q1998 | I1775-A1789 HydrophobicContact CG2-CB 4.39Å; I1778-A1789 HydrophobicContact CB-CB 4.01Å; I1778-A1789 HydrophobicContact CD1-CB 4.32Å; I1778-A1789 HydrophobicContact CG2-CB 3.91Å; L1787-A1789 VanDerWaalsContact C-N 3.33Å; L1787-A1789 PolarHBondContact O-N 2.97Å; L1787-A1789 VanDerWaalsContact O-N 3.08Å; A1789-F1997 CarbonylContact C-O 3.48Å; A1789-F1997 VanDerWaalsContact CA-O 3.31Å; A1789-F1997 WeakPolarHBondContact CA-O 3.3Å; A1789-Q1998 HydrophobicContact CB-CG 4.49Å |
| 1790 | L | 78.9 | Confident | 71.2 | Confident | 53.8 Ų | 53.8 | 56.2 Ų | 56.2 | 28% | 0.282 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 133.1 | 176.8 | 176.5 | 75.7 | 0 | 0 | 0 | 109 | E1792 M1995 F1997 V2009 | L1790-E1792 HydrophobicContact CD1-CG 3.97Å; L1790-E1792 HydrophobicContact CD2-CG 4Å; L1790-E1792 HydrophobicContact CG-CG 3.93Å; L1790-M1995 HydrophobicContact CD2-CE 4.03Å; L1790-F1997 HydrophobicContact CB-CB 4.18Å; L1790-F1997 HydrophobicContact CB-CD1 4.14Å; L1790-F1997 HydrophobicContact CD2-CB 4.49Å; L1790-F1997 PolarHBondContact N-O 2.99Å; L1790-F1997 PolarHBondContact O-N 3.03Å; L1790-V2009 HydrophobicContact CD2-CG1 3.84Å |
| 1791 | T | 81.2 | Confident | 71.8 | Confident | 45.2 Ų | 45.2 | 53 Ų | 53 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120.8 | 169.6 | -42.1 | 0 | 0 | 0 | 0 | 108.5 | I1775 S1779 M1995 F1996 | I1775-T1791 HydrophobicContact CG2-CG2 3.67Å; S1779-T1791 PolarHBondContact OG-OG1 2.94Å; T1791-M1995 CarbonylContact C-O 3.49Å; T1791-M1995 WeakPolarHBondContact CA-O 3.36Å; T1791-F1996 HydrophobicContact CG2-CD1 3.81Å; T1791-F1996 HydrophobicContact CG2-CE1 3.5Å; T1791-F1996 VanDerWaalsContact CG2-CE1 3.45Å; T1791-F1996 HydrophobicContact CG2-CZ 4.27Å |
| 1792 | E | 82.6 | Confident | 72.8 | Confident | 58.6 Ų | 58.6 | 56 Ų | 56 | 27% | 0.274 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 140 | -178.9 | -114.8 | -109.8 | 178.2 | 0 | 0 | 110.3 | F1556 L1790 I1794 E1994 M1995 | F1556-E1792 WeakPolarHBondContact CB-OE1 3.31Å; F1556-E1792 VanDerWaalsContact CD1-OE1 3.3Å; F1556-E1792 WeakPolarHBondContact CD1-OE1 3.25Å; L1790-E1792 HydrophobicContact CD1-CG 3.97Å; L1790-E1792 HydrophobicContact CD2-CG 4Å; L1790-E1792 HydrophobicContact CG-CG 3.93Å; E1792-I1794 HydrophobicContact CG-CG1 4.31Å; E1792-E1994 CarbonylContact O-C 3.52Å; E1792-E1994 WeakPolarHBondContact O-CA 3.38Å; E1792-M1995 HydrophobicContact CB-CB 4.32Å; E1792-M1995 HydrophobicContact CB-CE 3.94Å; E1792-M1995 HydrophobicContact CG-CE 4.09Å; E1792-M1995 PolarHBondContact N-O 3.18Å; E1792-M1995 PolarHBondContact O-N 3.04Å; E1792-M1995 WeakPolarHBondContact OE2-CE 3.35Å |
| 1793 | T | 84.9 | Confident | 74.3 | Confident | 83.6 Ų | 83.6 | 60.1 Ų | 60.1 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.3 | -179.7 | -18.1 | 0 | 0 | 0 | 0 | 109.7 | V1992 E1994 | T1793-V1992 HydrophobicContact CG2-CG1 3.28Å; T1793-E1994 HydrophobicContact CG2-CG 4.34Å |
| 1794 | I | 85.7 | Confident | 75.7 | Confident | 28.8 Ų | 28.8 | 62.9 Ų | 62.9 | 15% | 0.148 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.5 | -172.6 | -55.2 | 171.1 | 0 | 0 | 0 | 108.9 | F1556 E1792 L1796 L1993 L2013 I2016 | F1556-I1794 HydrophobicContact CD1-CG1 4.09Å; F1556-I1794 HydrophobicContact CE1-CB 4.07Å; F1556-I1794 HydrophobicContact CE1-CD1 4.03Å; F1556-I1794 HydrophobicContact CE1-CG1 3.72Å; F1556-I1794 HydrophobicContact CE1-CG2 3.64Å; F1556-I1794 HydrophobicContact CZ-CG2 4.26Å; E1792-I1794 HydrophobicContact CG-CG1 4.31Å; I1794-L1796 PolarHBondContact O-N 3.31Å; I1794-L1993 HydrophobicContact CB-CB 4.43Å; I1794-L1993 HydrophobicContact CB-CD2 4.4Å; I1794-L1993 WeakPolarHBondContact CB-O 3.31Å; I1794-L1993 HydrophobicContact CD1-CD2 4.11Å; I1794-L1993 HydrophobicContact CG1-CD2 4.43Å; I1794-L1993 PolarHBondContact N-O 3.17Å; I1794-L1993 PolarHBondContact O-N 3.06Å; I1794-L2013 HydrophobicContact CD1-CD2 3.37Å; I1794-L2013 VanDerWaalsContact CD1-CD2 3.42Å; I1794-L2013 HydrophobicContact CG1-CD2 4.24Å; I1794-I2016 HydrophobicContact CD1-CD1 4.11Å; I1794-I2016 HydrophobicContact CD1-CG2 4.38Å; I1794-I2016 HydrophobicContact CG2-CG2 4.38Å |
| 1795 | P | 83.2 | Confident | 77.7 | Confident | 88.2 Ų | 88.2 | 60.4 Ų | 60.4 | 57% | 0.573 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.7 | 174 | 28.6 | -32.3 | 0 | 0 | 0 | 110.5 | V1797 | P1795-V1797 HydrophobicContact CB-CG2 4.41Å; P1795-V1797 PolarHBondContact O-N 3.11Å |
| 1796 | L | 84.7 | Confident | 79.4 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | trans | -89.9 | 95.3 | 176.7 | -57.2 | 177.8 | 0 | 0 | 0 | 109.2 | I1794 F1798 L1806 F1809 M1991 L1993 V2020 | I1794-L1796 PolarHBondContact O-N 3.31Å; L1796-F1798 HydrophobicContact CB-CD2 4.48Å; L1796-F1798 HydrophobicContact CB-CE2 3.84Å; L1796-F1798 HydrophobicContact CB-CZ 4.03Å; L1796-F1798 HydrophobicContact CD1-CE2 4.49Å; L1796-F1798 HydrophobicContact CD1-CZ 4.44Å; L1796-F1798 PolarHBondContact O-N 3.26Å; L1796-L1806 HydrophobicContact CD1-CD1 3.85Å; L1796-F1809 HydrophobicContact CD1-CD1 4.34Å; L1796-F1809 HydrophobicContact CD1-CE1 3.97Å; L1796-F1809 HydrophobicContact CD2-CE1 4.13Å; L1796-F1809 HydrophobicContact CD2-CZ 3.95Å; L1796-M1991 WeakPolarHBondContact CB-O 3.42Å; L1796-M1991 PolarHBondContact N-O 3.04Å; L1796-L1993 HydrophobicContact CD1-CB 4.29Å; L1796-L1993 HydrophobicContact CD2-CB 4.13Å; L1796-L1993 HydrophobicContact CG-CB 4.24Å; L1796-V2020 HydrophobicContact CD2-CG2 3.88Å | ||
| 1797 | V | 83.3 | Confident | 80.9 | Confident | 55.4 Ų | 55.4 | 56.5 Ų | 56.5 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | trans | -94.1 | 108.8 | -179.7 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | P1795 N2024 F2080 | P1795-V1797 HydrophobicContact CB-CG2 4.41Å; P1795-V1797 PolarHBondContact O-N 3.11Å; V1797-N2024 PolarHBondContact O-ND2 2.9Å; V1797-F2080 HydrophobicContact CB-CE2 4.27Å; V1797-F2080 HydrophobicContact CB-CZ 4.2Å; V1797-F2080 HydrophobicContact CG1-CE2 3.77Å; V1797-F2080 HydrophobicContact CG1-CZ 4.2Å | ||
| 1798 | F | 85.3 | Confident | 82 | Confident | 13.4 Ų | 13.4 | 56.5 Ų | 56.5 | 6% | 0.059 | 29% | 0.291 | C | S | . | . | trans | -101.5 | 132 | 176.5 | -60.7 | -63 | 0 | 0 | 0 | 111.1 | L1796 L1800 S1805 L1806 F1809 M1991 V2020 T2023 N2024 | L1796-F1798 HydrophobicContact CB-CD2 4.48Å; L1796-F1798 HydrophobicContact CB-CE2 3.84Å; L1796-F1798 HydrophobicContact CB-CZ 4.03Å; L1796-F1798 HydrophobicContact CD1-CE2 4.49Å; L1796-F1798 HydrophobicContact CD1-CZ 4.44Å; L1796-F1798 PolarHBondContact O-N 3.26Å; F1798-L1800 VanDerWaalsContact C-N 3.27Å; F1798-L1800 PolarHBondContact O-N 3.5Å; F1798-S1805 VanDerWaalsContact CG-CB 3.45Å; F1798-L1806 HydrophobicContact CE2-CB 3.96Å; F1798-L1806 HydrophobicContact CE2-CD1 4.04Å; F1798-L1806 HydrophobicContact CZ-CD1 4.4Å; F1798-F1809 HydrophobicContact CE1-CB 3.92Å; F1798-F1809 HydrophobicContact CE1-CG 4.28Å; F1798-F1809 HydrophobicContact CZ-CB 3.71Å; F1798-F1809 HydrophobicContact CZ-CD1 4.25Å; F1798-F1809 HydrophobicContact CZ-CD2 4.47Å; F1798-F1809 AromaticContact CZ-CG 3.9Å; F1798-F1809 HydrophobicContact CZ-CG 3.9Å; F1798-M1991 HydrophobicContact CD2-SD 4.03Å; F1798-M1991 HydrophobicContact CE2-SD 4.15Å; F1798-V2020 HydrophobicContact CE1-CG1 4.39Å; F1798-T2023 HydrophobicContact CD1-CG2 4.47Å; F1798-T2023 HydrophobicContact CE1-CG2 4.21Å; F1798-N2024 VanDerWaalsContact CA-OD1 3.29Å; F1798-N2024 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 1799 | V | 80.8 | Confident | 83.1 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 19% | 0.188 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -73 | -33.1 | -174.5 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | N2024 L2028 L2041 Y2073 A2076 F2085 | V1799-N2024 HydrophobicContact CG2-CB 4.26Å; V1799-N2024 PolarHBondContact N-OD1 3.36Å; V1799-L2028 HydrophobicContact CG1-CD2 4.22Å; V1799-L2041 HydrophobicContact CG1-CD1 4.07Å; V1799-L2041 HydrophobicContact CG2-CD1 4.31Å; V1799-Y2073 HydrophobicContact CG1-CD2 4.26Å; V1799-A2076 HydrophobicContact CB-CB 4.38Å; V1799-A2076 HydrophobicContact CG1-CB 4.07Å; V1799-A2076 HydrophobicContact CG2-CB 4.04Å; V1799-F2085 HydrophobicContact CG2-CD2 4.28Å; V1799-F2085 HydrophobicContact CG2-CE2 3.63Å; V1799-F2085 HydrophobicContact CG2-CZ 4.02Å |
| 1800 | L | 76.7 | Confident | 83.6 | Confident | 32.6 Ų | 32.6 | 55.9 Ų | 55.9 | 17% | 0.171 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -138 | 149.2 | -177.4 | -66.8 | 171.4 | 0 | 0 | 0 | 110 | F1798 E1802 S1805 M2027 L2028 H2031 Y2073 | F1798-L1800 VanDerWaalsContact C-N 3.27Å; F1798-L1800 PolarHBondContact O-N 3.5Å; L1800-E1802 PolarHBondContact O-N 3.2Å; L1800-S1805 PolarHBondContact O-OG 3.01Å; L1800-M2027 HydrophobicContact CB-CB 4.28Å; L1800-M2027 HydrophobicContact CD1-CB 4.42Å; L1800-L2028 HydrophobicContact CD1-CD2 4.04Å; L1800-H2031 HydrophobicContact CD1-CB 3.72Å; L1800-Y2073 HydrophobicContact CD2-CD2 4.29Å |
| 1801 | H | 78.9 | Confident | 84 | Confident | 69.2 Ų | 69.2 | 58.6 Ų | 58.6 | 32% | 0.32 | 29% | 0.292 | S | S | . | . | trans | 38.8 | 66.5 | 173 | -49.4 | -65.2 | 0 | 0 | 0 | 114.4 | R1803 N1804 S1805 E2069 | H1801-R1803 VanDerWaalsContact C-N 3.28Å; H1801-R1803 PolarHBondContact O-N 2.88Å; H1801-R1803 VanDerWaalsContact O-N 3.07Å; H1801-N1804 HydrophobicContact CB-CB 4.15Å; H1801-N1804 PolarHBondContact O-N 3.11Å; H1801-N1804 VanDerWaalsContact O-N 3.08Å; H1801-S1805 WeakPolarHBondContact O-CB 3.48Å; H1801-S1805 PolarHBondContact O-N 3.1Å; H1801-S1805 PolarHBondContact O-OG 3.12Å; H1801-E2069 VanDerWaalsContact CE1-CD 3.45Å; H1801-E2069 IonicContact CE1-OE1 3.22Å; H1801-E2069 PolarHBondContact CE1-OE1 3Å; H1801-E2069 VanDerWaalsContact CE1-OE1 3.25Å; H1801-E2069 IonicContact CE1-OE2 2.79Å; H1801-E2069 PolarHBondContact CE1-OE2 3.01Å; H1801-E2069 IonicContact ND1-OE1 3.06Å | ||
| 1802 | E | 80 | Confident | 84.3 | Confident | 101.6 Ų | 101.6 | 58.5 Ų | 58.5 | 48% | 0.475 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -48.6 | -40.7 | -168.6 | -57 | -176.5 | 159.4 | 0 | 0 | 114.4 | L1800 S1805 L1806 M1991 | L1800-E1802 PolarHBondContact O-N 3.2Å; E1802-S1805 PolarHBondContact O-N 3.09Å; E1802-L1806 VanDerWaalsContact O-CB 3.32Å; E1802-L1806 WeakPolarHBondContact O-CB 3.4Å; E1802-L1806 PolarHBondContact O-N 3.14Å; E1802-M1991 HydrophobicContact CB-CE 3.48Å; E1802-M1991 VanDerWaalsContact CB-CE 3.45Å; E1802-M1991 HydrophobicContact CB-SD 4.25Å |
| 1803 | R | 80.9 | Confident | 84.5 | Confident | 213.2 Ų | 213.2 | 55.8 Ų | 55.8 | 81% | 0.805 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66 | -46.9 | 179.3 | -83.8 | -176.9 | -175.4 | 155 | 2.5 | 113.2 | H1801 S1805 L1806 E1807 | H1801-R1803 VanDerWaalsContact C-N 3.28Å; H1801-R1803 PolarHBondContact O-N 2.88Å; H1801-R1803 VanDerWaalsContact O-N 3.07Å; R1803-S1805 VanDerWaalsContact C-N 3.31Å; R1803-S1805 PolarHBondContact O-N 3.18Å; R1803-L1806 PolarHBondContact O-N 3.09Å; R1803-E1807 PolarHBondContact O-N 3.09Å; R1803-E1807 VanDerWaalsContact O-N 3.14Å |
| 1804 | N | 83.9 | Confident | 84.4 | Confident | 98.6 Ų | 98.6 | 55.9 Ų | 55.9 | 53% | 0.527 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 179.3 | -65.1 | -15.4 | 0 | 0 | 0 | 110.5 | H1801 E1807 D1808 | H1801-N1804 HydrophobicContact CB-CB 4.15Å; H1801-N1804 PolarHBondContact O-N 3.11Å; H1801-N1804 VanDerWaalsContact O-N 3.08Å; N1804-E1807 PolarHBondContact O-N 3.22Å; N1804-D1808 PolarHBondContact O-N 2.99Å; N1804-D1808 VanDerWaalsContact O-N 3.09Å |
| 1805 | S | 86.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.1 | -65.5 | 0 | 0 | 0 | 0 | 112 | F1798 L1800 H1801 E1802 R1803 E1807 D1808 F1809 T2023 M2027 | F1798-S1805 VanDerWaalsContact CG-CB 3.45Å; L1800-S1805 PolarHBondContact O-OG 3.01Å; H1801-S1805 WeakPolarHBondContact O-CB 3.48Å; H1801-S1805 PolarHBondContact O-N 3.1Å; H1801-S1805 PolarHBondContact O-OG 3.12Å; E1802-S1805 PolarHBondContact O-N 3.09Å; R1803-S1805 VanDerWaalsContact C-N 3.31Å; R1803-S1805 PolarHBondContact O-N 3.18Å; S1805-E1807 VanDerWaalsContact C-N 3.34Å; S1805-E1807 PolarHBondContact O-N 3.15Å; S1805-D1808 PolarHBondContact O-N 3.08Å; S1805-F1809 VanDerWaalsContact O-CB 3.22Å; S1805-F1809 WeakPolarHBondContact O-CB 3.27Å; S1805-F1809 PolarHBondContact O-N 3.22Å; S1805-T2023 VanDerWaalsContact O-CG2 3.25Å; S1805-T2023 WeakPolarHBondContact O-CG2 3.39Å; S1805-M2027 VanDerWaalsContact OG-CG 3.28Å; S1805-M2027 WeakPolarHBondContact OG-CG 3.38Å |
| 1806 | L | 86.7 | Confident | 84.3 | Confident | 29 Ų | 29 | 60.3 Ų | 60.3 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.5 | -178.4 | 63.9 | 0 | 0 | 0 | 111.4 | L1796 F1798 E1802 R1803 D1808 F1809 L1810 I1988 M1991 | L1796-L1806 HydrophobicContact CD1-CD1 3.85Å; F1798-L1806 HydrophobicContact CE2-CB 3.96Å; F1798-L1806 HydrophobicContact CE2-CD1 4.04Å; F1798-L1806 HydrophobicContact CZ-CD1 4.4Å; E1802-L1806 VanDerWaalsContact O-CB 3.32Å; E1802-L1806 WeakPolarHBondContact O-CB 3.4Å; E1802-L1806 PolarHBondContact O-N 3.14Å; R1803-L1806 PolarHBondContact O-N 3.09Å; L1806-D1808 PolarHBondContact O-N 2.84Å; L1806-F1809 HydrophobicContact CD1-CD1 4.32Å; L1806-F1809 WeakPolarHBondContact O-CB 3.12Å; L1806-F1809 PolarHBondContact O-N 3.17Å; L1806-L1810 HydrophobicContact CD1-CD1 4.45Å; L1806-L1810 HydrophobicContact CD1-CG 4.4Å; L1806-L1810 HydrophobicContact CG-CD1 4.34Å; L1806-L1810 WeakPolarHBondContact O-CB 3.34Å; L1806-L1810 VanDerWaalsContact O-CG 3.26Å; L1806-L1810 WeakPolarHBondContact O-CG 3.31Å; L1806-L1810 PolarHBondContact O-N 3.13Å; L1806-I1988 HydrophobicContact CD1-CG2 4.44Å; L1806-M1991 HydrophobicContact CB-SD 4.48Å; L1806-M1991 HydrophobicContact CD2-CE 4.36Å; L1806-M1991 HydrophobicContact CD2-SD 4.32Å |
| 1807 | E | 87.5 | Confident | 84 | Confident | 106.4 Ų | 106.4 | 68.8 Ų | 68.8 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 178 | -150.5 | -171.2 | 163.5 | 0 | 0 | 112.5 | R1803 N1804 S1805 L1810 K1811 | R1803-E1807 PolarHBondContact O-N 3.09Å; R1803-E1807 VanDerWaalsContact O-N 3.14Å; N1804-E1807 PolarHBondContact O-N 3.22Å; S1805-E1807 VanDerWaalsContact C-N 3.34Å; S1805-E1807 PolarHBondContact O-N 3.15Å; E1807-L1810 PolarHBondContact O-N 2.93Å; E1807-K1811 WeakPolarHBondContact O-CG 3.37Å; E1807-K1811 PolarHBondContact O-N 3.19Å; E1807-K1811 VanDerWaalsContact OE1-CE 3.23Å; E1807-K1811 WeakPolarHBondContact OE1-CE 3.36Å; E1807-K1811 IonicContact OE1-NZ 3.11Å; E1807-K1811 PolarHBondContact OE1-NZ 3.29Å; E1807-K1811 IonicContact OE2-NZ 3.79Å |
| 1808 | D | 86.3 | Confident | 83.9 | Confident | 23.4 Ų | 23.4 | 67 Ų | 67 | 13% | 0.125 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 177.5 | -163.7 | 60.1 | 0 | 0 | 0 | 111.8 | N1804 S1805 L1806 L1810 K1811 R1812 T2023 K2026 M2027 | N1804-D1808 PolarHBondContact O-N 2.99Å; N1804-D1808 VanDerWaalsContact O-N 3.09Å; S1805-D1808 PolarHBondContact O-N 3.08Å; L1806-D1808 PolarHBondContact O-N 2.84Å; D1808-L1810 PolarHBondContact O-N 3.17Å; D1808-K1811 PolarHBondContact O-N 3.07Å; D1808-R1812 WeakPolarHBondContact O-CB 3.44Å; D1808-R1812 VanDerWaalsContact O-CG 3.31Å; D1808-R1812 WeakPolarHBondContact O-CG 3.38Å; D1808-R1812 PolarHBondContact O-N 2.96Å; D1808-R1812 IonicContact OD1-NE 2.8Å; D1808-R1812 WeakPolarHBondContact OD2-CD 3.26Å; D1808-R1812 IonicContact OD2-CZ 3.35Å; D1808-R1812 IonicContact OD2-NE 3.52Å; D1808-R1812 PolarHBondContact OD2-NE 3.17Å; D1808-R1812 IonicContact OD2-NH1 2.72Å; D1808-R1812 IonicContact OD2-NH2 3.41Å; D1808-T2023 HydrophobicContact CB-CG2 4.19Å; D1808-K2026 IonicContact OD1-NZ 3.53Å; D1808-K2026 PolarHBondContact OD1-NZ 3.15Å; D1808-K2026 WeakPolarHBondContact OD2-CD 3.33Å; D1808-K2026 IonicContact OD2-NZ 3.32Å; D1808-K2026 PolarHBondContact OD2-NZ 2.92Å; D1808-K2026 VanDerWaalsContact OD2-NZ 3.13Å; D1808-M2027 HydrophobicContact CB-CE 4.49Å |
| 1809 | F | 90.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57 | -49.3 | 172.4 | 166.4 | -101 | 0 | 0 | 0 | 110.9 | L1796 F1798 S1805 L1806 K1811 R1812 L1813 L1993 I2016 T2019 V2020 T2023 | L1796-F1809 HydrophobicContact CD1-CD1 4.34Å; L1796-F1809 HydrophobicContact CD1-CE1 3.97Å; L1796-F1809 HydrophobicContact CD2-CE1 4.13Å; L1796-F1809 HydrophobicContact CD2-CZ 3.95Å; F1798-F1809 HydrophobicContact CE1-CB 3.92Å; F1798-F1809 HydrophobicContact CE1-CG 4.28Å; F1798-F1809 HydrophobicContact CZ-CB 3.71Å; F1798-F1809 HydrophobicContact CZ-CD1 4.25Å; F1798-F1809 HydrophobicContact CZ-CD2 4.47Å; F1798-F1809 AromaticContact CZ-CG 3.9Å; F1798-F1809 HydrophobicContact CZ-CG 3.9Å; S1805-F1809 VanDerWaalsContact O-CB 3.22Å; S1805-F1809 WeakPolarHBondContact O-CB 3.27Å; S1805-F1809 PolarHBondContact O-N 3.22Å; L1806-F1809 HydrophobicContact CD1-CD1 4.32Å; L1806-F1809 WeakPolarHBondContact O-CB 3.12Å; L1806-F1809 PolarHBondContact O-N 3.17Å; F1809-K1811 VanDerWaalsContact C-N 3.35Å; F1809-K1811 PolarHBondContact O-N 3.08Å; F1809-R1812 PolarHBondContact O-N 3.05Å; F1809-R1812 VanDerWaalsContact O-N 3.15Å; F1809-L1813 HydrophobicContact CE1-CD2 3.96Å; F1809-L1813 HydrophobicContact CE2-CD1 4.48Å; F1809-L1813 HydrophobicContact CZ-CB 4.47Å; F1809-L1813 HydrophobicContact CZ-CD1 4.4Å; F1809-L1813 HydrophobicContact CZ-CD2 3.77Å; F1809-L1813 HydrophobicContact CZ-CG 4.44Å; F1809-L1813 VanDerWaalsContact O-CB 3.29Å; F1809-L1813 WeakPolarHBondContact O-CB 3.34Å; F1809-L1813 PolarHBondContact O-N 3.11Å; F1809-L1993 HydrophobicContact CE1-CD1 4.35Å; F1809-L1993 HydrophobicContact CZ-CD1 4.23Å; F1809-I2016 HydrophobicContact CE2-CG2 4.48Å; F1809-I2016 HydrophobicContact CZ-CG2 4.25Å; F1809-T2019 HydrophobicContact CD2-CG2 3.64Å; F1809-T2019 HydrophobicContact CE2-CG2 3.86Å; F1809-V2020 HydrophobicContact CD2-CG2 3.86Å; F1809-V2020 HydrophobicContact CE2-CG2 3.52Å; F1809-V2020 HydrophobicContact CZ-CG2 4.25Å; F1809-T2023 HydrophobicContact CB-CG2 4.18Å |
| 1810 | L | 87.5 | Confident | 83.3 | Confident | 32.6 Ų | 32.6 | 71.4 Ų | 71.4 | 17% | 0.171 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 178.9 | -69.6 | 176.2 | 0 | 0 | 0 | 112.2 | L1806 E1807 D1808 R1812 K1814 I1988 | L1806-L1810 HydrophobicContact CD1-CD1 4.45Å; L1806-L1810 HydrophobicContact CD1-CG 4.4Å; L1806-L1810 HydrophobicContact CG-CD1 4.34Å; L1806-L1810 WeakPolarHBondContact O-CB 3.34Å; L1806-L1810 VanDerWaalsContact O-CG 3.26Å; L1806-L1810 WeakPolarHBondContact O-CG 3.31Å; L1806-L1810 PolarHBondContact O-N 3.13Å; E1807-L1810 PolarHBondContact O-N 2.93Å; D1808-L1810 PolarHBondContact O-N 3.17Å; L1810-R1812 VanDerWaalsContact C-N 3.3Å; L1810-R1812 PolarHBondContact O-N 3.18Å; L1810-K1814 WeakPolarHBondContact O-CD 3.31Å; L1810-K1814 VanDerWaalsContact O-CG 3.23Å; L1810-K1814 WeakPolarHBondContact O-CG 3.26Å; L1810-K1814 PolarHBondContact O-N 3.08Å; L1810-I1988 HydrophobicContact CD2-CD1 3.28Å; L1810-I1988 HydrophobicContact CD2-CG1 4.14Å |
| 1811 | K | 86.7 | Confident | 83.6 | Confident | 110.4 Ų | 110.4 | 70.8 Ų | 70.8 | 48% | 0.48 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.1 | -36.4 | 175.4 | -75.4 | 172.9 | -175.1 | 166.2 | 0 | 112.2 | E1807 D1808 F1809 | E1807-K1811 WeakPolarHBondContact O-CG 3.37Å; E1807-K1811 PolarHBondContact O-N 3.19Å; E1807-K1811 VanDerWaalsContact OE1-CE 3.23Å; E1807-K1811 WeakPolarHBondContact OE1-CE 3.36Å; E1807-K1811 IonicContact OE1-NZ 3.11Å; E1807-K1811 PolarHBondContact OE1-NZ 3.29Å; E1807-K1811 IonicContact OE2-NZ 3.79Å; D1808-K1811 PolarHBondContact O-N 3.07Å; F1809-K1811 VanDerWaalsContact C-N 3.35Å; F1809-K1811 PolarHBondContact O-N 3.08Å |
| 1812 | R | 87.3 | Confident | 83.6 | Confident | 42.6 Ų | 42.6 | 69.6 Ų | 69.6 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -76.8 | -44.7 | 178 | -73 | 171.2 | 173.2 | -117.1 | -8.2 | 111.8 | D1808 F1809 L1810 K1814 K1815 V1816 T2019 M2022 K2026 | D1808-R1812 WeakPolarHBondContact O-CB 3.44Å; D1808-R1812 VanDerWaalsContact O-CG 3.31Å; D1808-R1812 WeakPolarHBondContact O-CG 3.38Å; D1808-R1812 PolarHBondContact O-N 2.96Å; D1808-R1812 IonicContact OD1-NE 2.8Å; D1808-R1812 WeakPolarHBondContact OD2-CD 3.26Å; D1808-R1812 IonicContact OD2-CZ 3.35Å; D1808-R1812 IonicContact OD2-NE 3.52Å; D1808-R1812 PolarHBondContact OD2-NE 3.17Å; D1808-R1812 IonicContact OD2-NH1 2.72Å; D1808-R1812 IonicContact OD2-NH2 3.41Å; F1809-R1812 PolarHBondContact O-N 3.05Å; F1809-R1812 VanDerWaalsContact O-N 3.15Å; L1810-R1812 VanDerWaalsContact C-N 3.3Å; L1810-R1812 PolarHBondContact O-N 3.18Å; R1812-K1814 VanDerWaalsContact C-N 3.29Å; R1812-K1814 PolarHBondContact O-N 3.27Å; R1812-K1815 WeakPolarHBondContact O-CA 3.47Å; R1812-K1815 WeakPolarHBondContact O-CB 3.33Å; R1812-K1815 PolarHBondContact O-N 3.13Å; R1812-V1816 WeakPolarHBondContact O-CG2 3.39Å; R1812-V1816 PolarHBondContact O-N 3.32Å; R1812-T2019 HydrophobicContact CB-CG2 3.69Å; R1812-M2022 HydrophobicContact CB-CE 4.34Å; R1812-M2022 HydrophobicContact CG-CE 4.28Å; R1812-M2022 VanDerWaalsContact NH1-CE 3.3Å; R1812-M2022 PolarHBondContact NH1-O 3.17Å; R1812-M2022 PolarHBondContact NH1-SD 3.19Å; R1812-M2022 VanDerWaalsContact NH1-SD 3.4Å; R1812-K2026 VanDerWaalsContact NH2-CD 3.33Å |
| 1813 | L | 87.3 | Confident | 83.7 | Confident | 2.2 Ų | 2.2 | 65.5 Ų | 65.5 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.4 | -40.7 | -179 | -172.3 | 68.1 | 0 | 0 | 0 | 111.6 | F1809 K1815 V1816 L1823 L1831 L1986 L1993 I2016 T2019 | F1809-L1813 HydrophobicContact CE1-CD2 3.96Å; F1809-L1813 HydrophobicContact CE2-CD1 4.48Å; F1809-L1813 HydrophobicContact CZ-CB 4.47Å; F1809-L1813 HydrophobicContact CZ-CD1 4.4Å; F1809-L1813 HydrophobicContact CZ-CD2 3.77Å; F1809-L1813 HydrophobicContact CZ-CG 4.44Å; F1809-L1813 VanDerWaalsContact O-CB 3.29Å; F1809-L1813 WeakPolarHBondContact O-CB 3.34Å; F1809-L1813 PolarHBondContact O-N 3.11Å; L1813-K1815 PolarHBondContact O-N 3.15Å; L1813-V1816 HydrophobicContact CD1-CG2 4.48Å; L1813-V1816 WeakPolarHBondContact O-CB 3.4Å; L1813-V1816 PolarHBondContact O-N 3.07Å; L1813-V1816 VanDerWaalsContact O-N 3.11Å; L1813-L1823 HydrophobicContact CD1-CD2 4.08Å; L1813-L1823 HydrophobicContact CD2-CD2 4.17Å; L1813-L1823 HydrophobicContact CG-CD2 3.85Å; L1813-L1831 HydrophobicContact CD2-CD1 3.93Å; L1813-L1986 HydrophobicContact CD2-CD1 4.49Å; L1813-L1993 HydrophobicContact CD2-CD1 4.38Å; L1813-I2016 HydrophobicContact CD1-CG1 4Å; L1813-T2019 HydrophobicContact CB-CG2 4.28Å |
| 1814 | K | 83.1 | Confident | 83.8 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -21.3 | 175.4 | -70 | 171.6 | -164.5 | -175.5 | 0 | 114.2 | L1810 R1812 Q1825 L1831 | L1810-K1814 WeakPolarHBondContact O-CD 3.31Å; L1810-K1814 VanDerWaalsContact O-CG 3.23Å; L1810-K1814 WeakPolarHBondContact O-CG 3.26Å; L1810-K1814 PolarHBondContact O-N 3.08Å; R1812-K1814 VanDerWaalsContact C-N 3.29Å; R1812-K1814 PolarHBondContact O-N 3.27Å; K1814-Q1825 VanDerWaalsContact CE-CD 3.49Å; K1814-Q1825 VanDerWaalsContact NZ-CD 3.33Å; K1814-L1831 HydrophobicContact CG-CD2 4.14Å |
| 1815 | K | 82.9 | Confident | 83.8 | Confident | 174.4 Ų | 174.4 | 57.8 Ų | 57.8 | 76% | 0.758 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -8.8 | 179.2 | -65.1 | 179.4 | -178.9 | -177 | 0 | 112.7 | R1812 L1813 R1817 | R1812-K1815 WeakPolarHBondContact O-CA 3.47Å; R1812-K1815 WeakPolarHBondContact O-CB 3.33Å; R1812-K1815 PolarHBondContact O-N 3.13Å; L1813-K1815 PolarHBondContact O-N 3.15Å; K1815-R1817 PolarHBondContact O-N 3.24Å |
| 1816 | V | 82.5 | Confident | 83.3 | Confident | 35.6 Ų | 35.6 | 61.5 Ų | 61.5 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | trans | -68.8 | 129.1 | 179.6 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | R1812 L1813 I1818 A2015 | R1812-V1816 WeakPolarHBondContact O-CG2 3.39Å; R1812-V1816 PolarHBondContact O-N 3.32Å; L1813-V1816 HydrophobicContact CD1-CG2 4.48Å; L1813-V1816 WeakPolarHBondContact O-CB 3.4Å; L1813-V1816 PolarHBondContact O-N 3.07Å; L1813-V1816 VanDerWaalsContact O-N 3.11Å; V1816-I1818 HydrophobicContact CG1-CD1 4.38Å; V1816-I1818 HydrophobicContact CG1-CG1 3.9Å; V1816-A2015 HydrophobicContact CG1-CB 3.91Å | ||
| 1817 | R | 79.7 | Confident | 82.8 | Confident | 187.8 Ų | 187.8 | 61.4 Ų | 61.4 | 71% | 0.709 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.2 | 169.5 | -67.9 | -173.8 | 176.8 | 176.6 | -0.2 | 108.5 | K1815 L1822 | K1815-R1817 PolarHBondContact O-N 3.24Å; R1817-L1822 HydrophobicContact CG-CD2 4.16Å |
| 1818 | I | 80.4 | Confident | 82.2 | Confident | 17.2 Ų | 17.2 | 62.8 Ų | 62.8 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 96.8 | -179.6 | -59.4 | 172.3 | 0 | 0 | 0 | 106.5 | V1816 H1820 Y1821 L1823 L2008 D2011 V2012 A2015 | V1816-I1818 HydrophobicContact CG1-CD1 4.38Å; V1816-I1818 HydrophobicContact CG1-CG1 3.9Å; I1818-H1820 PolarHBondContact O-N 3.13Å; I1818-H1820 VanDerWaalsContact O-N 3.1Å; I1818-Y1821 PolarHBondContact N-O 3.04Å; I1818-Y1821 WeakPolarHBondContact O-CA 3.44Å; I1818-Y1821 WeakPolarHBondContact O-CB 3.33Å; I1818-Y1821 WeakPolarHBondContact O-CD2 3.35Å; I1818-Y1821 PolarHBondContact O-N 3.34Å; I1818-L1823 HydrophobicContact CD1-CD1 4.11Å; I1818-L1823 HydrophobicContact CG1-CD1 4.42Å; I1818-L2008 HydrophobicContact CG2-CD1 4.21Å; I1818-D2011 HydrophobicContact CG2-CB 3.54Å; I1818-V2012 HydrophobicContact CD1-CB 4.08Å; I1818-V2012 HydrophobicContact CD1-CG2 3.36Å; I1818-A2015 HydrophobicContact CD1-CB 3.9Å; I1818-A2015 HydrophobicContact CG1-CB 4.33Å |
| 1819 | S | 78.6 | Confident | 82.1 | Confident | 100.2 Ų | 100.2 | 65.9 Ų | 65.9 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -112.6 | -175.8 | -158.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1820 | H | 76 | Confident | 81.9 | Confident | 37.8 Ų | 37.8 | 67.2 Ų | 67.2 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 14.4 | 179.2 | 40.5 | -74.7 | 0 | 0 | 0 | 113.1 | I1818 D1836 F1839 E1979 | I1818-H1820 PolarHBondContact O-N 3.13Å; I1818-H1820 VanDerWaalsContact O-N 3.1Å; H1820-D1836 WeakPolarHBondContact O-CB 3.32Å; H1820-D1836 PolarHBondContact O-N 3.21Å; H1820-F1839 HydrophobicContact CB-CB 4.07Å; H1820-F1839 HydrophobicContact CB-CD1 3.94Å; H1820-F1839 HydrophobicContact CB-CD2 3.78Å; H1820-F1839 HydrophobicContact CB-CE1 4.22Å; H1820-F1839 HydrophobicContact CB-CE2 4.05Å; H1820-F1839 HydrophobicContact CB-CG 3.65Å; H1820-F1839 HydrophobicContact CB-CZ 4.29Å; H1820-F1839 AromaticContact CD2-CD1 3.75Å; H1820-F1839 AromaticContact CD2-CE1 3.72Å; H1820-F1839 AromaticContact CE1-CD1 3.91Å; H1820-F1839 AromaticContact CE1-CE1 3.2Å; H1820-F1839 WeakPolarHBondContact CE1-CE1 3.31Å; H1820-F1839 AromaticContact CE1-CE2 3.72Å; H1820-F1839 AromaticContact CE1-CZ 3.1Å; H1820-F1839 WeakPolarHBondContact CE1-CZ 3.47Å; H1820-F1839 AromaticContact CG-CD1 3.85Å; H1820-F1839 AromaticContact CG-CE1 3.83Å; H1820-F1839 AromaticContact CG-CG 3.8Å; H1820-F1839 AromaticContact CG-CZ 3.95Å; H1820-F1839 AromaticContact ND1-CD1 3.51Å; H1820-F1839 AromaticContact ND1-CD2 3.45Å; H1820-F1839 WeakPolarHBondContact ND1-CD2 3.49Å; H1820-F1839 AromaticContact ND1-CE1 3.2Å; H1820-F1839 WeakPolarHBondContact ND1-CE1 3.14Å; H1820-F1839 AromaticContact ND1-CE2 3.15Å; H1820-F1839 WeakPolarHBondContact ND1-CE2 3.41Å; H1820-F1839 AromaticContact ND1-CG 3.63Å; H1820-F1839 AromaticContact ND1-CZ 3.03Å; H1820-F1839 WeakPolarHBondContact ND1-CZ 3.17Å; H1820-F1839 AromaticContact NE2-CE1 3.77Å; H1820-E1979 IonicContact NE2-OE1 2.79Å |
| 1821 | Y | 81.6 | Confident | 81.9 | Confident | 20.4 Ų | 20.4 | 65.8 Ų | 65.8 | 8% | 0.08 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.3 | 179.3 | -57.5 | -84.9 | 0 | 0 | 0 | 111.5 | I1818 V1833 T1834 V1835 F1982 H2005 L2008 | I1818-Y1821 PolarHBondContact N-O 3.04Å; I1818-Y1821 WeakPolarHBondContact O-CA 3.44Å; I1818-Y1821 WeakPolarHBondContact O-CB 3.33Å; I1818-Y1821 WeakPolarHBondContact O-CD2 3.35Å; I1818-Y1821 PolarHBondContact O-N 3.34Å; Y1821-V1833 HydrophobicContact CD1-CG1 4.31Å; Y1821-V1833 HydrophobicContact CG-CG1 4.36Å; Y1821-T1834 CarbonylContact C-O 3.56Å; Y1821-T1834 WeakPolarHBondContact CA-O 3.43Å; Y1821-V1835 HydrophobicContact CD1-CG2 3.94Å; Y1821-V1835 HydrophobicContact CE1-CG2 3.69Å; Y1821-F1982 HydrophobicContact CD1-CE1 4.43Å; Y1821-F1982 AromaticContact CD1-CZ 3.91Å; Y1821-F1982 HydrophobicContact CD1-CZ 3.91Å; Y1821-F1982 AromaticContact CE1-CE1 3.8Å; Y1821-F1982 HydrophobicContact CE1-CE1 3.8Å; Y1821-F1982 AromaticContact CE1-CZ 3.64Å; Y1821-F1982 HydrophobicContact CE1-CZ 3.64Å; Y1821-H2005 PolarHBondContact OH-ND1 3.02Å; Y1821-L2008 HydrophobicContact CD1-CD1 4.16Å; Y1821-L2008 HydrophobicContact CD1-CD2 3.91Å; Y1821-L2008 HydrophobicContact CD2-CD1 3.45Å; Y1821-L2008 VanDerWaalsContact CD2-CD1 3.45Å; Y1821-L2008 HydrophobicContact CD2-CD2 4.41Å; Y1821-L2008 HydrophobicContact CD2-CG 4.43Å; Y1821-L2008 HydrophobicContact CE1-CD1 4.4Å; Y1821-L2008 HydrophobicContact CE1-CD2 3.69Å; Y1821-L2008 HydrophobicContact CE2-CB 4.45Å; Y1821-L2008 HydrophobicContact CE2-CD1 3.82Å; Y1821-L2008 HydrophobicContact CE2-CD2 4.21Å; Y1821-L2008 HydrophobicContact CE2-CG 4.38Å; Y1821-L2008 HydrophobicContact CG-CD1 3.63Å; Y1821-L2008 HydrophobicContact CG-CD2 4.25Å |
| 1822 | L | 79.7 | Confident | 82 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136.6 | -179 | -62.7 | 173.5 | 0 | 0 | 0 | 110.2 | R1817 N1824 V1833 T1834 D1836 | R1817-L1822 HydrophobicContact CG-CD2 4.16Å; L1822-N1824 PolarHBondContact O-N 2.86Å; L1822-V1833 WeakPolarHBondContact O-CA 3.33Å; L1822-T1834 PolarHBondContact N-O 3.37Å; L1822-T1834 PolarHBondContact O-N 3.1Å; L1822-D1836 HydrophobicContact CD1-CB 3.86Å; L1822-D1836 HydrophobicContact CG-CB 4.06Å |
| 1823 | L | 83.1 | Confident | 81.9 | Confident | 15.4 Ų | 15.4 | 58.7 Ų | 58.7 | 8% | 0.081 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 101 | 170.8 | -112.3 | 83.9 | 0 | 0 | 0 | 109.5 | L1813 I1818 L1831 V1833 L1986 | L1813-L1823 HydrophobicContact CD1-CD2 4.08Å; L1813-L1823 HydrophobicContact CD2-CD2 4.17Å; L1813-L1823 HydrophobicContact CG-CD2 3.85Å; I1818-L1823 HydrophobicContact CD1-CD1 4.11Å; I1818-L1823 HydrophobicContact CG1-CD1 4.42Å; L1823-L1831 HydrophobicContact CD1-CB 4.09Å; L1823-L1831 HydrophobicContact CD2-CB 4.39Å; L1823-L1831 HydrophobicContact CD2-CD1 4.22Å; L1823-L1831 HydrophobicContact CD2-CD2 4.18Å; L1823-L1831 HydrophobicContact CD2-CG 4.49Å; L1823-L1831 HydrophobicContact CG-CB 4.2Å; L1823-L1831 HydrophobicContact CG-CD2 4.11Å; L1823-V1833 HydrophobicContact CD1-CG2 3.65Å; L1823-V1833 HydrophobicContact CD2-CG2 4.25Å; L1823-V1833 HydrophobicContact CG-CG2 4.08Å; L1823-L1986 HydrophobicContact CD1-CD1 3.84Å; L1823-L1986 HydrophobicContact CD1-CG 4.35Å; L1823-L1986 HydrophobicContact CD2-CD1 3.84Å; L1823-L1986 VanDerWaalsContact CD2-CD1 3.49Å; L1823-L1986 HydrophobicContact CG-CD1 4.41Å |
| 1824 | N | 82.6 | Confident | 81.7 | Confident | 66.2 Ų | 66.2 | 60 Ų | 60 | 35% | 0.354 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.2 | -178.5 | -75.8 | -26.9 | 0 | 0 | 0 | 110.8 | L1822 F1826 L1831 I1832 T1834 | L1822-N1824 PolarHBondContact O-N 2.86Å; N1824-F1826 HydrophobicContact CB-CD2 4.28Å; N1824-F1826 HydrophobicContact CB-CE2 3.74Å; N1824-F1826 WeakPolarHBondContact O-CD2 3.37Å; N1824-L1831 CarbonylContact O-C 3.53Å; N1824-L1831 VanDerWaalsContact O-CA 3.31Å; N1824-L1831 WeakPolarHBondContact O-CA 3.25Å; N1824-I1832 PolarHBondContact N-O 3.09Å; N1824-I1832 PolarHBondContact O-N 3.17Å; N1824-T1834 PolarHBondContact ND2-OG1 3.08Å |
| 1825 | Q | 82.8 | Confident | 81.4 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.2 | 175.4 | -171.2 | -175.7 | 6.9 | 0 | 0 | 109.7 | K1814 S1827 L1831 | K1814-Q1825 VanDerWaalsContact CE-CD 3.49Å; K1814-Q1825 VanDerWaalsContact NZ-CD 3.33Å; Q1825-S1827 WeakPolarHBondContact CG-O 3.3Å; Q1825-S1827 PolarHBondContact NE2-O 3.26Å; Q1825-L1831 HydrophobicContact CB-CD2 3.83Å; Q1825-L1831 HydrophobicContact CG-CD2 4.26Å |
| 1826 | F | 75.7 | Confident | 80.9 | Confident | 77.4 Ų | 77.4 | 50.6 Ų | 50.6 | 34% | 0.339 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -101.7 | -26.8 | 177.3 | -78.5 | -98.9 | 0 | 0 | 0 | 112.3 | I1763 I1768 N1824 Y1830 I1832 | I1763-F1826 HydrophobicContact CB-CD1 4.22Å; I1763-F1826 HydrophobicContact CB-CE1 3.94Å; I1763-F1826 HydrophobicContact CD1-CE1 4.31Å; I1763-F1826 HydrophobicContact CD1-CZ 4.39Å; I1763-F1826 HydrophobicContact CG1-CE1 4.5Å; I1763-F1826 HydrophobicContact CG2-CD1 4.44Å; I1768-F1826 HydrophobicContact CD1-CB 3.79Å; I1768-F1826 HydrophobicContact CD1-CG 4.38Å; N1824-F1826 HydrophobicContact CB-CD2 4.28Å; N1824-F1826 HydrophobicContact CB-CE2 3.74Å; N1824-F1826 WeakPolarHBondContact O-CD2 3.37Å; F1826-Y1830 PolarHBondContact N-O 3.27Å; F1826-Y1830 VanDerWaalsContact N-O 3.07Å; F1826-I1832 HydrophobicContact CB-CD1 4.4Å; F1826-I1832 HydrophobicContact CD1-CD1 4.37Å; F1826-I1832 HydrophobicContact CD2-CB 3.78Å; F1826-I1832 HydrophobicContact CD2-CD1 3.58Å; F1826-I1832 HydrophobicContact CD2-CG1 3.63Å; F1826-I1832 HydrophobicContact CE2-CB 3.71Å; F1826-I1832 HydrophobicContact CE2-CD1 3.86Å; F1826-I1832 HydrophobicContact CE2-CG1 4.02Å; F1826-I1832 HydrophobicContact CE2-CG2 4.47Å; F1826-I1832 HydrophobicContact CG-CD1 3.88Å; F1826-I1832 HydrophobicContact CG-CG1 4.3Å; F1826-I1832 HydrophobicContact CZ-CD1 4.38Å |
| 1827 | S | 78 | Confident | 80.1 | Confident | 27.2 Ų | 27.2 | 52.3 Ų | 52.3 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -148.7 | 179.4 | 172.2 | 74.3 | 0 | 0 | 0 | 0 | 110.8 | Q1825 N1829 Y1830 | Q1825-S1827 WeakPolarHBondContact CG-O 3.3Å; Q1825-S1827 PolarHBondContact NE2-O 3.26Å; S1827-N1829 PolarHBondContact O-N 3.22Å; S1827-N1829 PolarHBondContact OG-N 3.07Å; S1827-Y1830 PolarHBondContact N-O 3.26Å; S1827-Y1830 WeakPolarHBondContact OG-CB 3.39Å; S1827-Y1830 VanDerWaalsContact OG-CD2 3.29Å; S1827-Y1830 WeakPolarHBondContact OG-CD2 3.35Å; S1827-Y1830 PolarHBondContact OG-N 3.25Å; S1827-Y1830 VanDerWaalsContact OG-N 3.11Å |
| 1828 | D | 74.5 | Confident | 79.6 | Confident | 136 Ų | 136 | 50.8 Ų | 50.8 | 73% | 0.727 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -59 | -30.9 | 176.1 | -67.4 | -27.4 | 0 | 0 | 0 | 112.9 | ||
| 1829 | N | 83.2 | Confident | 78.7 | Confident | 89.2 Ų | 89.2 | 52.1 Ų | 52.1 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -107.2 | -14.7 | -175.1 | -60.3 | -23.1 | 0 | 0 | 0 | 113.9 | S1827 C1987 I1988 | S1827-N1829 PolarHBondContact O-N 3.22Å; S1827-N1829 PolarHBondContact OG-N 3.07Å; N1829-C1987 CarbonylContact O-C 3.53Å; N1829-C1987 VanDerWaalsContact O-CA 3.31Å; N1829-C1987 WeakPolarHBondContact O-CA 3.37Å; N1829-I1988 PolarHBondContact O-N 2.99Å |
| 1830 | Y | 87.2 | Confident | 77.9 | Confident | 26.6 Ų | 26.6 | 50.1 Ų | 50.1 | 10% | 0.104 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.4 | -173.2 | -63.3 | -71.5 | 0 | 0 | 0 | 113.1 | V1765 I1768 E1769 V1772 F1826 S1827 I1985 L1986 C1987 | V1765-Y1830 HydrophobicContact CG1-CD2 4.4Å; V1765-Y1830 HydrophobicContact CG1-CE2 4.2Å; I1768-Y1830 HydrophobicContact CG2-CD1 3.72Å; I1768-Y1830 HydrophobicContact CG2-CD2 4.01Å; I1768-Y1830 HydrophobicContact CG2-CE1 3.98Å; I1768-Y1830 HydrophobicContact CG2-CE2 4.31Å; I1768-Y1830 HydrophobicContact CG2-CG 3.74Å; E1769-Y1830 HydrophobicContact CG-CE2 4.41Å; V1772-Y1830 HydrophobicContact CG2-CE1 4.43Å; F1826-Y1830 PolarHBondContact N-O 3.27Å; F1826-Y1830 VanDerWaalsContact N-O 3.07Å; S1827-Y1830 PolarHBondContact N-O 3.26Å; S1827-Y1830 WeakPolarHBondContact OG-CB 3.39Å; S1827-Y1830 VanDerWaalsContact OG-CD2 3.29Å; S1827-Y1830 WeakPolarHBondContact OG-CD2 3.35Å; S1827-Y1830 PolarHBondContact OG-N 3.25Å; S1827-Y1830 VanDerWaalsContact OG-N 3.11Å; Y1830-I1985 HydrophobicContact CD1-CG2 4Å; Y1830-L1986 WeakPolarHBondContact CA-O 3.36Å; Y1830-C1987 HydrophobicContact CD1-CB 3.83Å; Y1830-C1987 HydrophobicContact CE1-CB 3.62Å; Y1830-C1987 WeakPolarHBondContact CE1-SG 3.3Å |
| 1831 | L | 87.5 | Confident | 76.9 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136.8 | 167.9 | -65.3 | 142.9 | 0 | 0 | 0 | 109 | L1813 K1814 L1823 N1824 Q1825 I1985 L1986 I1988 | L1813-L1831 HydrophobicContact CD2-CD1 3.93Å; K1814-L1831 HydrophobicContact CG-CD2 4.14Å; L1823-L1831 HydrophobicContact CD1-CB 4.09Å; L1823-L1831 HydrophobicContact CD2-CB 4.39Å; L1823-L1831 HydrophobicContact CD2-CD1 4.22Å; L1823-L1831 HydrophobicContact CD2-CD2 4.18Å; L1823-L1831 HydrophobicContact CD2-CG 4.49Å; L1823-L1831 HydrophobicContact CG-CB 4.2Å; L1823-L1831 HydrophobicContact CG-CD2 4.11Å; N1824-L1831 CarbonylContact O-C 3.53Å; N1824-L1831 VanDerWaalsContact O-CA 3.31Å; N1824-L1831 WeakPolarHBondContact O-CA 3.25Å; Q1825-L1831 HydrophobicContact CB-CD2 3.83Å; Q1825-L1831 HydrophobicContact CG-CD2 4.26Å; L1831-I1985 CarbonylContact O-C 3.58Å; L1831-I1985 WeakPolarHBondContact O-CA 3.34Å; L1831-L1986 HydrophobicContact CB-CB 4.2Å; L1831-L1986 HydrophobicContact CB-CD1 4.46Å; L1831-L1986 PolarHBondContact N-O 3.2Å; L1831-L1986 PolarHBondContact O-N 3.04Å; L1831-I1988 HydrophobicContact CD1-CD1 3.66Å |
| 1832 | I | 87.4 | Confident | 75.6 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.6 | 178.7 | -53.1 | -179.3 | 0 | 0 | 0 | 108.6 | I1763 I1768 N1824 F1826 T1834 W1983 L1984 I1985 | I1763-I1832 HydrophobicContact CG2-CD1 4.38Å; I1768-I1832 HydrophobicContact CD1-CD1 3.81Å; I1768-I1832 HydrophobicContact CG1-CD1 3.9Å; N1824-I1832 PolarHBondContact N-O 3.09Å; N1824-I1832 PolarHBondContact O-N 3.17Å; F1826-I1832 HydrophobicContact CB-CD1 4.4Å; F1826-I1832 HydrophobicContact CD1-CD1 4.37Å; F1826-I1832 HydrophobicContact CD2-CB 3.78Å; F1826-I1832 HydrophobicContact CD2-CD1 3.58Å; F1826-I1832 HydrophobicContact CD2-CG1 3.63Å; F1826-I1832 HydrophobicContact CE2-CB 3.71Å; F1826-I1832 HydrophobicContact CE2-CD1 3.86Å; F1826-I1832 HydrophobicContact CE2-CG1 4.02Å; F1826-I1832 HydrophobicContact CE2-CG2 4.47Å; F1826-I1832 HydrophobicContact CG-CD1 3.88Å; F1826-I1832 HydrophobicContact CG-CG1 4.3Å; F1826-I1832 HydrophobicContact CZ-CD1 4.38Å; I1832-T1834 HydrophobicContact CG2-CG2 4.25Å; I1832-W1983 HydrophobicContact CD1-CZ3 4.25Å; I1832-W1983 HydrophobicContact CG2-CE3 4.43Å; I1832-W1983 HydrophobicContact CG2-CZ3 4.44Å; I1832-L1984 WeakPolarHBondContact CA-O 3.26Å; I1832-I1985 HydrophobicContact CG1-CG1 4.33Å; I1832-I1985 HydrophobicContact CG1-CG2 4.47Å |
| 1833 | V | 86.6 | Confident | 74.4 | Confident | 1.6 Ų | 1.6 | 55.3 Ų | 55.3 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 120.9 | 174.6 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | Y1821 L1822 L1823 F1982 L1984 L2008 V2012 | Y1821-V1833 HydrophobicContact CD1-CG1 4.31Å; Y1821-V1833 HydrophobicContact CG-CG1 4.36Å; L1822-V1833 WeakPolarHBondContact O-CA 3.33Å; L1823-V1833 HydrophobicContact CD1-CG2 3.65Å; L1823-V1833 HydrophobicContact CD2-CG2 4.25Å; L1823-V1833 HydrophobicContact CG-CG2 4.08Å; V1833-F1982 HydrophobicContact CG1-CE2 4.41Å; V1833-L1984 HydrophobicContact CB-CB 4.02Å; V1833-L1984 HydrophobicContact CB-CD2 3.86Å; V1833-L1984 HydrophobicContact CB-CG 4.09Å; V1833-L1984 HydrophobicContact CG1-CD2 4.26Å; V1833-L1984 HydrophobicContact CG2-CB 4.23Å; V1833-L1984 HydrophobicContact CG2-CD2 3.57Å; V1833-L1984 VanDerWaalsContact CG2-CD2 3.5Å; V1833-L1984 HydrophobicContact CG2-CG 3.77Å; V1833-L1984 PolarHBondContact N-O 3.12Å; V1833-L2008 HydrophobicContact CG1-CD1 4.32Å; V1833-L2008 HydrophobicContact CG1-CD2 4.4Å; V1833-V2012 HydrophobicContact CG2-CG2 4.37Å |
| 1834 | T | 81.7 | Confident | 73.1 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.9 | 179.3 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | Y1821 L1822 N1824 I1832 | Y1821-T1834 CarbonylContact C-O 3.56Å; Y1821-T1834 WeakPolarHBondContact CA-O 3.43Å; L1822-T1834 PolarHBondContact N-O 3.37Å; L1822-T1834 PolarHBondContact O-N 3.1Å; N1824-T1834 PolarHBondContact ND2-OG1 3.08Å; I1832-T1834 HydrophobicContact CG2-CG2 4.25Å |
| 1835 | V | 77.5 | Confident | 71.6 | Confident | 26.4 Ų | 26.4 | 63.7 Ų | 63.7 | 16% | 0.16 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.3 | 173.2 | -177 | 0 | 0 | 0 | 0 | 109.4 | Y1821 S1837 F1839 I1840 F1982 | Y1821-V1835 HydrophobicContact CD1-CG2 3.94Å; Y1821-V1835 HydrophobicContact CE1-CG2 3.69Å; V1835-S1837 PolarHBondContact O-N 3.3Å; V1835-F1839 HydrophobicContact CG1-CD1 4.48Å; V1835-I1840 HydrophobicContact CB-CD1 4.13Å; V1835-I1840 HydrophobicContact CG1-CD1 3.8Å; V1835-I1840 HydrophobicContact CG1-CG1 3.78Å; V1835-F1982 HydrophobicContact CG2-CE1 4.25Å; V1835-F1982 HydrophobicContact CG2-CZ 4.3Å |
| 1836 | D | 73 | Confident | 70.1 | Confident | 36.8 Ų | 36.8 | 67.6 Ų | 67.6 | 20% | 0.197 | 33% | 0.331 | C | S | . | . | trans | -63 | 120.2 | 173.4 | -170.4 | -17.2 | 0 | 0 | 0 | 109.8 | H1820 L1822 K1838 F1839 I1840 | H1820-D1836 WeakPolarHBondContact O-CB 3.32Å; H1820-D1836 PolarHBondContact O-N 3.21Å; L1822-D1836 HydrophobicContact CD1-CB 3.86Å; L1822-D1836 HydrophobicContact CG-CB 4.06Å; D1836-K1838 PolarHBondContact O-N 2.97Å; D1836-K1838 VanDerWaalsContact O-N 3.13Å; D1836-K1838 WeakPolarHBondContact OD1-CB 3.38Å; D1836-K1838 PolarHBondContact OD1-N 3.25Å; D1836-K1838 VanDerWaalsContact OD1-N 3.08Å; D1836-F1839 HydrophobicContact CB-CB 4.43Å; D1836-F1839 VanDerWaalsContact O-CB 3.31Å; D1836-F1839 WeakPolarHBondContact O-CB 3.45Å; D1836-F1839 PolarHBondContact O-N 3.17Å; D1836-I1840 PolarHBondContact O-N 3.04Å | ||
| 1837 | S | 66.4 | Low | 68.8 | Low | 71.6 Ų | 71.6 | 68.3 Ų | 68.3 | 50% | 0.501 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.7 | -32.4 | -179.3 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | V1835 F1839 I1840 D1841 | V1835-S1837 PolarHBondContact O-N 3.3Å; S1837-F1839 PolarHBondContact O-N 3.07Å; S1837-I1840 PolarHBondContact O-N 3.05Å; S1837-D1841 PolarHBondContact O-N 3.01Å |
| 1838 | K | 68.1 | Low | 67.2 | Low | 156.8 Ų | 156.8 | 71.9 Ų | 71.9 | 68% | 0.682 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.8 | -30.9 | 177.5 | -63.8 | 178.9 | -178.8 | 179.3 | 0 | 112.4 | D1836 A1842 | D1836-K1838 PolarHBondContact O-N 2.97Å; D1836-K1838 VanDerWaalsContact O-N 3.13Å; D1836-K1838 WeakPolarHBondContact OD1-CB 3.38Å; D1836-K1838 PolarHBondContact OD1-N 3.25Å; D1836-K1838 VanDerWaalsContact OD1-N 3.08Å; K1838-A1842 VanDerWaalsContact O-CB 3.26Å; K1838-A1842 WeakPolarHBondContact O-CB 3.35Å; K1838-A1842 PolarHBondContact O-N 2.93Å |
| 1839 | F | 62.3 | Low | 65.9 | Low | 44.4 Ų | 44.4 | 68.7 Ų | 68.7 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74.9 | -39.1 | 178.1 | -164.4 | -96.1 | 0 | 0 | 0 | 111.7 | H1820 V1835 D1836 S1837 D1841 A1842 R1843 I1964 | H1820-F1839 HydrophobicContact CB-CB 4.07Å; H1820-F1839 HydrophobicContact CB-CD1 3.94Å; H1820-F1839 HydrophobicContact CB-CD2 3.78Å; H1820-F1839 HydrophobicContact CB-CE1 4.22Å; H1820-F1839 HydrophobicContact CB-CE2 4.05Å; H1820-F1839 HydrophobicContact CB-CG 3.65Å; H1820-F1839 HydrophobicContact CB-CZ 4.29Å; H1820-F1839 AromaticContact CD2-CD1 3.75Å; H1820-F1839 AromaticContact CD2-CE1 3.72Å; H1820-F1839 AromaticContact CE1-CD1 3.91Å; H1820-F1839 AromaticContact CE1-CE1 3.2Å; H1820-F1839 WeakPolarHBondContact CE1-CE1 3.31Å; H1820-F1839 AromaticContact CE1-CE2 3.72Å; H1820-F1839 AromaticContact CE1-CZ 3.1Å; H1820-F1839 WeakPolarHBondContact CE1-CZ 3.47Å; H1820-F1839 AromaticContact CG-CD1 3.85Å; H1820-F1839 AromaticContact CG-CE1 3.83Å; H1820-F1839 AromaticContact CG-CG 3.8Å; H1820-F1839 AromaticContact CG-CZ 3.95Å; H1820-F1839 AromaticContact ND1-CD1 3.51Å; H1820-F1839 AromaticContact ND1-CD2 3.45Å; H1820-F1839 WeakPolarHBondContact ND1-CD2 3.49Å; H1820-F1839 AromaticContact ND1-CE1 3.2Å; H1820-F1839 WeakPolarHBondContact ND1-CE1 3.14Å; H1820-F1839 AromaticContact ND1-CE2 3.15Å; H1820-F1839 WeakPolarHBondContact ND1-CE2 3.41Å; H1820-F1839 AromaticContact ND1-CG 3.63Å; H1820-F1839 AromaticContact ND1-CZ 3.03Å; H1820-F1839 WeakPolarHBondContact ND1-CZ 3.17Å; H1820-F1839 AromaticContact NE2-CE1 3.77Å; V1835-F1839 HydrophobicContact CG1-CD1 4.48Å; D1836-F1839 HydrophobicContact CB-CB 4.43Å; D1836-F1839 VanDerWaalsContact O-CB 3.31Å; D1836-F1839 WeakPolarHBondContact O-CB 3.45Å; D1836-F1839 PolarHBondContact O-N 3.17Å; S1837-F1839 PolarHBondContact O-N 3.07Å; F1839-D1841 VanDerWaalsContact C-N 3.34Å; F1839-D1841 PolarHBondContact O-N 3.25Å; F1839-A1842 PolarHBondContact O-N 3.23Å; F1839-R1843 PolarHBondContact O-N 2.83Å; F1839-R1843 VanDerWaalsContact O-N 3.09Å; F1839-I1964 HydrophobicContact CE2-CD1 4.09Å; F1839-I1964 HydrophobicContact CZ-CD1 4.31Å |
| 1840 | I | 60.8 | Low | 64 | Low | 57 Ų | 57 | 68.2 Ų | 68.2 | 29% | 0.292 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.2 | -59.9 | 174.4 | 0 | 0 | 0 | 110 | V1835 D1836 S1837 A1842 R1843 R1844 | V1835-I1840 HydrophobicContact CB-CD1 4.13Å; V1835-I1840 HydrophobicContact CG1-CD1 3.8Å; V1835-I1840 HydrophobicContact CG1-CG1 3.78Å; D1836-I1840 PolarHBondContact O-N 3.04Å; S1837-I1840 PolarHBondContact O-N 3.05Å; I1840-A1842 PolarHBondContact O-N 3.35Å; I1840-R1843 PolarHBondContact O-N 3.27Å; I1840-R1844 HydrophobicContact CG2-CG 4.41Å; I1840-R1844 WeakPolarHBondContact O-CB 3.39Å; I1840-R1844 WeakPolarHBondContact O-CG 3.44Å; I1840-R1844 PolarHBondContact O-N 3.27Å |
| 1841 | D | 55.5 | Low | 61.9 | Low | 79 Ų | 79 | 73.1 Ų | 73.1 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 178.3 | -71.6 | -24.5 | 0 | 0 | 0 | 111.8 | S1837 F1839 R1843 R1844 I1845 | S1837-D1841 PolarHBondContact O-N 3.01Å; F1839-D1841 VanDerWaalsContact C-N 3.34Å; F1839-D1841 PolarHBondContact O-N 3.25Å; D1841-R1843 VanDerWaalsContact C-N 3.31Å; D1841-R1843 PolarHBondContact O-N 3.07Å; D1841-R1844 PolarHBondContact O-N 3.18Å; D1841-I1845 HydrophobicContact CB-CD1 4.43Å; D1841-I1845 VanDerWaalsContact O-CB 3.28Å; D1841-I1845 WeakPolarHBondContact O-CB 3.34Å; D1841-I1845 WeakPolarHBondContact O-CD1 3.31Å; D1841-I1845 WeakPolarHBondContact O-CG1 3.35Å; D1841-I1845 PolarHBondContact O-N 2.94Å |
| 1842 | A | 53.7 | Low | 59.7 | Low | 45.8 Ų | 45.8 | 79.2 Ų | 79.2 | 38% | 0.379 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1838 F1839 I1840 R1846 | K1838-A1842 VanDerWaalsContact O-CB 3.26Å; K1838-A1842 WeakPolarHBondContact O-CB 3.35Å; K1838-A1842 PolarHBondContact O-N 2.93Å; F1839-A1842 PolarHBondContact O-N 3.23Å; I1840-A1842 PolarHBondContact O-N 3.35Å; A1842-R1846 WeakPolarHBondContact O-CB 3.28Å; A1842-R1846 PolarHBondContact O-N 3.08Å |
| 1843 | R | 55.6 | Low | 57.3 | Low | 86.2 Ų | 86.2 | 87.1 Ų | 87.1 | 33% | 0.325 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.9 | -42.4 | 175.6 | -115.5 | -179.5 | -171.9 | 167.5 | 4.9 | 111.7 | F1839 I1840 D1841 I1845 R1846 R1847 E1979 | F1839-R1843 PolarHBondContact O-N 2.83Å; F1839-R1843 VanDerWaalsContact O-N 3.09Å; I1840-R1843 PolarHBondContact O-N 3.27Å; D1841-R1843 VanDerWaalsContact C-N 3.31Å; D1841-R1843 PolarHBondContact O-N 3.07Å; R1843-I1845 VanDerWaalsContact C-N 3.33Å; R1843-R1846 PolarHBondContact O-N 2.89Å; R1843-R1847 PolarHBondContact O-N 3.21Å; R1843-R1847 VanDerWaalsContact O-N 3.12Å; R1843-E1979 IonicContact CZ-OE1 3.25Å; R1843-E1979 IonicContact CZ-OE2 2.86Å; R1843-E1979 VanDerWaalsContact NH1-CD 3.26Å; R1843-E1979 IonicContact NH1-OE1 3.29Å; R1843-E1979 PolarHBondContact NH1-OE1 3.14Å; R1843-E1979 IonicContact NH1-OE2 3.24Å; R1843-E1979 PolarHBondContact NH1-OE2 3.06Å; R1843-E1979 IonicContact NH2-OE1 3.43Å |
| 1844 | R | 54.1 | Low | 54.6 | Low | 146.2 Ų | 146.2 | 94 Ų | 94 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 174.1 | -81.2 | -177.3 | 177 | 178.2 | -0.9 | 111.7 | I1840 D1841 R1847 L1848 | I1840-R1844 HydrophobicContact CG2-CG 4.41Å; I1840-R1844 WeakPolarHBondContact O-CB 3.39Å; I1840-R1844 WeakPolarHBondContact O-CG 3.44Å; I1840-R1844 PolarHBondContact O-N 3.27Å; D1841-R1844 PolarHBondContact O-N 3.18Å; R1844-R1847 PolarHBondContact O-N 3.2Å; R1844-L1848 WeakPolarHBondContact O-CB 3.38Å; R1844-L1848 WeakPolarHBondContact O-CD1 3.37Å; R1844-L1848 VanDerWaalsContact O-CG 3.3Å; R1844-L1848 WeakPolarHBondContact O-CG 3.33Å; R1844-L1848 PolarHBondContact O-N 3.1Å |
| 1845 | I | 52.6 | Low | 52.1 | Low | 110.8 Ų | 110.8 | 103.4 Ų | 103.4 | 57% | 0.568 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 179.1 | -67.5 | 164 | 0 | 0 | 0 | 111.2 | D1841 R1843 R1847 L1848 S1849 | D1841-I1845 HydrophobicContact CB-CD1 4.43Å; D1841-I1845 VanDerWaalsContact O-CB 3.28Å; D1841-I1845 WeakPolarHBondContact O-CB 3.34Å; D1841-I1845 WeakPolarHBondContact O-CD1 3.31Å; D1841-I1845 WeakPolarHBondContact O-CG1 3.35Å; D1841-I1845 PolarHBondContact O-N 2.94Å; R1843-I1845 VanDerWaalsContact C-N 3.33Å; I1845-R1847 VanDerWaalsContact C-N 3.3Å; I1845-R1847 PolarHBondContact O-N 2.96Å; I1845-L1848 PolarHBondContact O-N 2.96Å; I1845-S1849 VanDerWaalsContact O-CB 3.22Å; I1845-S1849 WeakPolarHBondContact O-CB 3.33Å; I1845-S1849 PolarHBondContact O-N 3.16Å; I1845-S1849 PolarHBondContact O-OG 2.8Å |
| 1846 | R | 51.2 | Low | 49.9 | Very low | 166.2 Ų | 166.2 | 107.9 Ų | 107.9 | 63% | 0.627 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61 | -39.2 | 174.9 | -115.8 | -178 | -166.2 | 152.2 | 3.3 | 112.4 | A1842 R1843 S1849 S1850 C1961 | A1842-R1846 WeakPolarHBondContact O-CB 3.28Å; A1842-R1846 PolarHBondContact O-N 3.08Å; R1843-R1846 PolarHBondContact O-N 2.89Å; R1846-S1849 WeakPolarHBondContact O-CB 3.24Å; R1846-S1849 PolarHBondContact O-N 2.98Å; R1846-S1849 PolarHBondContact O-OG 3.2Å; R1846-S1850 PolarHBondContact O-N 3.18Å; R1846-S1850 VanDerWaalsContact O-N 3.11Å; R1846-C1961 PolarHBondContact NH1-O 3.25Å; R1846-C1961 VanDerWaalsContact NH1-O 3.16Å; R1846-C1961 PolarHBondContact NH2-O 2.89Å |
| 1847 | R | 47.7 | Very low | 47.7 | Very low | 92.8 Ų | 92.8 | 117.7 Ų | 117.7 | 35% | 0.35 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.2 | -37.9 | 176.4 | -80.7 | -173.1 | 177.3 | -169.8 | -3.4 | 113.3 | R1843 R1844 I1845 S1849 S1850 M1851 L1971 S1972 D1973 I1976 | R1843-R1847 PolarHBondContact O-N 3.21Å; R1843-R1847 VanDerWaalsContact O-N 3.12Å; R1844-R1847 PolarHBondContact O-N 3.2Å; I1845-R1847 VanDerWaalsContact C-N 3.3Å; I1845-R1847 PolarHBondContact O-N 2.96Å; R1847-S1849 VanDerWaalsContact C-N 3.26Å; R1847-S1849 PolarHBondContact O-N 3.17Å; R1847-S1850 WeakPolarHBondContact CA-OG 3.34Å; R1847-S1850 PolarHBondContact O-N 3.16Å; R1847-S1850 VanDerWaalsContact O-N 3.11Å; R1847-S1850 PolarHBondContact O-OG 3.16Å; R1847-M1851 WeakPolarHBondContact O-CB 3.39Å; R1847-M1851 WeakPolarHBondContact O-CG 3.28Å; R1847-M1851 PolarHBondContact O-N 3.11Å; R1847-L1971 PolarHBondContact NH2-O 3.18Å; R1847-S1972 PolarHBondContact NH2-OG 2.82Å; R1847-D1973 IonicContact CZ-OD1 3.43Å; R1847-D1973 IonicContact NH1-OD1 3.12Å; R1847-D1973 PolarHBondContact NH1-OD1 3.02Å; R1847-D1973 IonicContact NH2-OD1 3.23Å; R1847-D1973 PolarHBondContact NH2-OD1 2.91Å; R1847-I1976 VanDerWaalsContact CZ-CD1 3.42Å; R1847-I1976 VanDerWaalsContact NH1-CD1 3.31Å |
| 1848 | L | 44.8 | Very low | 45.8 | Very low | 101.6 Ų | 101.6 | 120.5 Ų | 120.5 | 53% | 0.532 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.6 | -38.5 | 171.5 | -78.9 | 164.8 | 0 | 0 | 0 | 110.4 | R1844 I1845 S1850 M1851 L1852 | R1844-L1848 WeakPolarHBondContact O-CB 3.38Å; R1844-L1848 WeakPolarHBondContact O-CD1 3.37Å; R1844-L1848 VanDerWaalsContact O-CG 3.3Å; R1844-L1848 WeakPolarHBondContact O-CG 3.33Å; R1844-L1848 PolarHBondContact O-N 3.1Å; I1845-L1848 PolarHBondContact O-N 2.96Å; L1848-S1850 VanDerWaalsContact C-N 3.3Å; L1848-S1850 PolarHBondContact O-N 3.32Å; L1848-M1851 PolarHBondContact O-N 3.2Å; L1848-L1852 HydrophobicContact CB-CD1 4.4Å; L1848-L1852 VanDerWaalsContact O-CB 3.24Å; L1848-L1852 WeakPolarHBondContact O-CB 3.35Å; L1848-L1852 WeakPolarHBondContact O-CD1 3.34Å; L1848-L1852 VanDerWaalsContact O-CG 3.26Å; L1848-L1852 WeakPolarHBondContact O-CG 3.35Å; L1848-L1852 PolarHBondContact O-N 3.16Å; L1848-L1852 VanDerWaalsContact O-N 3.11Å |
| 1849 | S | 46.3 | Very low | 43.6 | Very low | 70.2 Ų | 70.2 | 121.8 Ų | 121.8 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.8 | -33.8 | 173.4 | 136.9 | 0 | 0 | 0 | 0 | 112.9 | I1845 R1846 R1847 | I1845-S1849 VanDerWaalsContact O-CB 3.22Å; I1845-S1849 WeakPolarHBondContact O-CB 3.33Å; I1845-S1849 PolarHBondContact O-N 3.16Å; I1845-S1849 PolarHBondContact O-OG 2.8Å; R1846-S1849 WeakPolarHBondContact O-CB 3.24Å; R1846-S1849 PolarHBondContact O-N 2.98Å; R1846-S1849 PolarHBondContact O-OG 3.2Å; R1847-S1849 VanDerWaalsContact C-N 3.26Å; R1847-S1849 PolarHBondContact O-N 3.17Å |
| 1850 | S | 45 | Very low | 41.8 | Very low | 78.6 Ų | 78.6 | 127.9 Ų | 127.9 | 55% | 0.55 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -76.6 | -30.2 | 175.4 | 68.7 | 0 | 0 | 0 | 0 | 113 | R1846 R1847 L1848 H1853 | R1846-S1850 PolarHBondContact O-N 3.18Å; R1846-S1850 VanDerWaalsContact O-N 3.11Å; R1847-S1850 WeakPolarHBondContact CA-OG 3.34Å; R1847-S1850 PolarHBondContact O-N 3.16Å; R1847-S1850 VanDerWaalsContact O-N 3.11Å; R1847-S1850 PolarHBondContact O-OG 3.16Å; L1848-S1850 VanDerWaalsContact C-N 3.3Å; L1848-S1850 PolarHBondContact O-N 3.32Å; S1850-H1853 PolarHBondContact O-N 3.28Å |
| 1851 | M | 41.6 | Very low | 40.1 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 64% | 0.635 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82.9 | -22.1 | 177 | -68.9 | -145.4 | -141.7 | 0 | 0 | 113.9 | R1847 L1848 H1853 D1854 | R1847-M1851 WeakPolarHBondContact O-CB 3.39Å; R1847-M1851 WeakPolarHBondContact O-CG 3.28Å; R1847-M1851 PolarHBondContact O-N 3.11Å; L1848-M1851 PolarHBondContact O-N 3.2Å; M1851-H1853 PolarHBondContact O-N 3.13Å; M1851-D1854 PolarHBondContact O-N 3.08Å; M1851-D1854 VanDerWaalsContact O-N 3.13Å |
| 1852 | L | 41.2 | Very low | 38.6 | Very low | 130.2 Ų | 130.2 | 139.4 Ų | 139.4 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -3.1 | 177.3 | -80.3 | 165.6 | 0 | 0 | 0 | 113.9 | L1848 D1854 | L1848-L1852 HydrophobicContact CB-CD1 4.4Å; L1848-L1852 VanDerWaalsContact O-CB 3.24Å; L1848-L1852 WeakPolarHBondContact O-CB 3.35Å; L1848-L1852 WeakPolarHBondContact O-CD1 3.34Å; L1848-L1852 VanDerWaalsContact O-CG 3.26Å; L1848-L1852 WeakPolarHBondContact O-CG 3.35Å; L1848-L1852 PolarHBondContact O-N 3.16Å; L1848-L1852 VanDerWaalsContact O-N 3.11Å; L1852-D1854 VanDerWaalsContact C-N 3.31Å |
| 1853 | H | 37 | Very low | 37.2 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 78% | 0.778 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -4.4 | 172.7 | -80 | -35.1 | 0 | 0 | 0 | 115.4 | S1850 M1851 | S1850-H1853 PolarHBondContact O-N 3.28Å; M1851-H1853 PolarHBondContact O-N 3.13Å |
| 1854 | D | 30.6 | Very low | 35.8 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -138.1 | 96.3 | 170.1 | -95.8 | -34.7 | 0 | 0 | 0 | 111.4 | M1851 L1852 | M1851-D1854 PolarHBondContact O-N 3.08Å; M1851-D1854 VanDerWaalsContact O-N 3.13Å; L1852-D1854 VanDerWaalsContact C-N 3.31Å |
| 1855 | R | 28.7 | Very low | 34.3 | Very low | 227.4 Ų | 227.4 | 149.2 Ų | 149.2 | 86% | 0.858 | 73% | 0.727 | S | S | * | * | trans | -138.5 | 124.2 | 161.9 | -122 | -179 | -175.8 | -176.1 | 2 | 112.6 | ||||
| 1856 | P | 32.7 | Very low | 32.9 | Very low | 121.2 Ų | 121.2 | 148.4 Ų | 148.4 | 79% | 0.787 | 74% | 0.737 | S | S | * | * | trans | -95.4 | 144.3 | 155.6 | 22.3 | -9.7 | 0 | 0 | 0 | 112.4 | ||||
| 1857 | R | 26.6 | Very low | 31.7 | Very low | 241.4 Ų | 241.4 | 145.3 Ų | 145.3 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | -50.4 | 126.2 | 178.1 | -65.9 | 172.9 | 172.1 | 172.2 | -3.5 | 114.2 | ||||
| 1858 | C | 25 | Very low | 30.6 | Very low | 130 Ų | 130 | 147 Ų | 147 | 88% | 0.878 | 77% | 0.768 | S | S | * | * | trans | -136.9 | 126.1 | 154.2 | -72.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1859 | H | 23.7 | Very low | 29.6 | Very low | 185.8 Ų | 185.8 | 152.1 Ų | 152.1 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -96.7 | 132.4 | -174.4 | -106.2 | -5 | 0 | 0 | 0 | 112.1 | ||||
| 1860 | E | 23.9 | Very low | 28.5 | Very low | 172.4 Ų | 172.4 | 156.4 Ų | 156.4 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -117 | 130.3 | 168 | -77.3 | 172.5 | 171 | 0 | 0 | 111.9 | ||||
| 1861 | L | 24.5 | Very low | 27.5 | Very low | 179.2 Ų | 179.2 | 156.1 Ų | 156.1 | 94% | 0.938 | 81% | 0.813 | S | S | * | * | trans | -147.6 | 117.2 | 158.6 | -90.3 | 162.7 | 0 | 0 | 0 | 110.4 | ||||
| 1862 | Y | 24.5 | Very low | 26.6 | Very low | 196.4 Ų | 196.4 | 159.2 Ų | 159.2 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -114.9 | 141.9 | -175.6 | -112 | -95.5 | 0 | 0 | 0 | 111.6 | V1864 | Y1862-V1864 HydrophobicContact CD1-CG2 4.32Š| ||
| 1863 | Y | 24.3 | Very low | 25.8 | Very low | 223.6 Ų | 223.6 | 164.9 Ų | 164.9 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | trans | -162.4 | 121.1 | 157.8 | -98.2 | -78.2 | 0 | 0 | 0 | 114.2 | V1865 | Y1863-V1865 HydrophobicContact CD1-CG2 4.37Š| ||
| 1864 | V | 24.9 | Very low | 25.2 | Very low | 124.4 Ų | 124.4 | 162.4 Ų | 162.4 | 75% | 0.754 | 84% | 0.837 | S | S | * | * | trans | -118.2 | 130.8 | 177.4 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | Y1862 | Y1862-V1864 HydrophobicContact CD1-CG2 4.32Š| ||
| 1865 | V | 24.3 | Very low | 25 | Very low | 137.4 Ų | 137.4 | 159.6 Ų | 159.6 | 83% | 0.833 | 83% | 0.834 | S | S | * | * | trans | -127.9 | 123.9 | 164.6 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | Y1863 A1867 | Y1863-V1865 HydrophobicContact CD1-CG2 4.37Å; V1865-A1867 PolarHBondContact O-N 3.46Å | ||
| 1866 | A | 23.3 | Very low | 24.7 | Very low | 94.6 Ų | 94.6 | 160.5 Ų | 160.5 | 78% | 0.782 | 84% | 0.838 | S | S | * | * | trans | -100.6 | 130 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1867 | A | 24.5 | Very low | 24.3 | Very low | 100 Ų | 100 | 164.1 Ų | 164.1 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | trans | -143.8 | 123.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1865 | V1865-A1867 PolarHBondContact O-N 3.46Š| ||
| 1868 | T | 24.4 | Very low | 24.2 | Very low | 129 Ų | 129 | 155.8 Ų | 155.8 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -105.5 | 134.2 | -178.6 | 49 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1869 | F | 24.4 | Very low | 24.2 | Very low | 207.6 Ų | 207.6 | 153.6 Ų | 153.6 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | -160.4 | 133.1 | 146 | -132.3 | -95 | 0 | 0 | 0 | 112.4 | ||||
| 1870 | D | 23.3 | Very low | 24.4 | Very low | 160.8 Ų | 160.8 | 151.8 Ų | 151.8 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -78.7 | 140 | 177.6 | -95.2 | -33.6 | 0 | 0 | 0 | 112.9 | ||||
| 1871 | G | 23.9 | Very low | 24.7 | Very low | 72.6 Ų | 72.6 | 154.2 Ų | 154.2 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | 179.3 | 106.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | W1873 | G1871-W1873 PolarHBondContact O-N 3.23Š| ||
| 1872 | F | 22.1 | Very low | 25.1 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -69 | 129.8 | -178.6 | -149.9 | -96.1 | 0 | 0 | 0 | 113.8 | ||||
| 1873 | W | 24.7 | Very low | 25.6 | Very low | 249.2 Ų | 249.2 | 148 Ų | 148 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | trans | -165.8 | 141.9 | 151.8 | -78.2 | 84.7 | 0 | 0 | 0 | 112.7 | G1871 | G1871-W1873 PolarHBondContact O-N 3.23Š| ||
| 1874 | S | 24.7 | Very low | 26.2 | Very low | 116.2 Ų | 116.2 | 142.8 Ų | 142.8 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -87.4 | 141.5 | -167.3 | -150.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1875 | A | 25.5 | Very low | 27.1 | Very low | 87.4 Ų | 87.4 | 139.7 Ų | 139.7 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -100.2 | 147.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1876 | R | 23 | Very low | 28 | Very low | 247.8 Ų | 247.8 | 134.5 Ų | 134.5 | 94% | 0.935 | 74% | 0.739 | S | S | * | * | trans | -104.2 | 134 | 174 | -70.1 | -178.2 | -164.9 | -177.8 | 5.2 | 111.5 | G1878 | R1876-G1878 PolarHBondContact O-N 3.14Š| ||
| 1877 | H | 25.1 | Very low | 29 | Very low | 195.4 Ų | 195.4 | 132.4 Ų | 132.4 | 91% | 0.905 | 72% | 0.719 | S | S | * | * | trans | -69.1 | 122.7 | 177.4 | -70.7 | -77.7 | 0 | 0 | 0 | 112.8 | ||||
| 1878 | G | 24.2 | Very low | 30 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -102.4 | 127.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | R1876 L1880 | R1876-G1878 PolarHBondContact O-N 3.14Å; G1878-L1880 PolarHBondContact O-N 2.84Å | ||
| 1879 | G | 24.8 | Very low | 30.8 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | trans | -69.9 | 123.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1881 | G1879-R1881 PolarHBondContact O-N 3.39Š| ||
| 1880 | L | 28.5 | Very low | 31.7 | Very low | 147.8 Ų | 147.8 | 120.1 Ų | 120.1 | 77% | 0.774 | 65% | 0.645 | S | S | * | * | trans | -87.2 | 130.4 | 169.8 | -85 | 136.4 | 0 | 0 | 0 | 110 | G1878 K1882 | G1878-L1880 PolarHBondContact O-N 2.84Å; L1880-K1882 PolarHBondContact O-N 3.36Å; L1880-K1882 VanDerWaalsContact O-N 3.11Å | ||
| 1881 | R | 30.6 | Very low | 32.8 | Very low | 223.4 Ų | 223.4 | 117.4 Ų | 117.4 | 84% | 0.843 | 64% | 0.638 | S | S | * | * | trans | -59.2 | 131.3 | 174.4 | -76.8 | -176.9 | 174.5 | -171.4 | -1.8 | 110.5 | R1671 H1724 G1879 S1883 | R1671-R1881 PolarHBondContact NH1-O 2.93Å; H1724-R1881 PolarHBondContact NE2-NH1 2.9Å; G1879-R1881 PolarHBondContact O-N 3.39Å; R1881-S1883 PolarHBondContact O-N 3.33Å; R1881-S1883 VanDerWaalsContact O-N 3.11Å | ||
| 1882 | K | 32.9 | Very low | 33.8 | Very low | 199.4 Ų | 199.4 | 122.3 Ų | 122.3 | 87% | 0.867 | 64% | 0.639 | S | S | * | * | trans | -77 | 108.7 | -179.8 | -70.1 | 179.1 | 177.7 | 178.1 | 0 | 109.9 | L1880 | L1880-K1882 PolarHBondContact O-N 3.36Å; L1880-K1882 VanDerWaalsContact O-N 3.11Å | ||
| 1883 | S | 33.9 | Very low | 34.7 | Very low | 46.4 Ų | 46.4 | 114.5 Ų | 114.5 | 32% | 0.324 | 61% | 0.606 | S | S | . | * | trans | -95.7 | 153.5 | 166.1 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | E1437 R1671 R1881 S1885 | E1437-S1883 PolarHBondContact OE2-OG 3.05Å; R1671-S1883 PolarHBondContact NH1-OG 2.88Å; R1671-S1883 PolarHBondContact NH2-O 3.46Å; R1671-S1883 PolarHBondContact NH2-OG 3.23Å; R1881-S1883 PolarHBondContact O-N 3.33Å; R1881-S1883 VanDerWaalsContact O-N 3.11Å; S1883-S1885 VanDerWaalsContact C-N 3.27Å; S1883-S1885 PolarHBondContact O-N 2.98Å; S1883-S1885 VanDerWaalsContact O-N 3.1Å | ||
| 1884 | H | 38 | Very low | 35.7 | Very low | 114.6 Ų | 114.6 | 104.9 Ų | 104.9 | 53% | 0.531 | 57% | 0.573 | S | S | . | * | trans | -63.6 | 99 | 177.9 | -52.8 | -85.8 | 0 | 0 | 0 | 113.3 | D1439 T1698 | D1439-H1884 WeakPolarHBondContact CB-O 3.4Å; D1439-H1884 PolarHBondContact N-O 2.93Å; T1698-H1884 PolarHBondContact O-CE1 3.44Å; T1698-H1884 PolarHBondContact O-NE2 3.16Å | ||
| 1885 | S | 42.4 | Very low | 36.8 | Very low | 60 Ų | 60 | 102.1 Ų | 102.1 | 42% | 0.42 | 56% | 0.557 | S | S | . | * | trans | -82.5 | 144.8 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | S1883 S1887 | S1883-S1885 VanDerWaalsContact C-N 3.27Å; S1883-S1885 PolarHBondContact O-N 2.98Å; S1883-S1885 VanDerWaalsContact O-N 3.1Å; S1885-S1887 VanDerWaalsContact C-N 3.27Å; S1885-S1887 PolarHBondContact O-N 3.12Å; S1885-S1887 VanDerWaalsContact O-N 3.14Å; S1885-S1887 PolarHBondContact OG-N 3.19Å; S1885-S1887 PolarHBondContact OG-OG 2.99Å | ||
| 1886 | F | 44.4 | Very low | 37.5 | Very low | 26.6 Ų | 26.6 | 102.6 Ų | 102.6 | 12% | 0.117 | 54% | 0.544 | C | S | . | . | trans | -68.3 | -6.1 | -179.7 | -72 | -82 | 0 | 0 | 0 | 115 | I1438 D1439 E1442 F1746 V1749 R1750 I1753 E1888 | I1438-F1886 HydrophobicContact CG2-CE2 3.82Å; I1438-F1886 HydrophobicContact CG2-CZ 3.61Å; D1439-F1886 WeakPolarHBondContact O-CD2 3.38Å; D1439-F1886 WeakPolarHBondContact O-CE2 3.38Å; E1442-F1886 WeakPolarHBondContact OE2-CB 3.26Å; F1746-F1886 HydrophobicContact CD1-CE1 4.1Å; F1746-F1886 AromaticContact CD2-CE1 3.64Å; F1746-F1886 HydrophobicContact CD2-CE1 3.64Å; F1746-F1886 AromaticContact CD2-CZ 3.87Å; F1746-F1886 HydrophobicContact CD2-CZ 3.9Å; F1746-F1886 HydrophobicContact CE1-CD1 4.17Å; F1746-F1886 AromaticContact CE1-CE1 3.71Å; F1746-F1886 HydrophobicContact CE1-CE1 4.19Å; F1746-F1886 AromaticContact CE2-CD1 3.92Å; F1746-F1886 HydrophobicContact CE2-CD1 3.92Å; F1746-F1886 AromaticContact CE2-CE1 3.31Å; F1746-F1886 HydrophobicContact CE2-CE1 3.31Å; F1746-F1886 VanDerWaalsContact CE2-CE1 3.4Å; F1746-F1886 HydrophobicContact CE2-CE2 4.41Å; F1746-F1886 AromaticContact CE2-CZ 3.79Å; F1746-F1886 HydrophobicContact CE2-CZ 3.85Å; F1746-F1886 HydrophobicContact CG-CE1 4.22Å; F1746-F1886 HydrophobicContact CG-CZ 4.36Å; F1746-F1886 AromaticContact CZ-CD1 3.76Å; F1746-F1886 HydrophobicContact CZ-CD1 3.91Å; F1746-F1886 AromaticContact CZ-CE1 3.61Å; F1746-F1886 HydrophobicContact CZ-CE1 3.61Å; F1746-F1886 HydrophobicContact CZ-CZ 4.1Å; V1749-F1886 HydrophobicContact CB-CE1 4.28Å; V1749-F1886 HydrophobicContact CB-CE2 4.45Å; V1749-F1886 HydrophobicContact CB-CZ 3.86Å; V1749-F1886 HydrophobicContact CG1-CD2 4.38Å; V1749-F1886 HydrophobicContact CG1-CE1 4.08Å; V1749-F1886 HydrophobicContact CG1-CE2 3.55Å; V1749-F1886 VanDerWaalsContact CG1-CE2 3.48Å; V1749-F1886 HydrophobicContact CG1-CZ 3.35Å; V1749-F1886 VanDerWaalsContact CG1-CZ 3.43Å; R1750-F1886 HydrophobicContact CB-CD1 4.21Å; R1750-F1886 HydrophobicContact CB-CE1 4.08Å; R1750-F1886 HydrophobicContact CG-CD1 4.23Å; R1750-F1886 HydrophobicContact CG-CE1 4.47Å; I1753-F1886 HydrophobicContact CD1-CB 3.9Å; I1753-F1886 HydrophobicContact CD1-CD1 4.14Å; I1753-F1886 HydrophobicContact CD1-CD2 3.96Å; I1753-F1886 HydrophobicContact CD1-CE2 4.43Å; I1753-F1886 HydrophobicContact CD1-CG 3.74Å; F1886-E1888 PolarHBondContact O-N 3.26Å; F1886-E1888 VanDerWaalsContact O-N 3.07Å | ||
| 1887 | S | 42.9 | Very low | 38.4 | Very low | 50.8 Ų | 50.8 | 92.7 Ų | 92.7 | 36% | 0.355 | 51% | 0.507 | S | S | . | . | trans | -73.5 | 99.7 | -175.7 | 63.3 | 0 | 0 | 0 | 0 | 113.8 | S1885 I1889 | S1885-S1887 VanDerWaalsContact C-N 3.27Å; S1885-S1887 PolarHBondContact O-N 3.12Å; S1885-S1887 VanDerWaalsContact O-N 3.14Å; S1885-S1887 PolarHBondContact OG-N 3.19Å; S1885-S1887 PolarHBondContact OG-OG 2.99Å; S1887-I1889 PolarHBondContact O-N 3.33Å; S1887-I1889 WeakPolarHBondContact OG-CD1 3.41Å; S1887-I1889 WeakPolarHBondContact OG-CG1 3.48Å | ||
| 1888 | E | 45.2 | Very low | 39.5 | Very low | 91.2 Ų | 91.2 | 86.2 Ų | 86.2 | 43% | 0.426 | 48% | 0.479 | S | S | . | . | trans | -71.1 | -2.8 | 159.2 | -86 | 168.7 | -155.8 | 0 | 0 | 112 | L1702 R1750 T1770 F1886 P1890 | L1702-E1888 HydrophobicContact CD2-CG 3.65Å; L1702-E1888 WeakPolarHBondContact CD2-OE1 3.27Å; R1750-E1888 IonicContact CZ-OE1 3.06Å; R1750-E1888 VanDerWaalsContact CZ-OE1 3.24Å; R1750-E1888 IonicContact CZ-OE2 2.72Å; R1750-E1888 IonicContact NH1-OE1 3.49Å; R1750-E1888 PolarHBondContact NH1-OE1 3.13Å; R1750-E1888 VanDerWaalsContact NH1-OE1 3.14Å; R1750-E1888 IonicContact NH1-OE2 3.89Å; R1750-E1888 IonicContact NH2-OE1 3.03Å; R1750-E1888 PolarHBondContact NH2-OE1 3.07Å; R1750-E1888 IonicContact NH2-OE2 3.3Å; R1750-E1888 PolarHBondContact NH2-OE2 3.23Å; T1770-E1888 HydrophobicContact CG2-CB 4.37Å; F1886-E1888 PolarHBondContact O-N 3.26Å; F1886-E1888 VanDerWaalsContact O-N 3.07Å; E1888-P1890 VanDerWaalsContact O-CD 3.25Å; E1888-P1890 WeakPolarHBondContact O-CD 3.33Å | ||
| 1889 | I | 42.9 | Very low | 40.5 | Very low | 16.8 Ų | 16.8 | 85.8 Ų | 85.8 | 9% | 0.086 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -72.1 | 121.2 | 176.4 | -62.7 | -179.9 | 0 | 0 | 0 | 108.3 | Y1757 I1767 T1770 S1887 S1891 L1893 L1894 | Y1757-I1889 HydrophobicContact CD2-CD1 4.4Å; Y1757-I1889 HydrophobicContact CE1-CD1 3.95Å; Y1757-I1889 HydrophobicContact CE2-CD1 3.78Å; Y1757-I1889 HydrophobicContact CE2-CG1 4.47Å; Y1757-I1889 VanDerWaalsContact CZ-CD1 3.47Å; Y1757-I1889 VanDerWaalsContact OH-CD1 3.23Å; Y1757-I1889 WeakPolarHBondContact OH-CD1 3.29Å; I1767-I1889 HydrophobicContact CG1-CD1 4.3Å; T1770-I1889 HydrophobicContact CG2-CG1 4.5Å; S1887-I1889 PolarHBondContact O-N 3.33Å; S1887-I1889 WeakPolarHBondContact OG-CD1 3.41Å; S1887-I1889 WeakPolarHBondContact OG-CG1 3.48Å; I1889-S1891 PolarHBondContact O-N 3.04Å; I1889-L1893 HydrophobicContact CG2-CB 3.37Å; I1889-L1893 VanDerWaalsContact CG2-CB 3.47Å; I1889-L1893 HydrophobicContact CG2-CD1 4.17Å; I1889-L1893 HydrophobicContact CG2-CG 4.39Å; I1889-L1894 HydrophobicContact CB-CD1 4.27Å; I1889-L1894 HydrophobicContact CG2-CB 4.45Å; I1889-L1894 HydrophobicContact CG2-CD1 4.22Å |
| 1890 | P | 43.3 | Very low | 41 | Very low | 71 Ų | 71 | 85.2 Ų | 85.2 | 46% | 0.461 | 44% | 0.441 | S | S | . | . | trans | -45.9 | 133.9 | 173.7 | -27.9 | 32.5 | 0 | 0 | 0 | 111 | E1888 K1892 L1893 L1894 | E1888-P1890 VanDerWaalsContact O-CD 3.25Å; E1888-P1890 WeakPolarHBondContact O-CD 3.33Å; P1890-K1892 CarbonylContact O-C 3.43Å; P1890-K1892 PolarHBondContact O-N 3.04Å; P1890-L1893 HydrophobicContact CG-CD1 4.43Å; P1890-L1893 WeakPolarHBondContact O-CA 3.42Å; P1890-L1893 PolarHBondContact O-N 3.12Å; P1890-L1894 PolarHBondContact O-N 3.12Å | ||
| 1891 | S | 45.6 | Very low | 41.4 | Very low | 104.2 Ų | 104.2 | 80.1 Ų | 80.1 | 73% | 0.729 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -50.4 | -27.9 | -177.3 | 47.7 | 0 | 0 | 0 | 0 | 114 | I1889 L1894 A1895 | I1889-S1891 PolarHBondContact O-N 3.04Å; S1891-L1894 PolarHBondContact O-N 3.27Å; S1891-A1895 WeakPolarHBondContact O-CB 3.37Å; S1891-A1895 PolarHBondContact O-N 3.14Å; S1891-A1895 VanDerWaalsContact O-N 3.16Å |
| 1892 | K | 45.9 | Very low | 41.8 | Very low | 174.6 Ų | 174.6 | 71 Ų | 71 | 76% | 0.759 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.7 | -45 | 170.1 | -82.7 | -175.6 | 175.7 | 178.7 | 0 | 113.8 | P1890 L1894 A1895 Q1896 | P1890-K1892 CarbonylContact O-C 3.43Å; P1890-K1892 PolarHBondContact O-N 3.04Å; K1892-L1894 VanDerWaalsContact C-N 3.33Å; K1892-A1895 WeakPolarHBondContact O-CB 3.21Å; K1892-A1895 PolarHBondContact O-N 3.11Å; K1892-Q1896 VanDerWaalsContact O-CB 3.28Å; K1892-Q1896 WeakPolarHBondContact O-CB 3.37Å; K1892-Q1896 PolarHBondContact O-N 3.2Å |
| 1893 | L | 40.6 | Very low | 41.7 | Very low | 31.4 Ų | 31.4 | 69.4 Ų | 69.4 | 16% | 0.164 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.8 | -31.9 | 179.1 | -71.5 | 178.9 | 0 | 0 | 0 | 111.6 | D1764 I1889 P1890 A1895 Q1896 R1897 | D1764-L1893 WeakPolarHBondContact OD2-CD1 3.33Å; D1764-L1893 VanDerWaalsContact OD2-CD2 3.31Å; D1764-L1893 WeakPolarHBondContact OD2-CD2 3.41Å; I1889-L1893 HydrophobicContact CG2-CB 3.37Å; I1889-L1893 VanDerWaalsContact CG2-CB 3.47Å; I1889-L1893 HydrophobicContact CG2-CD1 4.17Å; I1889-L1893 HydrophobicContact CG2-CG 4.39Å; P1890-L1893 HydrophobicContact CG-CD1 4.43Å; P1890-L1893 WeakPolarHBondContact O-CA 3.42Å; P1890-L1893 PolarHBondContact O-N 3.12Å; L1893-A1895 VanDerWaalsContact C-N 3.34Å; L1893-Q1896 VanDerWaalsContact CD2-OE1 3.29Å; L1893-Q1896 CarbonylContact O-C 3.51Å; L1893-Q1896 PolarHBondContact O-N 3.09Å; L1893-R1897 VanDerWaalsContact O-CB 3.27Å; L1893-R1897 WeakPolarHBondContact O-CB 3.34Å; L1893-R1897 PolarHBondContact O-N 2.92Å |
| 1894 | L | 46.1 | Very low | 41.4 | Very low | 46.8 Ų | 46.8 | 75.2 Ų | 75.2 | 25% | 0.245 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 173 | -140.6 | 97.8 | 0 | 0 | 0 | 111.2 | I1889 P1890 S1891 K1892 R1897 N1898 | I1889-L1894 HydrophobicContact CB-CD1 4.27Å; I1889-L1894 HydrophobicContact CG2-CB 4.45Å; I1889-L1894 HydrophobicContact CG2-CD1 4.22Å; P1890-L1894 PolarHBondContact O-N 3.12Å; S1891-L1894 PolarHBondContact O-N 3.27Å; K1892-L1894 VanDerWaalsContact C-N 3.33Å; L1894-R1897 WeakPolarHBondContact O-CB 3.44Å; L1894-R1897 PolarHBondContact O-N 2.99Å; L1894-N1898 WeakPolarHBondContact O-CB 3.4Å; L1894-N1898 VanDerWaalsContact O-CG 3.28Å; L1894-N1898 PolarHBondContact O-N 3.23Å; L1894-N1898 VanDerWaalsContact O-N 3.11Å; L1894-N1898 PolarHBondContact O-ND2 3.04Å |
| 1895 | A | 47 | Very low | 41 | Very low | 57.6 Ų | 57.6 | 78.5 Ų | 78.5 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1891 K1892 L1893 R1897 N1898 S1899 | S1891-A1895 WeakPolarHBondContact O-CB 3.37Å; S1891-A1895 PolarHBondContact O-N 3.14Å; S1891-A1895 VanDerWaalsContact O-N 3.16Å; K1892-A1895 WeakPolarHBondContact O-CB 3.21Å; K1892-A1895 PolarHBondContact O-N 3.11Å; L1893-A1895 VanDerWaalsContact C-N 3.34Å; A1895-R1897 VanDerWaalsContact C-N 3.35Å; A1895-R1897 PolarHBondContact O-N 3.02Å; A1895-N1898 PolarHBondContact O-N 3.08Å; A1895-S1899 VanDerWaalsContact O-CB 3.28Å; A1895-S1899 WeakPolarHBondContact O-CB 3.39Å; A1895-S1899 PolarHBondContact O-N 3.29Å |
| 1896 | Q | 41 | Very low | 40.1 | Very low | 98 Ų | 98 | 83.6 Ų | 83.6 | 46% | 0.458 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.1 | -163.2 | 172.4 | 4.7 | 0 | 0 | 112.2 | K1892 L1893 N1898 S1899 M1900 | K1892-Q1896 VanDerWaalsContact O-CB 3.28Å; K1892-Q1896 WeakPolarHBondContact O-CB 3.37Å; K1892-Q1896 PolarHBondContact O-N 3.2Å; L1893-Q1896 VanDerWaalsContact CD2-OE1 3.29Å; L1893-Q1896 CarbonylContact O-C 3.51Å; L1893-Q1896 PolarHBondContact O-N 3.09Å; Q1896-N1898 PolarHBondContact O-N 3.47Å; Q1896-S1899 CarbonylContact O-C 3.53Å; Q1896-S1899 WeakPolarHBondContact O-CB 3.43Å; Q1896-S1899 PolarHBondContact O-N 3.3Å; Q1896-M1900 HydrophobicContact CG-CE 4.48Å; Q1896-M1900 HydrophobicContact CG-CG 4.19Å; Q1896-M1900 VanDerWaalsContact O-CB 3.27Å; Q1896-M1900 WeakPolarHBondContact O-CB 3.27Å; Q1896-M1900 VanDerWaalsContact O-CG 3.29Å; Q1896-M1900 WeakPolarHBondContact O-CG 3.27Å; Q1896-M1900 PolarHBondContact O-N 3.13Å |
| 1897 | R | 41.7 | Very low | 39.3 | Very low | 40 Ų | 40 | 87.8 Ų | 87.8 | 15% | 0.151 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 172.5 | -177.4 | -167.9 | 93 | 122 | -7.9 | 111.4 | E1442 L1760 L1893 L1894 A1895 S1899 M1900 L1901 | E1442-R1897 IonicContact OE1-CZ 3.07Å; E1442-R1897 IonicContact OE1-NH1 3.3Å; E1442-R1897 PolarHBondContact OE1-NH1 3.29Å; L1760-R1897 HydrophobicContact CD1-CG 4.13Å; L1760-R1897 HydrophobicContact CD2-CB 3.52Å; L1760-R1897 HydrophobicContact CD2-CG 3.59Å; L1760-R1897 VanDerWaalsContact CD2-CG 3.49Å; L1760-R1897 HydrophobicContact CG-CG 4.31Å; L1893-R1897 VanDerWaalsContact O-CB 3.27Å; L1893-R1897 WeakPolarHBondContact O-CB 3.34Å; L1893-R1897 PolarHBondContact O-N 2.92Å; L1894-R1897 WeakPolarHBondContact O-CB 3.44Å; L1894-R1897 PolarHBondContact O-N 2.99Å; A1895-R1897 VanDerWaalsContact C-N 3.35Å; A1895-R1897 PolarHBondContact O-N 3.02Å; R1897-S1899 VanDerWaalsContact C-N 3.32Å; R1897-S1899 PolarHBondContact O-N 3.4Å; R1897-M1900 PolarHBondContact O-N 3.21Å; R1897-L1901 HydrophobicContact CG-CD1 4.01Å; R1897-L1901 HydrophobicContact CG-CG 4.45Å; R1897-L1901 WeakPolarHBondContact O-CG 3.42Å; R1897-L1901 PolarHBondContact O-N 3.07Å; R1897-L1901 VanDerWaalsContact O-N 3.13Å |
| 1898 | N | 47 | Very low | 38.5 | Very low | 59 Ų | 59 | 90.9 Ų | 90.9 | 32% | 0.316 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -36.6 | 178.6 | -72 | -25.5 | 0 | 0 | 0 | 111.5 | K1455 L1894 A1895 Q1896 L1901 G1902 | K1455-N1898 PolarHBondContact NZ-OD1 3.26Å; L1894-N1898 WeakPolarHBondContact O-CB 3.4Å; L1894-N1898 VanDerWaalsContact O-CG 3.28Å; L1894-N1898 PolarHBondContact O-N 3.23Å; L1894-N1898 VanDerWaalsContact O-N 3.11Å; L1894-N1898 PolarHBondContact O-ND2 3.04Å; A1895-N1898 PolarHBondContact O-N 3.08Å; Q1896-N1898 PolarHBondContact O-N 3.47Å; N1898-L1901 PolarHBondContact O-N 3.36Å; N1898-G1902 PolarHBondContact O-N 2.85Å |
| 1899 | S | 45.9 | Very low | 37.7 | Very low | 60 Ų | 60 | 93.3 Ų | 93.3 | 42% | 0.42 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 173.9 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | A1895 Q1896 R1897 G1902 F1903 | A1895-S1899 VanDerWaalsContact O-CB 3.28Å; A1895-S1899 WeakPolarHBondContact O-CB 3.39Å; A1895-S1899 PolarHBondContact O-N 3.29Å; Q1896-S1899 CarbonylContact O-C 3.53Å; Q1896-S1899 WeakPolarHBondContact O-CB 3.43Å; Q1896-S1899 PolarHBondContact O-N 3.3Å; R1897-S1899 VanDerWaalsContact C-N 3.32Å; R1897-S1899 PolarHBondContact O-N 3.4Å; S1899-G1902 PolarHBondContact O-N 3.21Å; S1899-G1902 VanDerWaalsContact O-N 3.11Å; S1899-F1903 WeakPolarHBondContact O-CD2 3.38Å |
| 1900 | M | 34.8 | Very low | 36.8 | Very low | 68.6 Ų | 68.6 | 102.7 Ų | 102.7 | 34% | 0.338 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -78.2 | -26 | -177.4 | -70.4 | -93.6 | -83.9 | 0 | 0 | 113.6 | P1761 T1762 Q1896 R1897 G1902 F1903 | P1761-M1900 HydrophobicContact CB-CE 3.61Å; P1761-M1900 HydrophobicContact CB-SD 4.1Å; P1761-M1900 HydrophobicContact CG-CB 3.79Å; P1761-M1900 HydrophobicContact CG-CE 3.52Å; P1761-M1900 HydrophobicContact CG-CG 4.46Å; P1761-M1900 WeakPolarHBondContact CG-O 3.38Å; P1761-M1900 HydrophobicContact CG-SD 3.76Å; T1762-M1900 HydrophobicContact CG2-CE 3.52Å; T1762-M1900 WeakPolarHBondContact OG1-CE 3.2Å; Q1896-M1900 HydrophobicContact CG-CE 4.48Å; Q1896-M1900 HydrophobicContact CG-CG 4.19Å; Q1896-M1900 VanDerWaalsContact O-CB 3.27Å; Q1896-M1900 WeakPolarHBondContact O-CB 3.27Å; Q1896-M1900 VanDerWaalsContact O-CG 3.29Å; Q1896-M1900 WeakPolarHBondContact O-CG 3.27Å; Q1896-M1900 PolarHBondContact O-N 3.13Å; R1897-M1900 PolarHBondContact O-N 3.21Å; M1900-G1902 PolarHBondContact O-N 2.99Å; M1900-G1902 VanDerWaalsContact O-N 3.11Å; M1900-F1903 PolarHBondContact O-N 3.16Å; M1900-F1903 VanDerWaalsContact O-N 3.13Å |
| 1901 | L | 37.8 | Very low | 36 | Very low | 41.8 Ų | 41.8 | 102.6 Ų | 102.6 | 22% | 0.219 | 56% | 0.558 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | -17.8 | 171.4 | -78.4 | 165.8 | 0 | 0 | 0 | 112.8 | K1455 Q1456 L1760 P1761 R1897 N1898 F1903 F1904 | K1455-L1901 HydrophobicContact CD-CD1 4.26Å; Q1456-L1901 WeakPolarHBondContact CG-O 3.3Å; Q1456-L1901 PolarHBondContact NE2-O 3.44Å; L1760-L1901 HydrophobicContact CD2-CD1 4.43Å; L1760-L1901 HydrophobicContact CD2-CD2 4.1Å; L1760-L1901 HydrophobicContact CD2-CG 4.32Å; P1761-L1901 HydrophobicContact CG-CD2 4.42Å; R1897-L1901 HydrophobicContact CG-CD1 4.01Å; R1897-L1901 HydrophobicContact CG-CG 4.45Å; R1897-L1901 WeakPolarHBondContact O-CG 3.42Å; R1897-L1901 PolarHBondContact O-N 3.07Å; R1897-L1901 VanDerWaalsContact O-N 3.13Å; N1898-L1901 PolarHBondContact O-N 3.36Å; L1901-F1903 PolarHBondContact O-N 3.3Å; L1901-F1904 PolarHBondContact O-N 2.9Å |
| 1902 | G | 38.1 | Very low | 34.9 | Very low | 32 Ų | 32 | 108.6 Ų | 108.6 | 33% | 0.33 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -12.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N1898 S1899 M1900 F1904 | N1898-G1902 PolarHBondContact O-N 2.85Å; S1899-G1902 PolarHBondContact O-N 3.21Å; S1899-G1902 VanDerWaalsContact O-N 3.11Å; M1900-G1902 PolarHBondContact O-N 2.99Å; M1900-G1902 VanDerWaalsContact O-N 3.11Å; G1902-F1904 VanDerWaalsContact C-N 3.27Å; G1902-F1904 PolarHBondContact O-N 3.14Å |
| 1903 | F | 30.6 | Very low | 33.9 | Very low | 165.2 Ų | 165.2 | 108.5 Ų | 108.5 | 73% | 0.725 | 57% | 0.567 | S | S | * | * | trans | -103.1 | 53.7 | -176.2 | -78.7 | -80.8 | 0 | 0 | 0 | 113 | S1899 M1900 L1901 | S1899-F1903 WeakPolarHBondContact O-CD2 3.38Å; M1900-F1903 PolarHBondContact O-N 3.16Å; M1900-F1903 VanDerWaalsContact O-N 3.13Å; L1901-F1903 PolarHBondContact O-N 3.3Å | ||
| 1904 | F | 28.9 | Very low | 33.2 | Very low | 168 Ų | 168 | 112.6 Ų | 112.6 | 74% | 0.737 | 60% | 0.598 | S | S | * | * | trans | -122.8 | 72.3 | 166.1 | -118 | -86.3 | 0 | 0 | 0 | 109.7 | L1901 G1902 E1906 | L1901-F1904 PolarHBondContact O-N 2.9Å; G1902-F1904 VanDerWaalsContact C-N 3.27Å; G1902-F1904 PolarHBondContact O-N 3.14Å; F1904-E1906 HydrophobicContact CD1-CG 4.33Å; F1904-E1906 HydrophobicContact CE1-CG 4.43Å; F1904-E1906 PolarHBondContact O-N 3.2Å | ||
| 1905 | E | 28 | Very low | 32.1 | Very low | 185.4 Ų | 185.4 | 119.9 Ų | 119.9 | 87% | 0.866 | 63% | 0.628 | S | S | * | * | trans | -83.4 | 116.6 | 166.2 | -88.6 | -176.5 | 156.8 | 0 | 0 | 109.2 | ||||
| 1906 | E | 25.3 | Very low | 31.1 | Very low | 166.2 Ų | 166.2 | 126 Ų | 126 | 78% | 0.777 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 141.5 | 161 | -77.4 | -174.8 | 158.7 | 0 | 0 | 111.6 | F1904 | F1904-E1906 HydrophobicContact CD1-CG 4.33Å; F1904-E1906 HydrophobicContact CE1-CG 4.43Å; F1904-E1906 PolarHBondContact O-N 3.2Å |
| 1907 | P | 26.2 | Very low | 30.3 | Very low | 115.6 Ų | 115.6 | 128.8 Ų | 128.8 | 75% | 0.751 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 131.8 | -169.7 | 26.8 | -32.9 | 0 | 0 | 0 | 111 | V1909 | P1907-V1909 PolarHBondContact O-N 3.11Š|
| 1908 | P | 27.5 | Very low | 29.6 | Very low | 115.8 Ų | 115.8 | 135.3 Ų | 135.3 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 125 | -171.3 | 27.3 | -32.4 | 0 | 0 | 0 | 111.2 | F1910 | P1908-F1910 PolarHBondContact O-N 3.3Š|
| 1909 | V | 27 | Very low | 28.4 | Very low | 141.2 Ų | 141.2 | 140.5 Ų | 140.5 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 119.4 | 170.2 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | P1907 G1911 | P1907-V1909 PolarHBondContact O-N 3.11Å; V1909-G1911 PolarHBondContact O-N 3.27Å; V1909-G1911 VanDerWaalsContact O-N 3.13Å |
| 1910 | F | 23.8 | Very low | 27.4 | Very low | 213.4 Ų | 213.4 | 143.3 Ų | 143.3 | 94% | 0.936 | 75% | 0.748 | S | S | * | * | trans | -50.2 | 101.9 | -179.2 | -92.4 | -95.8 | 0 | 0 | 0 | 113.2 | P1908 | P1908-F1910 PolarHBondContact O-N 3.3Š| ||
| 1911 | G | 26.3 | Very low | 26.8 | Very low | 70 Ų | 70 | 143.8 Ų | 143.8 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -101.6 | 119 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1909 H1913 | V1909-G1911 PolarHBondContact O-N 3.27Å; V1909-G1911 VanDerWaalsContact O-N 3.13Å; G1911-H1913 PolarHBondContact O-N 3.19Å; G1911-H1913 VanDerWaalsContact O-N 3.11Å | ||
| 1912 | R | 23.7 | Very low | 26.2 | Very low | 229.8 Ų | 229.8 | 147 Ų | 147 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -62.6 | 134.5 | -177.5 | -86.2 | 176 | 173.1 | -171 | 0.4 | 112.5 | ||||
| 1913 | H | 24.2 | Very low | 25.6 | Very low | 172.4 Ų | 172.4 | 151.3 Ų | 151.3 | 80% | 0.798 | 82% | 0.817 | S | S | * | * | trans | 138.4 | 135.6 | 146.5 | -74.1 | -70.5 | 0 | 0 | 0 | 113 | G1911 | G1911-H1913 PolarHBondContact O-N 3.19Å; G1911-H1913 VanDerWaalsContact O-N 3.11Å | ||
| 1914 | S | 25.4 | Very low | 25.3 | Very low | 117.6 Ų | 117.6 | 153.4 Ų | 153.4 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | 143.4 | 134.6 | 132 | 46.6 | 0 | 0 | 0 | 0 | 115.1 | E1916 | S1914-E1916 PolarHBondContact O-N 3.41Š| ||
| 1915 | K | 24.6 | Very low | 25.2 | Very low | 199.4 Ų | 199.4 | 148.7 Ų | 148.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -53.5 | 133.1 | 171 | -64.8 | 166.9 | 172.1 | 176.1 | 0 | 112.1 | ||||
| 1916 | E | 25.1 | Very low | 25.1 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | -177.8 | 138.1 | 119.8 | -98 | 171.2 | -164.8 | 0 | 0 | 111.3 | S1914 L1918 | S1914-E1916 PolarHBondContact O-N 3.41Å; E1916-L1918 PolarHBondContact O-N 3.19Å | |||
| 1917 | N | 25.1 | Very low | 25 | Very low | 156.6 Ų | 156.6 | 145.9 Ų | 145.9 | 84% | 0.837 | 83% | 0.825 | S | S | * | * | trans | -50.4 | 125.2 | -175.2 | -62.8 | -39 | 0 | 0 | 0 | 115.2 | ||||
| 1918 | L | 25.4 | Very low | 25 | Very low | 176.8 Ų | 176.8 | 152 Ų | 152 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | trans | -147.9 | 117.2 | 139.1 | -89.4 | 166.3 | 0 | 0 | 0 | 109.6 | E1916 S1920 | E1916-L1918 PolarHBondContact O-N 3.19Å; L1918-S1920 PolarHBondContact O-N 3.12Å | ||
| 1919 | L | 23.5 | Very low | 24.8 | Very low | 168 Ų | 168 | 152.2 Ų | 152.2 | 88% | 0.88 | 84% | 0.837 | S | S | * | * | trans | -76.7 | 135.4 | 177.1 | -74.6 | 155.2 | 0 | 0 | 0 | 110.7 | ||||
| 1920 | S | 23.2 | Very low | 24.6 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | trans | 137.4 | 106.8 | 146.5 | -10.4 | 0 | 0 | 0 | 0 | 114.8 | L1918 | L1918-S1920 PolarHBondContact O-N 3.12Š| ||
| 1921 | G | 23.6 | Very low | 24.6 | Very low | 78.8 Ų | 78.8 | 145.1 Ų | 145.1 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | 102.6 | 90 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1922 | S | 24.5 | Very low | 24.6 | Very low | 108.2 Ų | 108.2 | 152.5 Ų | 152.5 | 76% | 0.757 | 83% | 0.833 | S | S | * | * | trans | -162.3 | 107.5 | 143.5 | 170.1 | 0 | 0 | 0 | 0 | 112.6 | F1924 | S1922-F1924 PolarHBondContact O-N 3.15Š| ||
| 1923 | T | 25.4 | Very low | 24.7 | Very low | 123.2 Ų | 123.2 | 151.1 Ų | 151.1 | 76% | 0.756 | 84% | 0.836 | S | S | * | * | trans | -84.6 | 89.6 | 156.7 | -15.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1924 | F | 24.9 | Very low | 24.7 | Very low | 209 Ų | 209 | 151.7 Ų | 151.7 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | trans | -120.4 | 60.5 | 167.8 | -116.9 | -88 | 0 | 0 | 0 | 112.8 | S1922 | S1922-F1924 PolarHBondContact O-N 3.15Š| ||
| 1925 | G | 25.9 | Very low | 24.8 | Very low | 68.6 Ų | 68.6 | 153.1 Ų | 153.1 | 71% | 0.707 | 84% | 0.835 | S | S | * | * | trans | -144.7 | 28.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1926 | T | 26 | Very low | 24.8 | Very low | 129.6 Ų | 129.6 | 154.9 Ų | 154.9 | 80% | 0.795 | 84% | 0.836 | S | S | * | * | trans | -119.7 | 64.9 | -177.8 | 27.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1927 | L | 24.4 | Very low | 24.8 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 85% | 0.853 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -134.4 | 14 | 164.9 | -118.6 | 151.6 | 0 | 0 | 0 | 114.6 | ||
| 1928 | W | 25 | Very low | 24.8 | Very low | 243.6 Ų | 243.6 | 155.4 Ų | 155.4 | 92% | 0.923 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -120.6 | 91.4 | 170.2 | -83.7 | 45.9 | 0 | 0 | 0 | 110.8 | ||
| 1929 | S | 23.8 | Very low | 24.7 | Very low | 120.8 Ų | 120.8 | 151.6 Ų | 151.6 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | 159.7 | 74.1 | 169.5 | -81.9 | 0 | 0 | 0 | 0 | 113.7 | A1931 | S1929-A1931 PolarHBondContact O-N 3.2Š| ||
| 1930 | S | 23.4 | Very low | 24.8 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 89% | 0.888 | 83% | 0.832 | S | S | * | * | trans | -99 | 90 | 160.2 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1931 | A | 24.1 | Very low | 24.7 | Very low | 78.8 Ų | 78.8 | 150.9 Ų | 150.9 | 65% | 0.651 | 84% | 0.835 | S | S | * | * | trans | -130.8 | 111.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S1929 | S1929-A1931 PolarHBondContact O-N 3.2Š| ||
| 1932 | Y | 25.6 | Very low | 24.8 | Very low | 224.8 Ų | 224.8 | 150.4 Ų | 150.4 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | 77.6 | 91.1 | 158.7 | -70.7 | -82.7 | 0 | 0 | 0 | 116.3 | K1934 | Y1932-K1934 PolarHBondContact O-N 3.11Å; Y1932-K1934 VanDerWaalsContact O-N 3.14Å | ||
| 1933 | E | 24.8 | Very low | 24.8 | Very low | 200.2 Ų | 200.2 | 150.9 Ų | 150.9 | 94% | 0.936 | 83% | 0.829 | S | S | * | * | trans | -112.9 | 119.2 | 134.5 | -106.9 | 176.3 | 169.6 | 0 | 0 | 108.9 | D1935 | E1933-D1935 VanDerWaalsContact C-N 3.35Å; E1933-D1935 PolarHBondContact O-N 3.18Å | ||
| 1934 | K | 25.6 | Very low | 24.7 | Very low | 185.6 Ų | 185.6 | 154.1 Ų | 154.1 | 81% | 0.807 | 83% | 0.833 | S | S | * | * | trans | -117.7 | 120.9 | 175 | -158.9 | -178.8 | -175.8 | 177.7 | 0 | 108.4 | Y1932 | Y1932-K1934 PolarHBondContact O-N 3.11Å; Y1932-K1934 VanDerWaalsContact O-N 3.14Å | ||
| 1935 | D | 26.1 | Very low | 24.6 | Very low | 147.2 Ų | 147.2 | 154 Ų | 154 | 79% | 0.787 | 83% | 0.832 | S | S | * | * | trans | -36.3 | 120.6 | 165.8 | -78.6 | -33.3 | 0 | 0 | 0 | 115.3 | E1933 L1937 | E1933-D1935 VanDerWaalsContact C-N 3.35Å; E1933-D1935 PolarHBondContact O-N 3.18Å; D1935-L1937 PolarHBondContact O-N 2.75Å | ||
| 1936 | R | 25 | Very low | 24.5 | Very low | 238 Ų | 238 | 156.7 Ų | 156.7 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | trans | -105.8 | 111 | 159.9 | -83.7 | 165.4 | 129.8 | 172.9 | -0.3 | 110.4 | E1938 | R1936-E1938 PolarHBondContact O-N 2.97Š| ||
| 1937 | L | 25.9 | Very low | 24.4 | Very low | 170.8 Ų | 170.8 | 153.8 Ų | 153.8 | 89% | 0.894 | 84% | 0.836 | S | S | * | * | trans | -122.2 | 122.1 | 150.5 | -100.3 | 136.1 | 0 | 0 | 0 | 109.8 | D1935 | D1935-L1937 PolarHBondContact O-N 2.75Š| ||
| 1938 | E | 24.2 | Very low | 24.3 | Very low | 182.8 Ų | 182.8 | 152.3 Ų | 152.3 | 85% | 0.854 | 84% | 0.838 | S | S | * | * | trans | -100.9 | 140.6 | 170.6 | -78.9 | 174.8 | 169.2 | 0 | 0 | 114.1 | R1936 T1940 | R1936-E1938 PolarHBondContact O-N 2.97Å; E1938-T1940 PolarHBondContact O-N 3.3Å | ||
| 1939 | A | 23.2 | Very low | 24.3 | Very low | 95.8 Ų | 95.8 | 144.8 Ų | 144.8 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | trans | -64.9 | 137.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1940 | T | 25.1 | Very low | 24.5 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -149.3 | 120.3 | 144.6 | 28.9 | 0 | 0 | 0 | 0 | 110.3 | E1938 G1942 | E1938-T1940 PolarHBondContact O-N 3.3Å; T1940-G1942 PolarHBondContact O-N 3.02Å | ||
| 1941 | S | 22.9 | Very low | 24.6 | Very low | 129.4 Ų | 129.4 | 147.8 Ų | 147.8 | 91% | 0.905 | 83% | 0.825 | S | S | * | * | trans | -63.6 | 137.9 | 172.7 | -49.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1942 | G | 25.1 | Very low | 24.7 | Very low | 68.6 Ų | 68.6 | 148.4 Ų | 148.4 | 71% | 0.707 | 83% | 0.829 | S | S | * | * | trans | 177.9 | 75.4 | 172 | 0 | 0 | 0 | 0 | 0 | 115.4 | T1940 F1944 | T1940-G1942 PolarHBondContact O-N 3.02Å; G1942-F1944 PolarHBondContact O-N 3.31Å | ||
| 1943 | T | 24.2 | Very low | 24.8 | Very low | 119.6 Ų | 119.6 | 144 Ų | 144 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | trans | 15.7 | 122 | 150.4 | -6.9 | 0 | 0 | 0 | 0 | 118 | F1945 | T1943-F1945 PolarHBondContact O-N 2.69Š| ||
| 1944 | F | 23 | Very low | 25.1 | Very low | 190.8 Ų | 190.8 | 138.1 Ų | 138.1 | 84% | 0.837 | 81% | 0.807 | S | S | * | * | trans | 65.9 | 107.6 | 147.7 | -71.1 | -78.7 | 0 | 0 | 0 | 118.2 | G1942 | G1942-F1944 PolarHBondContact O-N 3.31Š| ||
| 1945 | F | 22.9 | Very low | 25.3 | Very low | 206.6 Ų | 206.6 | 137.9 Ų | 137.9 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -141.9 | 119.4 | 133.2 | -85.9 | -82.1 | 0 | 0 | 0 | 109.3 | T1943 G1947 | T1943-F1945 PolarHBondContact O-N 2.69Å; F1945-G1947 PolarHBondContact O-N 3.3Å | ||
| 1946 | S | 24.3 | Very low | 25.5 | Very low | 124.4 Ų | 124.4 | 138.5 Ų | 138.5 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -86.4 | 108.7 | 151.6 | -178.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1947 | G | 22.9 | Very low | 25.8 | Very low | 69.2 Ų | 69.2 | 130.9 Ų | 130.9 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -146.8 | 113.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1945 A1949 | F1945-G1947 PolarHBondContact O-N 3.3Å; G1947-A1949 PolarHBondContact O-N 3Å; G1947-A1949 VanDerWaalsContact O-N 3.15Å | ||
| 1948 | C | 22.1 | Very low | 26.2 | Very low | 131.8 Ų | 131.8 | 128.2 Ų | 128.2 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | -66.3 | 124.5 | 170.1 | -81.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1949 | A | 25.5 | Very low | 26.6 | Very low | 86.6 Ų | 86.6 | 122.9 Ų | 122.9 | 72% | 0.716 | 77% | 0.768 | S | S | * | * | trans | -82.8 | 149.3 | 158 | 0 | 0 | 0 | 0 | 0 | 109.1 | G1947 H1951 | G1947-A1949 PolarHBondContact O-N 3Å; G1947-A1949 VanDerWaalsContact O-N 3.15Å; A1949-H1951 PolarHBondContact O-N 2.9Å | ||
| 1950 | P | 28.6 | Very low | 27.1 | Very low | 119.4 Ų | 119.4 | 121.6 Ų | 121.6 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | -85.7 | 137.8 | -174.6 | 30.1 | -29.9 | 0 | 0 | 0 | 112.2 | A1952 | P1950-A1952 PolarHBondContact O-N 3.07Å; P1950-A1952 VanDerWaalsContact O-N 3.12Å | ||
| 1951 | H | 24.9 | Very low | 27.4 | Very low | 190.8 Ų | 190.8 | 117.8 Ų | 117.8 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -28.5 | 109.3 | 162.3 | -70.4 | -76.1 | 0 | 0 | 0 | 113 | A1949 T1953 | A1949-H1951 PolarHBondContact O-N 2.9Å; H1951-T1953 PolarHBondContact O-N 3.05Å | ||
| 1952 | A | 27.2 | Very low | 27.9 | Very low | 90.6 Ų | 90.6 | 115.2 Ų | 115.2 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | -80.1 | 117.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | P1950 S1954 | P1950-A1952 PolarHBondContact O-N 3.07Å; P1950-A1952 VanDerWaalsContact O-N 3.12Å; A1952-S1954 PolarHBondContact O-N 3.05Å | ||
| 1953 | T | 27.9 | Very low | 28.3 | Very low | 133 Ų | 133 | 116.1 Ų | 116.1 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | trans | -5.9 | 106.1 | 159.4 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | H1951 | H1951-T1953 PolarHBondContact O-N 3.05Š| ||
| 1954 | S | 29.1 | Very low | 28.6 | Very low | 76.8 Ų | 76.8 | 115.1 Ų | 115.1 | 54% | 0.537 | 71% | 0.712 | S | S | . | * | trans | 37 | 110.7 | 137.3 | 63 | 0 | 0 | 0 | 0 | 116.4 | A1952 E1956 | A1952-S1954 PolarHBondContact O-N 3.05Å; S1954-E1956 PolarHBondContact O-N 3.1Å; S1954-E1956 VanDerWaalsContact O-N 3.15Å | ||
| 1955 | E | 31.3 | Very low | 29 | Very low | 180.4 Ų | 180.4 | 110.1 Ų | 110.1 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 5.6 | 158.8 | -71.2 | -177.2 | 141.3 | 0 | 0 | 113.2 | S1957 V1958 A1959 | E1955-S1957 VanDerWaalsContact C-N 3.25Å; E1955-S1957 PolarHBondContact O-N 3.19Å; E1955-S1957 VanDerWaalsContact O-N 3.12Å; E1955-V1958 PolarHBondContact O-N 3.21Å; E1955-V1958 VanDerWaalsContact O-N 3.12Å; E1955-A1959 PolarHBondContact O-N 3.08Å |
| 1956 | E | 30.3 | Very low | 29.8 | Very low | 159.4 Ų | 159.4 | 107.6 Ų | 107.6 | 75% | 0.745 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -50 | -12.2 | -178.2 | -72.1 | -178.5 | 149.4 | 0 | 0 | 114.1 | S1954 V1958 A1959 A1960 | S1954-E1956 PolarHBondContact O-N 3.1Å; S1954-E1956 VanDerWaalsContact O-N 3.15Å; E1956-V1958 VanDerWaalsContact C-N 3.32Å; E1956-V1958 PolarHBondContact O-N 3.41Å; E1956-A1959 PolarHBondContact O-N 3.4Å; E1956-A1960 PolarHBondContact O-N 3.12Å; E1956-A1960 VanDerWaalsContact O-N 3.07Å |
| 1957 | S | 31.5 | Very low | 30.4 | Very low | 78.6 Ų | 78.6 | 109.7 Ų | 109.7 | 55% | 0.55 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -86.7 | -20.5 | 172.2 | -43.3 | 0 | 0 | 0 | 0 | 113.7 | E1955 C1961 | E1955-S1957 VanDerWaalsContact C-N 3.25Å; E1955-S1957 PolarHBondContact O-N 3.19Å; E1955-S1957 VanDerWaalsContact O-N 3.12Å; S1957-C1961 PolarHBondContact O-SG 3.43Å |
| 1958 | V | 32.8 | Very low | 31 | Very low | 115.4 Ų | 115.4 | 110.7 Ų | 110.7 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -87.1 | -26.2 | 178.4 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | E1955 E1956 C1961 A1962 | E1955-V1958 PolarHBondContact O-N 3.21Å; E1955-V1958 VanDerWaalsContact O-N 3.12Å; E1956-V1958 VanDerWaalsContact C-N 3.32Å; E1956-V1958 PolarHBondContact O-N 3.41Å; V1958-C1961 PolarHBondContact O-N 3.06Å; V1958-A1962 PolarHBondContact O-N 3Å |
| 1959 | A | 33.7 | Very low | 31.9 | Very low | 71.4 Ų | 71.4 | 108 Ų | 108 | 59% | 0.59 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.1 | -29.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1955 E1956 C1961 A1962 A1963 | E1955-A1959 PolarHBondContact O-N 3.08Å; E1956-A1959 PolarHBondContact O-N 3.4Å; A1959-C1961 VanDerWaalsContact C-N 3.27Å; A1959-C1961 PolarHBondContact O-N 3.06Å; A1959-A1962 WeakPolarHBondContact O-CB 3.45Å; A1959-A1962 PolarHBondContact O-N 3.05Å; A1959-A1962 VanDerWaalsContact O-N 3.08Å; A1959-A1963 PolarHBondContact O-N 3.33Å |
| 1960 | A | 33.9 | Very low | 32.5 | Very low | 68.6 Ų | 68.6 | 110.7 Ų | 110.7 | 57% | 0.567 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.8 | -25.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1956 A1962 | E1956-A1960 PolarHBondContact O-N 3.12Å; E1956-A1960 VanDerWaalsContact O-N 3.07Å; A1960-A1962 VanDerWaalsContact C-N 3.29Å; A1960-A1962 PolarHBondContact O-N 3.04Å |
| 1961 | C | 31.7 | Very low | 33 | Very low | 62.2 Ų | 62.2 | 109 Ų | 109 | 42% | 0.42 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -8 | 175.7 | -66.1 | 0 | 0 | 0 | 0 | 114.1 | R1846 S1957 V1958 A1959 | R1846-C1961 PolarHBondContact NH1-O 3.25Å; R1846-C1961 VanDerWaalsContact NH1-O 3.16Å; R1846-C1961 PolarHBondContact NH2-O 2.89Å; S1957-C1961 PolarHBondContact O-SG 3.43Å; V1958-C1961 PolarHBondContact O-N 3.06Å; A1959-C1961 VanDerWaalsContact C-N 3.27Å; A1959-C1961 PolarHBondContact O-N 3.06Å |
| 1962 | A | 33.9 | Very low | 34 | Very low | 75.6 Ų | 75.6 | 102.4 Ų | 102.4 | 63% | 0.625 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -12.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1958 A1959 A1960 I1964 | V1958-A1962 PolarHBondContact O-N 3Å; A1959-A1962 WeakPolarHBondContact O-CB 3.45Å; A1959-A1962 PolarHBondContact O-N 3.05Å; A1959-A1962 VanDerWaalsContact O-N 3.08Å; A1960-A1962 VanDerWaalsContact C-N 3.29Å; A1960-A1962 PolarHBondContact O-N 3.04Å; A1962-I1964 VanDerWaalsContact C-N 3.34Å; A1962-I1964 PolarHBondContact O-N 3.29Å |
| 1963 | A | 31.6 | Very low | 34.8 | Very low | 87.6 Ų | 87.6 | 102.9 Ų | 102.9 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | trans | -99.6 | 15.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1959 S1965 | A1959-A1963 PolarHBondContact O-N 3.33Å; A1963-S1965 PolarHBondContact O-N 3.24Å | ||
| 1964 | I | 31.4 | Very low | 35.8 | Very low | 97.8 Ų | 97.8 | 100.8 Ų | 100.8 | 50% | 0.502 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -92.1 | 111.5 | 174.3 | -55.5 | 176.4 | 0 | 0 | 0 | 107.6 | F1839 A1962 | F1839-I1964 HydrophobicContact CE2-CD1 4.09Å; F1839-I1964 HydrophobicContact CZ-CD1 4.31Å; A1962-I1964 VanDerWaalsContact C-N 3.34Å; A1962-I1964 PolarHBondContact O-N 3.29Å |
| 1965 | S | 32.3 | Very low | 36.9 | Very low | 86 Ų | 86 | 99.3 Ų | 99.3 | 60% | 0.601 | 59% | 0.588 | S | S | * | * | trans | -38.7 | 128.1 | 178.3 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | A1963 E1967 | A1963-S1965 PolarHBondContact O-N 3.24Å; S1965-E1967 PolarHBondContact O-N 3.19Å | ||
| 1966 | N | 38.7 | Very low | 38 | Very low | 153 Ų | 153 | 93.2 Ų | 93.2 | 82% | 0.818 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -61.7 | 5.3 | -179.5 | -86.1 | -15.8 | 0 | 0 | 0 | 116.2 | D1968 N1970 | N1966-D1968 PolarHBondContact O-N 3.26Å; N1966-N1970 WeakPolarHBondContact O-CB 3.44Å; N1966-N1970 PolarHBondContact O-ND2 3.05Å |
| 1967 | E | 36.7 | Very low | 39.2 | Very low | 168.6 Ų | 168.6 | 89.6 Ų | 89.6 | 79% | 0.788 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -83.2 | -18.4 | -177.4 | -64 | -154.8 | 156.5 | 0 | 0 | 114.2 | S1965 A1969 L1971 | S1965-E1967 PolarHBondContact O-N 3.19Å; E1967-A1969 VanDerWaalsContact C-N 3.35Å; E1967-A1969 PolarHBondContact O-N 2.94Å; E1967-L1971 WeakPolarHBondContact O-CG 3.07Å; E1967-L1971 PolarHBondContact O-N 2.98Å; E1967-L1971 VanDerWaalsContact O-N 3.1Å |
| 1968 | D | 36.3 | Very low | 40.5 | Very low | 91 Ų | 91 | 86.7 Ų | 86.7 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -86.9 | 0.8 | -178.2 | -73 | -26.9 | 0 | 0 | 0 | 114.7 | N1966 N1970 L1971 S1972 | N1966-D1968 PolarHBondContact O-N 3.26Å; D1968-N1970 VanDerWaalsContact C-N 3.29Å; D1968-N1970 PolarHBondContact O-N 2.97Å; D1968-L1971 HydrophobicContact CB-CD1 4.3Å; D1968-L1971 PolarHBondContact O-N 3.18Å; D1968-S1972 PolarHBondContact O-N 3.35Å; D1968-S1972 VanDerWaalsContact O-N 3.09Å |
| 1969 | A | 40.2 | Very low | 41.9 | Very low | 74.6 Ų | 74.6 | 83.1 Ų | 83.1 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -67.5 | -23.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1967 L1971 S1972 D1973 | E1967-A1969 VanDerWaalsContact C-N 3.35Å; E1967-A1969 PolarHBondContact O-N 2.94Å; A1969-L1971 PolarHBondContact O-N 2.95Å; A1969-S1972 PolarHBondContact O-N 3.1Å; A1969-S1972 PolarHBondContact O-OG 3.06Å; A1969-D1973 PolarHBondContact O-N 3.01Å |
| 1970 | N | 39.2 | Very low | 43.4 | Very low | 143.6 Ų | 143.6 | 81.8 Ų | 81.8 | 77% | 0.768 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -88.7 | -6 | -177.8 | -83.7 | -12.1 | 0 | 0 | 0 | 114.7 | N1966 D1968 S1972 Q1974 | N1966-N1970 WeakPolarHBondContact O-CB 3.44Å; N1966-N1970 PolarHBondContact O-ND2 3.05Å; D1968-N1970 VanDerWaalsContact C-N 3.29Å; D1968-N1970 PolarHBondContact O-N 2.97Å; N1970-S1972 VanDerWaalsContact C-N 3.32Å; N1970-S1972 PolarHBondContact O-N 2.99Å; N1970-S1972 VanDerWaalsContact O-N 3.11Å; N1970-Q1974 WeakPolarHBondContact O-CB 3.42Å; N1970-Q1974 VanDerWaalsContact O-CG 3.28Å; N1970-Q1974 WeakPolarHBondContact O-CG 3.38Å; N1970-Q1974 PolarHBondContact O-N 3.42Å |
| 1971 | L | 38 | Very low | 45.4 | Very low | 85 Ų | 85 | 78.9 Ų | 78.9 | 45% | 0.445 | 46% | 0.458 | S | S | . | . | trans | -79.3 | 70.9 | 175.7 | -67.4 | 172.1 | 0 | 0 | 0 | 111.2 | R1847 E1967 D1968 A1969 N1975 | R1847-L1971 PolarHBondContact NH2-O 3.18Å; E1967-L1971 WeakPolarHBondContact O-CG 3.07Å; E1967-L1971 PolarHBondContact O-N 2.98Å; E1967-L1971 VanDerWaalsContact O-N 3.1Å; D1968-L1971 HydrophobicContact CB-CD1 4.3Å; D1968-L1971 PolarHBondContact O-N 3.18Å; A1969-L1971 PolarHBondContact O-N 2.95Å; L1971-N1975 HydrophobicContact CB-CB 4.23Å; L1971-N1975 VanDerWaalsContact CD2-ND2 3.3Å; L1971-N1975 WeakPolarHBondContact CD2-ND2 3.31Å; L1971-N1975 PolarHBondContact O-N 3.38Å; L1971-N1975 PolarHBondContact O-ND2 3.29Å | ||
| 1972 | S | 45.8 | Very low | 48 | Very low | 51 Ų | 51 | 76 Ų | 76 | 36% | 0.357 | 44% | 0.438 | S | S | . | . | trans | -62.3 | 175.4 | -177.7 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | R1847 D1968 A1969 N1970 Q1974 N1975 I1976 | R1847-S1972 PolarHBondContact NH2-OG 2.82Å; D1968-S1972 PolarHBondContact O-N 3.35Å; D1968-S1972 VanDerWaalsContact O-N 3.09Å; A1969-S1972 PolarHBondContact O-N 3.1Å; A1969-S1972 PolarHBondContact O-OG 3.06Å; N1970-S1972 VanDerWaalsContact C-N 3.32Å; N1970-S1972 PolarHBondContact O-N 2.99Å; N1970-S1972 VanDerWaalsContact O-N 3.11Å; S1972-Q1974 PolarHBondContact O-N 3.05Å; S1972-N1975 PolarHBondContact O-N 3.12Å; S1972-I1976 WeakPolarHBondContact O-CD1 3.31Å; S1972-I1976 VanDerWaalsContact O-CG1 3.27Å; S1972-I1976 WeakPolarHBondContact O-CG1 3.32Å; S1972-I1976 PolarHBondContact O-N 3.39Å; S1972-I1976 VanDerWaalsContact O-N 3.07Å | ||
| 1973 | D | 44.9 | Very low | 50.7 | Low | 102.2 Ų | 102.2 | 72.5 Ų | 72.5 | 55% | 0.547 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.5 | -28.4 | 179.9 | -79.9 | -23.2 | 0 | 0 | 0 | 113.9 | R1847 A1969 N1975 I1976 E1977 | R1847-D1973 IonicContact CZ-OD1 3.43Å; R1847-D1973 IonicContact NH1-OD1 3.12Å; R1847-D1973 PolarHBondContact NH1-OD1 3.02Å; R1847-D1973 IonicContact NH2-OD1 3.23Å; R1847-D1973 PolarHBondContact NH2-OD1 2.91Å; A1969-D1973 PolarHBondContact O-N 3.01Å; D1973-N1975 VanDerWaalsContact C-N 3.33Å; D1973-N1975 PolarHBondContact O-N 2.94Å; D1973-I1976 PolarHBondContact O-N 2.97Å; D1973-E1977 PolarHBondContact O-N 3.29Å |
| 1974 | Q | 48.5 | Very low | 53.5 | Low | 88.8 Ų | 88.8 | 68.3 Ų | 68.3 | 42% | 0.415 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 175 | -64.6 | -173 | 13.4 | 0 | 0 | 112.3 | V1492 N1970 S1972 I1976 E1977 F1978 | V1492-Q1974 HydrophobicContact CG1-CB 4.05Å; V1492-Q1974 HydrophobicContact CG1-CG 3.73Å; V1492-Q1974 HydrophobicContact CG2-CG 4.21Å; N1970-Q1974 WeakPolarHBondContact O-CB 3.42Å; N1970-Q1974 VanDerWaalsContact O-CG 3.28Å; N1970-Q1974 WeakPolarHBondContact O-CG 3.38Å; N1970-Q1974 PolarHBondContact O-N 3.42Å; S1972-Q1974 PolarHBondContact O-N 3.05Å; Q1974-I1976 VanDerWaalsContact C-N 3.33Å; Q1974-I1976 PolarHBondContact O-N 3Å; Q1974-E1977 PolarHBondContact O-N 2.88Å; Q1974-F1978 HydrophobicContact CB-CD2 4.45Å; Q1974-F1978 HydrophobicContact CB-CE2 4.21Å; Q1974-F1978 WeakPolarHBondContact O-CB 3.47Å; Q1974-F1978 WeakPolarHBondContact O-CD2 3.4Å; Q1974-F1978 WeakPolarHBondContact O-CE2 3.31Å; Q1974-F1978 PolarHBondContact O-N 3.3Å |
| 1975 | N | 53.1 | Low | 56.3 | Low | 44.8 Ų | 44.8 | 63.7 Ų | 63.7 | 24% | 0.24 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.3 | -31 | -174.2 | -73.4 | -17 | 0 | 0 | 0 | 113.5 | V1492 L1971 S1972 D1973 F1978 E1979 F2004 | V1492-N1975 VanDerWaalsContact CB-OD1 3.27Å; V1492-N1975 WeakPolarHBondContact CB-OD1 3.25Å; V1492-N1975 WeakPolarHBondContact CG1-OD1 3.17Å; V1492-N1975 WeakPolarHBondContact CG2-OD1 3.46Å; L1971-N1975 HydrophobicContact CB-CB 4.23Å; L1971-N1975 VanDerWaalsContact CD2-ND2 3.3Å; L1971-N1975 WeakPolarHBondContact CD2-ND2 3.31Å; L1971-N1975 PolarHBondContact O-N 3.38Å; L1971-N1975 PolarHBondContact O-ND2 3.29Å; S1972-N1975 PolarHBondContact O-N 3.12Å; D1973-N1975 VanDerWaalsContact C-N 3.33Å; D1973-N1975 PolarHBondContact O-N 2.94Å; N1975-F1978 PolarHBondContact O-N 3.05Å; N1975-E1979 WeakPolarHBondContact O-CB 3.25Å; N1975-E1979 WeakPolarHBondContact O-CG 3.32Å; N1975-E1979 PolarHBondContact O-N 3.35Å; N1975-F2004 HydrophobicContact CB-CE2 4.34Å; N1975-F2004 HydrophobicContact CB-CZ 4.37Å |
| 1976 | I | 53.7 | Low | 59.1 | Low | 51.4 Ų | 51.4 | 59.6 Ų | 59.6 | 26% | 0.264 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.2 | -39.2 | -179.6 | -62.5 | 177.7 | 0 | 0 | 0 | 111.5 | R1847 S1972 D1973 Q1974 F1978 E1979 S1980 | R1847-I1976 VanDerWaalsContact CZ-CD1 3.42Å; R1847-I1976 VanDerWaalsContact NH1-CD1 3.31Å; S1972-I1976 WeakPolarHBondContact O-CD1 3.31Å; S1972-I1976 VanDerWaalsContact O-CG1 3.27Å; S1972-I1976 WeakPolarHBondContact O-CG1 3.32Å; S1972-I1976 PolarHBondContact O-N 3.39Å; S1972-I1976 VanDerWaalsContact O-N 3.07Å; D1973-I1976 PolarHBondContact O-N 2.97Å; Q1974-I1976 VanDerWaalsContact C-N 3.33Å; Q1974-I1976 PolarHBondContact O-N 3Å; I1976-F1978 VanDerWaalsContact C-N 3.29Å; I1976-F1978 PolarHBondContact O-N 3.22Å; I1976-E1979 PolarHBondContact O-N 3.29Å; I1976-S1980 PolarHBondContact O-N 2.79Å; I1976-S1980 PolarHBondContact O-OG 3.04Å |
| 1977 | E | 56.4 | Low | 61.7 | Low | 85.2 Ų | 85.2 | 52.4 Ų | 52.4 | 40% | 0.398 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.2 | -35.1 | 174.7 | -77.9 | -164.6 | 157.4 | 0 | 0 | 111.8 | R1493 D1973 Q1974 E1979 S1980 D1981 | R1493-E1977 IonicContact CZ-OE1 2.85Å; R1493-E1977 IonicContact NH1-OE1 3.38Å; R1493-E1977 PolarHBondContact NH2-O 3.16Å; R1493-E1977 IonicContact NH2-OE1 3.78Å; R1493-E1977 IonicContact NH2-OE2 2.74Å; D1973-E1977 PolarHBondContact O-N 3.29Å; Q1974-E1977 PolarHBondContact O-N 2.88Å; E1977-E1979 PolarHBondContact O-N 3.33Å; E1977-S1980 PolarHBondContact O-N 3.24Å; E1977-S1980 PolarHBondContact O-OG 3.13Å; E1977-D1981 VanDerWaalsContact O-CG 3.27Å; E1977-D1981 PolarHBondContact O-N 3.46Å |
| 1978 | F | 58.9 | Low | 64.1 | Low | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.1 | -28.3 | -179.6 | -79.1 | -64.8 | 0 | 0 | 0 | 113.9 | V1492 R1493 Y1496 Q1974 N1975 I1976 S1980 D1981 R2000 K2001 H2005 | V1492-F1978 HydrophobicContact CG1-CE2 3.79Å; V1492-F1978 HydrophobicContact CG1-CZ 3.9Å; R1493-F1978 HydrophobicContact CB-CD2 3.79Å; R1493-F1978 HydrophobicContact CB-CE2 3.98Å; R1493-F1978 HydrophobicContact CG-CD2 3.6Å; R1493-F1978 HydrophobicContact CG-CE2 3.71Å; Y1496-F1978 HydrophobicContact CD1-CE2 4.23Å; Y1496-F1978 AromaticContact CD1-CZ 3.71Å; Y1496-F1978 HydrophobicContact CD1-CZ 3.71Å; Y1496-F1978 HydrophobicContact CD2-CZ 4.12Å; Y1496-F1978 HydrophobicContact CE1-CZ 4.28Å; Y1496-F1978 HydrophobicContact CG-CE2 4.31Å; Y1496-F1978 AromaticContact CG-CZ 3.59Å; Y1496-F1978 HydrophobicContact CG-CZ 4.03Å; Q1974-F1978 HydrophobicContact CB-CD2 4.45Å; Q1974-F1978 HydrophobicContact CB-CE2 4.21Å; Q1974-F1978 WeakPolarHBondContact O-CB 3.47Å; Q1974-F1978 WeakPolarHBondContact O-CD2 3.4Å; Q1974-F1978 WeakPolarHBondContact O-CE2 3.31Å; Q1974-F1978 PolarHBondContact O-N 3.3Å; N1975-F1978 PolarHBondContact O-N 3.05Å; I1976-F1978 VanDerWaalsContact C-N 3.29Å; I1976-F1978 PolarHBondContact O-N 3.22Å; F1978-S1980 VanDerWaalsContact C-N 3.32Å; F1978-S1980 PolarHBondContact O-N 3.12Å; F1978-S1980 VanDerWaalsContact O-N 3.1Å; F1978-D1981 PolarHBondContact O-N 3.15Å; F1978-R2000 HydrophobicContact CE2-CG 4.49Å; F1978-R2000 VanDerWaalsContact CE2-NH1 3.3Å; F1978-R2000 VanDerWaalsContact CZ-CD 3.5Å; F1978-R2000 HydrophobicContact CZ-CG 4.24Å; F1978-K2001 HydrophobicContact CD1-CD 3.97Å; F1978-K2001 HydrophobicContact CD2-CD 4.3Å; F1978-K2001 HydrophobicContact CE1-CD 4.01Å; F1978-K2001 HydrophobicContact CE2-CD 4.42Å; F1978-K2001 VanDerWaalsContact CE2-NZ 3.3Å; F1978-K2001 HydrophobicContact CG-CD 4.27Å; F1978-K2001 HydrophobicContact CZ-CD 4.33Å; F1978-H2005 PolarHBondContact O-NE2 3.06Å |
| 1979 | E | 60.6 | Low | 66.4 | Low | 40.6 Ų | 40.6 | 45.3 Ų | 45.3 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -19.6 | 179.1 | -153.6 | 172.3 | -153.3 | 0 | 0 | 113 | H1820 R1843 N1975 I1976 E1977 F1982 F2004 H2005 | H1820-E1979 IonicContact NE2-OE1 2.79Å; R1843-E1979 IonicContact CZ-OE1 3.25Å; R1843-E1979 IonicContact CZ-OE2 2.86Å; R1843-E1979 VanDerWaalsContact NH1-CD 3.26Å; R1843-E1979 IonicContact NH1-OE1 3.29Å; R1843-E1979 PolarHBondContact NH1-OE1 3.14Å; R1843-E1979 IonicContact NH1-OE2 3.24Å; R1843-E1979 PolarHBondContact NH1-OE2 3.06Å; R1843-E1979 IonicContact NH2-OE1 3.43Å; N1975-E1979 WeakPolarHBondContact O-CB 3.25Å; N1975-E1979 WeakPolarHBondContact O-CG 3.32Å; N1975-E1979 PolarHBondContact O-N 3.35Å; I1976-E1979 PolarHBondContact O-N 3.29Å; E1977-E1979 PolarHBondContact O-N 3.33Å; E1979-F1982 WeakPolarHBondContact O-CE1 3.23Å; E1979-F2004 HydrophobicContact CB-CE1 3.73Å; E1979-F2004 HydrophobicContact CB-CZ 4.02Å; E1979-F2004 HydrophobicContact CG-CE1 3.87Å; E1979-F2004 HydrophobicContact CG-CZ 4.27Å; E1979-H2005 PolarHBondContact O-CE1 3.43Å; E1979-H2005 VanDerWaalsContact O-CE1 3.27Å; E1979-H2005 PolarHBondContact O-NE2 2.96Å; E1979-H2005 VanDerWaalsContact O-NE2 3.16Å |
| 1980 | S | 65.8 | Low | 68.5 | Low | 42.6 Ų | 42.6 | 44.1 Ų | 44.1 | 30% | 0.298 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -4.2 | 176.2 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | K1758 I1976 E1977 F1978 F1982 | K1758-S1980 WeakPolarHBondContact CE-O 3.35Å; K1758-S1980 PolarHBondContact NZ-O 3.05Å; I1976-S1980 PolarHBondContact O-N 2.79Å; I1976-S1980 PolarHBondContact O-OG 3.04Å; E1977-S1980 PolarHBondContact O-N 3.24Å; E1977-S1980 PolarHBondContact O-OG 3.13Å; F1978-S1980 VanDerWaalsContact C-N 3.32Å; F1978-S1980 PolarHBondContact O-N 3.12Å; F1978-S1980 VanDerWaalsContact O-N 3.1Å; S1980-F1982 VanDerWaalsContact C-N 3.34Å; S1980-F1982 WeakPolarHBondContact O-CD1 3.3Å; S1980-F1982 PolarHBondContact O-N 3.08Å; S1980-F1982 VanDerWaalsContact O-N 3.12Å |
| 1981 | D | 76.4 | Confident | 70.7 | Confident | 9 Ų | 9 | 39.9 Ų | 39.9 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | trans | -89.2 | 67 | -175.1 | -84 | -6.8 | 0 | 0 | 0 | 112 | R1493 F1755 R1759 E1977 F1978 R2000 | R1493-D1981 IonicContact CZ-OD1 2.98Å; R1493-D1981 IonicContact CZ-OD2 3.03Å; R1493-D1981 IonicContact NE-OD1 3.66Å; R1493-D1981 IonicContact NE-OD2 3.43Å; R1493-D1981 PolarHBondContact NE-OD2 2.97Å; R1493-D1981 IonicContact NH2-OD1 2.74Å; R1493-D1981 PolarHBondContact NH2-OD1 2.86Å; R1493-D1981 IonicContact NH2-OD2 3.5Å; F1755-D1981 HydrophobicContact CD1-CB 3.88Å; F1755-D1981 HydrophobicContact CE1-CB 4.1Å; F1755-D1981 VanDerWaalsContact CE1-O 3.29Å; F1755-D1981 WeakPolarHBondContact CE1-O 3.34Å; R1759-D1981 IonicContact CZ-OD1 3.43Å; R1759-D1981 IonicContact CZ-OD2 3.07Å; R1759-D1981 IonicContact NE-OD1 3.2Å; R1759-D1981 IonicContact NH1-OD2 2.89Å; R1759-D1981 VanDerWaalsContact NH2-CG 3.3Å; R1759-D1981 IonicContact NH2-OD1 3.44Å; R1759-D1981 PolarHBondContact NH2-OD1 2.92Å; R1759-D1981 IonicContact NH2-OD2 3.32Å; R1759-D1981 PolarHBondContact NH2-OD2 2.96Å; E1977-D1981 VanDerWaalsContact O-CG 3.27Å; E1977-D1981 PolarHBondContact O-N 3.46Å; F1978-D1981 PolarHBondContact O-N 3.15Å; D1981-R2000 HydrophobicContact CB-CB 4.31Å; D1981-R2000 WeakPolarHBondContact O-CB 3.16Å; D1981-R2000 PolarHBondContact O-N 3.3Å; D1981-R2000 WeakPolarHBondContact OD2-CD 3.38Å; D1981-R2000 IonicContact OD2-CZ 3.36Å; D1981-R2000 IonicContact OD2-NH1 3.32Å; D1981-R2000 PolarHBondContact OD2-NH1 3.23Å; D1981-R2000 VanDerWaalsContact OD2-NH1 3.11Å | ||
| 1982 | F | 86.7 | Confident | 73 | Confident | 0.6 Ų | 0.6 | 38.4 Ų | 38.4 | 0% | 0.003 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 156.7 | 170.9 | 71.6 | -86.8 | 0 | 0 | 0 | 111.7 | K1758 Y1821 V1833 V1835 E1979 S1980 L1984 F1997 Q1998 E1999 H2005 L2008 | K1758-F1982 WeakPolarHBondContact CD-O 3.33Å; K1758-F1982 WeakPolarHBondContact CE-O 3.26Å; K1758-F1982 PolarHBondContact NZ-O 3.05Å; Y1821-F1982 HydrophobicContact CD1-CE1 4.43Å; Y1821-F1982 AromaticContact CD1-CZ 3.91Å; Y1821-F1982 HydrophobicContact CD1-CZ 3.91Å; Y1821-F1982 AromaticContact CE1-CE1 3.8Å; Y1821-F1982 HydrophobicContact CE1-CE1 3.8Å; Y1821-F1982 AromaticContact CE1-CZ 3.64Å; Y1821-F1982 HydrophobicContact CE1-CZ 3.64Å; V1833-F1982 HydrophobicContact CG1-CE2 4.41Å; V1835-F1982 HydrophobicContact CG2-CE1 4.25Å; V1835-F1982 HydrophobicContact CG2-CZ 4.3Å; E1979-F1982 WeakPolarHBondContact O-CE1 3.23Å; S1980-F1982 VanDerWaalsContact C-N 3.34Å; S1980-F1982 WeakPolarHBondContact O-CD1 3.3Å; S1980-F1982 PolarHBondContact O-N 3.08Å; S1980-F1982 VanDerWaalsContact O-N 3.12Å; F1982-L1984 HydrophobicContact CD2-CB 4.02Å; F1982-L1984 HydrophobicContact CE2-CB 3.96Å; F1982-F1997 HydrophobicContact CB-CE2 4.22Å; F1982-F1997 HydrophobicContact CD2-CE2 4.2Å; F1982-F1997 HydrophobicContact CG-CE2 4.47Å; F1982-Q1998 CarbonylContact C-O 3.54Å; F1982-Q1998 VanDerWaalsContact CA-O 3.29Å; F1982-Q1998 WeakPolarHBondContact CA-O 3.38Å; F1982-Q1998 WeakPolarHBondContact CB-O 3.45Å; F1982-E1999 HydrophobicContact CB-CB 4.07Å; F1982-H2005 AromaticContact CD1-CD2 3.75Å; F1982-H2005 AromaticContact CD1-CE1 3.49Å; F1982-H2005 WeakPolarHBondContact CD1-CE1 3.34Å; F1982-H2005 AromaticContact CD1-ND1 3.83Å; F1982-H2005 AromaticContact CD1-NE2 3.38Å; F1982-H2005 VanDerWaalsContact CD1-NE2 3.34Å; F1982-H2005 WeakPolarHBondContact CD1-NE2 3.44Å; F1982-H2005 AromaticContact CE1-CD2 3.78Å; F1982-H2005 AromaticContact CE1-CE1 3.74Å; F1982-H2005 AromaticContact CE1-ND1 3.96Å; F1982-H2005 AromaticContact CE1-NE2 3.73Å; F1982-H2005 AromaticContact CG-CD2 3.95Å; F1982-H2005 AromaticContact CG-NE2 3.96Å; F1982-L2008 HydrophobicContact CD2-CD2 4.34Å; F1982-L2008 HydrophobicContact CE1-CD2 4.23Å; F1982-L2008 HydrophobicContact CE2-CD2 3.58Å; F1982-L2008 HydrophobicContact CZ-CD2 3.51Å; F1982-L2008 VanDerWaalsContact CZ-CD2 3.48Å |
| 1983 | W | 88.8 | Confident | 75.2 | Confident | 1.8 Ų | 1.8 | 36 Ų | 36 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.7 | 165.9 | -75.9 | 103.4 | 0 | 0 | 0 | 108.9 | I1754 K1758 I1763 V1771 I1775 I1832 I1985 F1997 Q1998 | I1754-W1983 PolarHBondContact O-NE1 3.11Å; K1758-W1983 VanDerWaalsContact CA-CZ2 3.49Å; K1758-W1983 HydrophobicContact CB-CH2 4.09Å; K1758-W1983 HydrophobicContact CB-CZ2 3.56Å; K1758-W1983 HydrophobicContact CG-CH2 4.35Å; K1758-W1983 HydrophobicContact CG-CZ2 4.21Å; K1758-W1983 VanDerWaalsContact N-CZ2 3.33Å; I1763-W1983 HydrophobicContact CD1-CH2 3.93Å; I1763-W1983 HydrophobicContact CD1-CZ3 4.23Å; I1763-W1983 HydrophobicContact CG1-CH2 4.48Å; I1763-W1983 HydrophobicContact CG2-CH2 4.42Å; V1771-W1983 HydrophobicContact CG1-CB 4.34Å; V1771-W1983 HydrophobicContact CG1-CD2 3.98Å; V1771-W1983 HydrophobicContact CG1-CE3 4.42Å; V1771-W1983 HydrophobicContact CG1-CG 3.95Å; V1771-W1983 HydrophobicContact CG2-CH2 4.39Å; V1771-W1983 HydrophobicContact CG2-CZ2 4.04Å; I1775-W1983 HydrophobicContact CD1-CB 4.37Å; I1832-W1983 HydrophobicContact CD1-CZ3 4.25Å; I1832-W1983 HydrophobicContact CG2-CE3 4.43Å; I1832-W1983 HydrophobicContact CG2-CZ3 4.44Å; W1983-I1985 HydrophobicContact CE3-CD1 3.98Å; W1983-I1985 HydrophobicContact CE3-CG1 4.2Å; W1983-I1985 HydrophobicContact CZ3-CD1 4.49Å; W1983-F1997 CarbonylContact O-C 3.38Å; W1983-F1997 VanDerWaalsContact O-CA 3.28Å; W1983-F1997 WeakPolarHBondContact O-CA 3.26Å; W1983-F1997 VanDerWaalsContact O-CD2 3.31Å; W1983-F1997 WeakPolarHBondContact O-CD2 3.41Å; W1983-Q1998 HydrophobicContact CB-CB 4.4Å; W1983-Q1998 PolarHBondContact N-O 3.08Å; W1983-Q1998 PolarHBondContact O-N 2.9Å |
| 1984 | L | 90.4 | Very high | 77.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 105.5 | 170.7 | -180 | 61.9 | 0 | 0 | 0 | 108.3 | I1832 V1833 F1982 M1995 F1996 F1997 L2008 V2012 | I1832-L1984 WeakPolarHBondContact CA-O 3.26Å; V1833-L1984 HydrophobicContact CB-CB 4.02Å; V1833-L1984 HydrophobicContact CB-CD2 3.86Å; V1833-L1984 HydrophobicContact CB-CG 4.09Å; V1833-L1984 HydrophobicContact CG1-CD2 4.26Å; V1833-L1984 HydrophobicContact CG2-CB 4.23Å; V1833-L1984 HydrophobicContact CG2-CD2 3.57Å; V1833-L1984 VanDerWaalsContact CG2-CD2 3.5Å; V1833-L1984 HydrophobicContact CG2-CG 3.77Å; V1833-L1984 PolarHBondContact N-O 3.12Å; F1982-L1984 HydrophobicContact CD2-CB 4.02Å; F1982-L1984 HydrophobicContact CE2-CB 3.96Å; L1984-M1995 HydrophobicContact CD1-CG 3.68Å; L1984-M1995 HydrophobicContact CD1-SD 3.81Å; L1984-F1996 CarbonylContact C-O 3.55Å; L1984-F1996 WeakPolarHBondContact CA-O 3.38Å; L1984-F1997 HydrophobicContact CB-CD2 4.08Å; L1984-F1997 HydrophobicContact CD1-CB 3.77Å; L1984-F1997 HydrophobicContact CD1-CD2 3.89Å; L1984-F1997 HydrophobicContact CD1-CG 4.24Å; L1984-F1997 HydrophobicContact CG-CD2 4.46Å; L1984-L2008 HydrophobicContact CD2-CD2 4.3Å; L1984-L2008 HydrophobicContact CD2-CG 4.19Å; L1984-V2012 HydrophobicContact CD2-CB 4.38Å; L1984-V2012 HydrophobicContact CD2-CG1 4.46Å; L1984-V2012 HydrophobicContact CD2-CG2 3.84Å |
| 1985 | I | 91.3 | Very high | 79.4 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.7 | -170.4 | -54.5 | 172.2 | 0 | 0 | 0 | 108.3 | I1768 V1771 V1772 Y1830 L1831 I1832 W1983 M1995 F1996 | I1768-I1985 HydrophobicContact CG2-CD1 4.44Å; I1768-I1985 HydrophobicContact CG2-CG2 4.13Å; V1771-I1985 HydrophobicContact CB-CD1 4.16Å; V1771-I1985 HydrophobicContact CG1-CD1 3.69Å; V1772-I1985 HydrophobicContact CG2-CD1 4.06Å; V1772-I1985 HydrophobicContact CG2-CG2 4.15Å; Y1830-I1985 HydrophobicContact CD1-CG2 4Å; L1831-I1985 CarbonylContact O-C 3.58Å; L1831-I1985 WeakPolarHBondContact O-CA 3.34Å; I1832-I1985 HydrophobicContact CG1-CG1 4.33Å; I1832-I1985 HydrophobicContact CG1-CG2 4.47Å; W1983-I1985 HydrophobicContact CE3-CD1 3.98Å; W1983-I1985 HydrophobicContact CE3-CG1 4.2Å; W1983-I1985 HydrophobicContact CZ3-CD1 4.49Å; I1985-M1995 CarbonylContact O-C 3.55Å; I1985-M1995 WeakPolarHBondContact O-CA 3.33Å; I1985-F1996 HydrophobicContact CB-CB 4.37Å; I1985-F1996 PolarHBondContact N-O 3.11Å; I1985-F1996 PolarHBondContact O-N 3.28Å |
| 1986 | L | 91.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.8 | 172.8 | -45.5 | 177.6 | 0 | 0 | 0 | 108.3 | L1813 L1823 Y1830 L1831 L1993 E1994 M1995 V2012 I2016 | L1813-L1986 HydrophobicContact CD2-CD1 4.49Å; L1823-L1986 HydrophobicContact CD1-CD1 3.84Å; L1823-L1986 HydrophobicContact CD1-CG 4.35Å; L1823-L1986 HydrophobicContact CD2-CD1 3.84Å; L1823-L1986 VanDerWaalsContact CD2-CD1 3.49Å; L1823-L1986 HydrophobicContact CG-CD1 4.41Å; Y1830-L1986 WeakPolarHBondContact CA-O 3.36Å; L1831-L1986 HydrophobicContact CB-CB 4.2Å; L1831-L1986 HydrophobicContact CB-CD1 4.46Å; L1831-L1986 PolarHBondContact N-O 3.2Å; L1831-L1986 PolarHBondContact O-N 3.04Å; L1986-L1993 HydrophobicContact CB-CD2 4.15Å; L1986-L1993 HydrophobicContact CB-CG 4.47Å; L1986-L1993 HydrophobicContact CD2-CD2 4.1Å; L1986-E1994 CarbonylContact C-O 3.52Å; L1986-E1994 WeakPolarHBondContact CA-O 3.43Å; L1986-M1995 HydrophobicContact CD2-CB 3.9Å; L1986-M1995 HydrophobicContact CD2-CG 3.65Å; L1986-M1995 HydrophobicContact CD2-SD 4.11Å; L1986-V2012 HydrophobicContact CD1-CG1 4.42Å; L1986-V2012 HydrophobicContact CD2-CG1 4.27Å; L1986-I2016 HydrophobicContact CD1-CD1 4.16Å; L1986-I2016 HydrophobicContact CD2-CD1 4.3Å |
| 1987 | C | 91.4 | Very high | 82.9 | Confident | 1.8 Ų | 1.8 | 24.2 Ų | 24.2 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.2 | 176.9 | -177 | 0 | 0 | 0 | 0 | 109.5 | N1829 Y1830 L1993 E1994 F1996 | N1829-C1987 CarbonylContact O-C 3.53Å; N1829-C1987 VanDerWaalsContact O-CA 3.31Å; N1829-C1987 WeakPolarHBondContact O-CA 3.37Å; Y1830-C1987 HydrophobicContact CD1-CB 3.83Å; Y1830-C1987 HydrophobicContact CE1-CB 3.62Å; Y1830-C1987 WeakPolarHBondContact CE1-SG 3.3Å; C1987-L1993 CarbonylContact O-C 3.51Å; C1987-L1993 WeakPolarHBondContact O-CA 3.33Å; C1987-E1994 HydrophobicContact CB-CB 4.27Å; C1987-E1994 PolarHBondContact N-O 2.99Å; C1987-E1994 PolarHBondContact O-N 2.97Å; C1987-F1996 HydrophobicContact CB-CD2 4.47Å; C1987-F1996 HydrophobicContact CB-CE2 3.97Å |
| 1988 | I | 87.8 | Confident | 84.4 | Confident | 11 Ų | 11 | 20.3 Ų | 20.3 | 6% | 0.056 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.7 | 179.6 | -61 | 150.1 | 0 | 0 | 0 | 108.4 | L1806 L1810 N1829 L1831 L1993 | L1806-I1988 HydrophobicContact CD1-CG2 4.44Å; L1810-I1988 HydrophobicContact CD2-CD1 3.28Å; L1810-I1988 HydrophobicContact CD2-CG1 4.14Å; N1829-I1988 PolarHBondContact O-N 2.99Å; L1831-I1988 HydrophobicContact CD1-CD1 3.66Å; I1988-L1993 HydrophobicContact CD1-CD1 4.22Å; I1988-L1993 HydrophobicContact CG1-CD1 4.3Å; I1988-L1993 HydrophobicContact CG1-CG 4.27Å |
| 1989 | K | 85.1 | Confident | 85.6 | Confident | 100 Ų | 100 | 19.7 Ų | 19.7 | 44% | 0.435 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 90.7 | 177.3 | -69.6 | 177.1 | -179.1 | 164.3 | 0 | 109.2 | M1991 V1992 E1994 | K1989-M1991 PolarHBondContact O-N 3.21Å; K1989-V1992 PolarHBondContact N-O 3.13Å; K1989-V1992 PolarHBondContact O-N 3.24Å; K1989-V1992 VanDerWaalsContact O-N 3.14Å; K1989-E1994 VanDerWaalsContact NZ-CD 3.31Å; K1989-E1994 IonicContact NZ-OE1 2.99Å; K1989-E1994 PolarHBondContact NZ-OE1 3.12Å; K1989-E1994 VanDerWaalsContact NZ-OE1 3.07Å; K1989-E1994 IonicContact NZ-OE2 3.17Å; K1989-E1994 PolarHBondContact NZ-OE2 3.09Å |
| 1990 | G | 83.4 | Confident | 86.3 | Confident | 48.8 Ų | 48.8 | 18.9 Ų | 18.9 | 50% | 0.503 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -118.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1992 | G1990-V1992 VanDerWaalsContact C-N 3.33Š|
| 1991 | M | 85.6 | Confident | 86.4 | Confident | 56.2 Ų | 56.2 | 21.6 Ų | 21.6 | 28% | 0.277 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 16.4 | -179.8 | -56.7 | -56.4 | 168.2 | 0 | 0 | 113.5 | L1796 F1798 E1802 L1806 K1989 | L1796-M1991 WeakPolarHBondContact CB-O 3.42Å; L1796-M1991 PolarHBondContact N-O 3.04Å; F1798-M1991 HydrophobicContact CD2-SD 4.03Å; F1798-M1991 HydrophobicContact CE2-SD 4.15Å; E1802-M1991 HydrophobicContact CB-CE 3.48Å; E1802-M1991 VanDerWaalsContact CB-CE 3.45Å; E1802-M1991 HydrophobicContact CB-SD 4.25Å; L1806-M1991 HydrophobicContact CB-SD 4.48Å; L1806-M1991 HydrophobicContact CD2-CE 4.36Å; L1806-M1991 HydrophobicContact CD2-SD 4.32Å; K1989-M1991 PolarHBondContact O-N 3.21Å |
| 1992 | V | 87.4 | Confident | 86.2 | Confident | 53.4 Ų | 53.4 | 25.2 Ų | 25.2 | 32% | 0.324 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.7 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | T1793 K1989 G1990 E1994 | T1793-V1992 HydrophobicContact CG2-CG1 3.28Å; K1989-V1992 PolarHBondContact N-O 3.13Å; K1989-V1992 PolarHBondContact O-N 3.24Å; K1989-V1992 VanDerWaalsContact O-N 3.14Å; G1990-V1992 VanDerWaalsContact C-N 3.33Å; V1992-E1994 HydrophobicContact CG1-CG 4.46Å |
| 1993 | L | 90.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.4 | 172.3 | -172.3 | 157.3 | 0 | 0 | 0 | 108.8 | I1794 L1796 F1809 L1813 L1986 C1987 I1988 M1995 I2016 | I1794-L1993 HydrophobicContact CB-CB 4.43Å; I1794-L1993 HydrophobicContact CB-CD2 4.4Å; I1794-L1993 WeakPolarHBondContact CB-O 3.31Å; I1794-L1993 HydrophobicContact CD1-CD2 4.11Å; I1794-L1993 HydrophobicContact CG1-CD2 4.43Å; I1794-L1993 PolarHBondContact N-O 3.17Å; I1794-L1993 PolarHBondContact O-N 3.06Å; L1796-L1993 HydrophobicContact CD1-CB 4.29Å; L1796-L1993 HydrophobicContact CD2-CB 4.13Å; L1796-L1993 HydrophobicContact CG-CB 4.24Å; F1809-L1993 HydrophobicContact CE1-CD1 4.35Å; F1809-L1993 HydrophobicContact CZ-CD1 4.23Å; L1813-L1993 HydrophobicContact CD2-CD1 4.38Å; L1986-L1993 HydrophobicContact CB-CD2 4.15Å; L1986-L1993 HydrophobicContact CB-CG 4.47Å; L1986-L1993 HydrophobicContact CD2-CD2 4.1Å; C1987-L1993 CarbonylContact O-C 3.51Å; C1987-L1993 WeakPolarHBondContact O-CA 3.33Å; I1988-L1993 HydrophobicContact CD1-CD1 4.22Å; I1988-L1993 HydrophobicContact CG1-CD1 4.3Å; I1988-L1993 HydrophobicContact CG1-CG 4.27Å; L1993-M1995 HydrophobicContact CD2-CB 4.47Å; L1993-I2016 HydrophobicContact CD1-CD1 4.26Å; L1993-I2016 HydrophobicContact CD1-CG1 4.49Å; L1993-I2016 HydrophobicContact CD1-CG2 4.44Å; L1993-I2016 HydrophobicContact CD2-CD1 4.04Å |
| 1994 | E | 91.3 | Very high | 84.6 | Confident | 35.6 Ų | 35.6 | 31.3 Ų | 31.3 | 17% | 0.166 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 125.3 | 173.7 | -61 | 178.4 | 171.7 | 0 | 0 | 109.3 | R1776 E1792 T1793 L1986 C1987 K1989 V1992 F1996 | R1776-E1994 IonicContact NH2-OE2 3.58Å; R1776-E1994 PolarHBondContact NH2-OE2 3.42Å; E1792-E1994 CarbonylContact O-C 3.52Å; E1792-E1994 WeakPolarHBondContact O-CA 3.38Å; T1793-E1994 HydrophobicContact CG2-CG 4.34Å; L1986-E1994 CarbonylContact C-O 3.52Å; L1986-E1994 WeakPolarHBondContact CA-O 3.43Å; C1987-E1994 HydrophobicContact CB-CB 4.27Å; C1987-E1994 PolarHBondContact N-O 2.99Å; C1987-E1994 PolarHBondContact O-N 2.97Å; K1989-E1994 VanDerWaalsContact NZ-CD 3.31Å; K1989-E1994 IonicContact NZ-OE1 2.99Å; K1989-E1994 PolarHBondContact NZ-OE1 3.12Å; K1989-E1994 VanDerWaalsContact NZ-OE1 3.07Å; K1989-E1994 IonicContact NZ-OE2 3.17Å; K1989-E1994 PolarHBondContact NZ-OE2 3.09Å; V1992-E1994 HydrophobicContact CG1-CG 4.46Å; E1994-F1996 HydrophobicContact CB-CD2 4.47Å; E1994-F1996 HydrophobicContact CB-CE2 3.57Å; E1994-F1996 HydrophobicContact CB-CZ 3.82Å; E1994-F1996 VanDerWaalsContact OE2-CZ 3.3Å; E1994-F1996 WeakPolarHBondContact OE2-CZ 3.41Å |
| 1995 | M | 91.8 | Very high | 84.1 | Confident | 0.2 Ų | 0.2 | 31.8 Ų | 31.8 | 0% | 0.001 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.8 | 175.5 | 179.7 | 174.1 | 77.1 | 0 | 0 | 109.5 | L1790 T1791 E1792 L1984 I1985 L1986 L1993 V2009 V2012 L2013 | L1790-M1995 HydrophobicContact CD2-CE 4.03Å; T1791-M1995 CarbonylContact C-O 3.49Å; T1791-M1995 WeakPolarHBondContact CA-O 3.36Å; E1792-M1995 HydrophobicContact CB-CB 4.32Å; E1792-M1995 HydrophobicContact CB-CE 3.94Å; E1792-M1995 HydrophobicContact CG-CE 4.09Å; E1792-M1995 PolarHBondContact N-O 3.18Å; E1792-M1995 PolarHBondContact O-N 3.04Å; E1792-M1995 WeakPolarHBondContact OE2-CE 3.35Å; L1984-M1995 HydrophobicContact CD1-CG 3.68Å; L1984-M1995 HydrophobicContact CD1-SD 3.81Å; I1985-M1995 CarbonylContact O-C 3.55Å; I1985-M1995 WeakPolarHBondContact O-CA 3.33Å; L1986-M1995 HydrophobicContact CD2-CB 3.9Å; L1986-M1995 HydrophobicContact CD2-CG 3.65Å; L1986-M1995 HydrophobicContact CD2-SD 4.11Å; L1993-M1995 HydrophobicContact CD2-CB 4.47Å; M1995-V2009 HydrophobicContact CE-CG1 3.64Å; M1995-V2009 HydrophobicContact SD-CG1 4.45Å; M1995-V2012 HydrophobicContact SD-CG1 4.41Å; M1995-L2013 HydrophobicContact CE-CD1 4.06Å; M1995-L2013 HydrophobicContact CE-CD2 3.74Å; M1995-L2013 HydrophobicContact CE-CG 3.88Å; M1995-L2013 HydrophobicContact SD-CD2 4.12Å; M1995-L2013 HydrophobicContact SD-CG 4.31Å |
| 1996 | F | 90.3 | Very high | 83.5 | Confident | 0.2 Ų | 0.2 | 34.8 Ų | 34.8 | 0% | 0.001 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 116.7 | 175.1 | -58.9 | -84.4 | 0 | 0 | 0 | 108.7 | V1772 I1775 R1776 T1791 L1984 I1985 C1987 E1994 | V1772-F1996 HydrophobicContact CG1-CD1 4.07Å; V1772-F1996 HydrophobicContact CG1-CD2 3.96Å; V1772-F1996 HydrophobicContact CG1-CE1 3.84Å; V1772-F1996 HydrophobicContact CG1-CE2 3.72Å; V1772-F1996 HydrophobicContact CG1-CG 4.14Å; V1772-F1996 HydrophobicContact CG1-CZ 3.68Å; V1772-F1996 HydrophobicContact CG2-CD2 3.93Å; V1772-F1996 HydrophobicContact CG2-CE2 4.38Å; V1772-F1996 HydrophobicContact CG2-CG 4.19Å; I1775-F1996 HydrophobicContact CB-CD1 4.49Å; I1775-F1996 HydrophobicContact CD1-CB 3.98Å; I1775-F1996 HydrophobicContact CG2-CB 4.17Å; I1775-F1996 HydrophobicContact CG2-CD1 4.15Å; R1776-F1996 HydrophobicContact CG-CE1 3.92Å; R1776-F1996 VanDerWaalsContact NH2-CZ 3.25Å; T1791-F1996 HydrophobicContact CG2-CD1 3.81Å; T1791-F1996 HydrophobicContact CG2-CE1 3.5Å; T1791-F1996 VanDerWaalsContact CG2-CE1 3.45Å; T1791-F1996 HydrophobicContact CG2-CZ 4.27Å; L1984-F1996 CarbonylContact C-O 3.55Å; L1984-F1996 WeakPolarHBondContact CA-O 3.38Å; I1985-F1996 HydrophobicContact CB-CB 4.37Å; I1985-F1996 PolarHBondContact N-O 3.11Å; I1985-F1996 PolarHBondContact O-N 3.28Å; C1987-F1996 HydrophobicContact CB-CD2 4.47Å; C1987-F1996 HydrophobicContact CB-CE2 3.97Å; E1994-F1996 HydrophobicContact CB-CD2 4.47Å; E1994-F1996 HydrophobicContact CB-CE2 3.57Å; E1994-F1996 HydrophobicContact CB-CZ 3.82Å; E1994-F1996 VanDerWaalsContact OE2-CZ 3.3Å; E1994-F1996 WeakPolarHBondContact OE2-CZ 3.41Å |
| 1997 | F | 89.7 | Confident | 82.9 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136 | 179.5 | 174.1 | -108.5 | 0 | 0 | 0 | 110.2 | A1789 L1790 F1982 W1983 L1984 E1999 H2005 V2009 | A1789-F1997 CarbonylContact C-O 3.48Å; A1789-F1997 VanDerWaalsContact CA-O 3.31Å; A1789-F1997 WeakPolarHBondContact CA-O 3.3Å; L1790-F1997 HydrophobicContact CB-CB 4.18Å; L1790-F1997 HydrophobicContact CB-CD1 4.14Å; L1790-F1997 HydrophobicContact CD2-CB 4.49Å; L1790-F1997 PolarHBondContact N-O 2.99Å; L1790-F1997 PolarHBondContact O-N 3.03Å; F1982-F1997 HydrophobicContact CB-CE2 4.22Å; F1982-F1997 HydrophobicContact CD2-CE2 4.2Å; F1982-F1997 HydrophobicContact CG-CE2 4.47Å; W1983-F1997 CarbonylContact O-C 3.38Å; W1983-F1997 VanDerWaalsContact O-CA 3.28Å; W1983-F1997 WeakPolarHBondContact O-CA 3.26Å; W1983-F1997 VanDerWaalsContact O-CD2 3.31Å; W1983-F1997 WeakPolarHBondContact O-CD2 3.41Å; L1984-F1997 HydrophobicContact CB-CD2 4.08Å; L1984-F1997 HydrophobicContact CD1-CB 3.77Å; L1984-F1997 HydrophobicContact CD1-CD2 3.89Å; L1984-F1997 HydrophobicContact CD1-CG 4.24Å; L1984-F1997 HydrophobicContact CG-CD2 4.46Å; F1997-E1999 HydrophobicContact CE1-CB 4.2Å; F1997-E1999 HydrophobicContact CE1-CG 3.91Å; F1997-E1999 HydrophobicContact CE2-CB 4.3Å; F1997-E1999 HydrophobicContact CZ-CB 3.65Å; F1997-E1999 HydrophobicContact CZ-CG 3.79Å; F1997-H2005 HydrophobicContact CE2-CB 4.1Å; F1997-H2005 HydrophobicContact CZ-CB 3.87Å; F1997-V2009 HydrophobicContact CB-CG2 4.47Å; F1997-V2009 HydrophobicContact CD1-CG2 3.72Å; F1997-V2009 HydrophobicContact CD2-CG2 3.68Å; F1997-V2009 HydrophobicContact CE1-CG2 3.73Å; F1997-V2009 HydrophobicContact CE2-CG2 3.69Å; F1997-V2009 HydrophobicContact CG-CG2 3.68Å; F1997-V2009 HydrophobicContact CZ-CG2 3.71Å |
| 1998 | Q | 86.7 | Confident | 82.5 | Confident | 1.8 Ų | 1.8 | 39 Ų | 39 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 124.3 | 172.6 | -172.9 | -178 | 5.3 | 0 | 0 | 109 | N1751 F1755 I1775 I1778 S1788 A1789 F1982 W1983 | N1751-Q1998 PolarHBondContact OD1-NE2 2.95Å; F1755-Q1998 HydrophobicContact CE1-CG 4.46Å; F1755-Q1998 HydrophobicContact CZ-CG 3.9Å; I1775-Q1998 HydrophobicContact CD1-CB 3.84Å; I1775-Q1998 HydrophobicContact CG1-CB 3.92Å; I1775-Q1998 HydrophobicContact CG1-CG 4.46Å; I1775-Q1998 VanDerWaalsContact CG1-OE1 3.23Å; I1778-Q1998 HydrophobicContact CD1-CG 4.41Å; S1788-Q1998 WeakPolarHBondContact O-CA 3.29Å; A1789-Q1998 HydrophobicContact CB-CG 4.49Å; F1982-Q1998 CarbonylContact C-O 3.54Å; F1982-Q1998 VanDerWaalsContact CA-O 3.29Å; F1982-Q1998 WeakPolarHBondContact CA-O 3.38Å; F1982-Q1998 WeakPolarHBondContact CB-O 3.45Å; W1983-Q1998 HydrophobicContact CB-CB 4.4Å; W1983-Q1998 PolarHBondContact N-O 3.08Å; W1983-Q1998 PolarHBondContact O-N 2.9Å |
| 1999 | E | 83.8 | Confident | 82.3 | Confident | 5.2 Ų | 5.2 | 38.9 Ų | 38.9 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 151 | 171.7 | 65.1 | -176.9 | 171 | 0 | 0 | 110.3 | R1558 F1755 S1788 F1982 F1997 K2001 P2002 G2003 F2004 H2005 | R1558-E1999 IonicContact NH2-OE1 3.95Å; R1558-E1999 PolarHBondContact NH2-OE1 2.98Å; F1755-E1999 VanDerWaalsContact CZ-C 3.5Å; S1788-E1999 PolarHBondContact O-N 2.9Å; S1788-E1999 VanDerWaalsContact O-N 3.1Å; S1788-E1999 WeakPolarHBondContact OG-CG 3.41Å; S1788-E1999 PolarHBondContact OG-O 2.85Å; F1982-E1999 HydrophobicContact CB-CB 4.07Å; F1997-E1999 HydrophobicContact CE1-CB 4.2Å; F1997-E1999 HydrophobicContact CE1-CG 3.91Å; F1997-E1999 HydrophobicContact CE2-CB 4.3Å; F1997-E1999 HydrophobicContact CZ-CB 3.65Å; F1997-E1999 HydrophobicContact CZ-CG 3.79Å; E1999-K2001 VanDerWaalsContact CG-O 3.32Å; E1999-K2001 WeakPolarHBondContact CG-O 3.33Å; E1999-P2002 VanDerWaalsContact OE1-C 3.31Å; E1999-P2002 VanDerWaalsContact OE1-CA 3.27Å; E1999-P2002 WeakPolarHBondContact OE1-CA 3.33Å; E1999-G2003 PolarHBondContact OE1-N 2.78Å; E1999-F2004 PolarHBondContact OE2-N 3.08Å; E1999-H2005 IonicContact OE2-CD2 2.99Å; E1999-H2005 PolarHBondContact OE2-CD2 3.15Å; E1999-H2005 IonicContact OE2-CE1 2.65Å; E1999-H2005 IonicContact OE2-CG 3.19Å; E1999-H2005 PolarHBondContact OE2-N 2.93Å; E1999-H2005 IonicContact OE2-ND1 2.7Å; E1999-H2005 PolarHBondContact OE2-ND1 3.2Å |
| 2000 | R | 75.5 | Confident | 82.3 | Confident | 24.2 Ų | 24.2 | 38 Ų | 38 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -73 | -37.3 | -178.4 | -172.6 | 177.6 | -118.8 | 175.4 | 2.3 | 112.3 | R1493 Y1496 E1752 F1755 F1978 D1981 | R1493-R2000 VanDerWaalsContact CD-NH1 3.33Å; R1493-R2000 VanDerWaalsContact CG-NH1 3.3Å; Y1496-R2000 HydrophobicContact CD1-CG 4.38Å; Y1496-R2000 HydrophobicContact CE1-CG 3.89Å; Y1496-R2000 PolarHBondContact OH-O 3.44Å; Y1496-R2000 VanDerWaalsContact OH-O 3.08Å; E1752-R2000 VanDerWaalsContact CD-NH2 3.29Å; E1752-R2000 IonicContact OE1-CZ 3.64Å; E1752-R2000 VanDerWaalsContact OE1-CZ 3.24Å; E1752-R2000 IonicContact OE1-NE 3.2Å; E1752-R2000 PolarHBondContact OE1-NE 3.17Å; E1752-R2000 IonicContact OE1-NH1 2.79Å; E1752-R2000 PolarHBondContact OE1-NH1 2.98Å; E1752-R2000 IonicContact OE1-NH2 3.37Å; E1752-R2000 PolarHBondContact OE1-NH2 3.27Å; E1752-R2000 VanDerWaalsContact OE1-NH2 3.09Å; E1752-R2000 IonicContact OE2-CZ 3.44Å; E1752-R2000 VanDerWaalsContact OE2-CZ 3.3Å; E1752-R2000 IonicContact OE2-NE 3.32Å; E1752-R2000 IonicContact OE2-NH1 3Å; E1752-R2000 PolarHBondContact OE2-NH1 2.88Å; E1752-R2000 IonicContact OE2-NH2 3.01Å; E1752-R2000 PolarHBondContact OE2-NH2 3.13Å; F1755-R2000 HydrophobicContact CD2-CB 4.39Å; F1755-R2000 HydrophobicContact CD2-CG 4.19Å; F1755-R2000 HydrophobicContact CE1-CB 4.26Å; F1755-R2000 HydrophobicContact CE2-CB 3.92Å; F1755-R2000 HydrophobicContact CE2-CG 4.25Å; F1755-R2000 HydrophobicContact CZ-CB 3.81Å; F1755-R2000 HydrophobicContact CZ-CG 4.35Å; F1755-R2000 VanDerWaalsContact CZ-N 3.34Å; F1978-R2000 HydrophobicContact CE2-CG 4.49Å; F1978-R2000 VanDerWaalsContact CE2-NH1 3.3Å; F1978-R2000 VanDerWaalsContact CZ-CD 3.5Å; F1978-R2000 HydrophobicContact CZ-CG 4.24Å; D1981-R2000 HydrophobicContact CB-CB 4.31Å; D1981-R2000 WeakPolarHBondContact O-CB 3.16Å; D1981-R2000 PolarHBondContact O-N 3.3Å; D1981-R2000 WeakPolarHBondContact OD2-CD 3.38Å; D1981-R2000 IonicContact OD2-CZ 3.36Å; D1981-R2000 IonicContact OD2-NH1 3.32Å; D1981-R2000 PolarHBondContact OD2-NH1 3.23Å; D1981-R2000 VanDerWaalsContact OD2-NH1 3.11Å |
| 2001 | K | 69.4 | Low | 82.4 | Confident | 98.8 Ų | 98.8 | 39.1 Ų | 39.1 | 43% | 0.43 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -116.9 | 120.3 | 177.5 | -110.8 | -177.4 | 178.5 | 178.8 | 0 | 109.3 | Y1496 F1978 E1999 G2003 F2004 | Y1496-K2001 HydrophobicContact CE2-CG 4.45Å; F1978-K2001 HydrophobicContact CD1-CD 3.97Å; F1978-K2001 HydrophobicContact CD2-CD 4.3Å; F1978-K2001 HydrophobicContact CE1-CD 4.01Å; F1978-K2001 HydrophobicContact CE2-CD 4.42Å; F1978-K2001 VanDerWaalsContact CE2-NZ 3.3Å; F1978-K2001 HydrophobicContact CG-CD 4.27Å; F1978-K2001 HydrophobicContact CZ-CD 4.33Å; E1999-K2001 VanDerWaalsContact CG-O 3.32Å; E1999-K2001 WeakPolarHBondContact CG-O 3.33Å; K2001-G2003 PolarHBondContact O-N 3.17Å; K2001-F2004 HydrophobicContact CB-CB 4.3Å; K2001-F2004 PolarHBondContact O-N 2.62Å |
| 2002 | P | 70.6 | Confident | 82.4 | Confident | 83.6 Ų | 83.6 | 36.6 Ų | 36.6 | 54% | 0.543 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 136.2 | -178.8 | 22.2 | -31.2 | 0 | 0 | 0 | 112.1 | S1788 E1999 | S1788-P2002 VanDerWaalsContact OG-CA 3.29Å; S1788-P2002 WeakPolarHBondContact OG-CA 3.24Å; E1999-P2002 VanDerWaalsContact OE1-C 3.31Å; E1999-P2002 VanDerWaalsContact OE1-CA 3.27Å; E1999-P2002 WeakPolarHBondContact OE1-CA 3.33Å |
| 2003 | G | 70.4 | Confident | 82.3 | Confident | 43 Ų | 43 | 35.2 Ų | 35.2 | 44% | 0.443 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 3.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E1999 K2001 D2006 | E1999-G2003 PolarHBondContact OE1-N 2.78Å; K2001-G2003 PolarHBondContact O-N 3.17Å; G2003-D2006 WeakPolarHBondContact CA-OD2 3.49Å |
| 2004 | F | 72.4 | Confident | 82.1 | Confident | 88.2 Ų | 88.2 | 41.3 Ų | 41.3 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -82.9 | -34.1 | -178.1 | -152.2 | -88.9 | 0 | 0 | 0 | 112.3 | N1975 E1979 E1999 K2001 | N1975-F2004 HydrophobicContact CB-CE2 4.34Å; N1975-F2004 HydrophobicContact CB-CZ 4.37Å; E1979-F2004 HydrophobicContact CB-CE1 3.73Å; E1979-F2004 HydrophobicContact CB-CZ 4.02Å; E1979-F2004 HydrophobicContact CG-CE1 3.87Å; E1979-F2004 HydrophobicContact CG-CZ 4.27Å; E1999-F2004 PolarHBondContact OE2-N 3.08Å; K2001-F2004 HydrophobicContact CB-CB 4.3Å; K2001-F2004 PolarHBondContact O-N 2.62Å |
| 2005 | H | 80.2 | Confident | 81.9 | Confident | 10.2 Ų | 10.2 | 40.6 Ų | 40.6 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -116.7 | 19.3 | -175.8 | -54.9 | -72.1 | 0 | 0 | 0 | 113.7 | Y1821 F1978 E1979 F1982 F1997 E1999 S2007 L2008 V2009 | Y1821-H2005 PolarHBondContact OH-ND1 3.02Å; F1978-H2005 PolarHBondContact O-NE2 3.06Å; E1979-H2005 PolarHBondContact O-CE1 3.43Å; E1979-H2005 VanDerWaalsContact O-CE1 3.27Å; E1979-H2005 PolarHBondContact O-NE2 2.96Å; E1979-H2005 VanDerWaalsContact O-NE2 3.16Å; F1982-H2005 AromaticContact CD1-CD2 3.75Å; F1982-H2005 AromaticContact CD1-CE1 3.49Å; F1982-H2005 WeakPolarHBondContact CD1-CE1 3.34Å; F1982-H2005 AromaticContact CD1-ND1 3.83Å; F1982-H2005 AromaticContact CD1-NE2 3.38Å; F1982-H2005 VanDerWaalsContact CD1-NE2 3.34Å; F1982-H2005 WeakPolarHBondContact CD1-NE2 3.44Å; F1982-H2005 AromaticContact CE1-CD2 3.78Å; F1982-H2005 AromaticContact CE1-CE1 3.74Å; F1982-H2005 AromaticContact CE1-ND1 3.96Å; F1982-H2005 AromaticContact CE1-NE2 3.73Å; F1982-H2005 AromaticContact CG-CD2 3.95Å; F1982-H2005 AromaticContact CG-NE2 3.96Å; F1997-H2005 HydrophobicContact CE2-CB 4.1Å; F1997-H2005 HydrophobicContact CZ-CB 3.87Å; E1999-H2005 IonicContact OE2-CD2 2.99Å; E1999-H2005 PolarHBondContact OE2-CD2 3.15Å; E1999-H2005 IonicContact OE2-CE1 2.65Å; E1999-H2005 IonicContact OE2-CG 3.19Å; E1999-H2005 PolarHBondContact OE2-N 2.93Å; E1999-H2005 IonicContact OE2-ND1 2.7Å; E1999-H2005 PolarHBondContact OE2-ND1 3.2Å; H2005-S2007 PolarHBondContact O-N 3.21Å; H2005-L2008 HydrophobicContact CB-CB 4.24Å; H2005-L2008 HydrophobicContact CB-CD2 4.39Å; H2005-L2008 WeakPolarHBondContact O-CB 3.2Å; H2005-L2008 PolarHBondContact O-N 3.04Å; H2005-L2008 VanDerWaalsContact O-N 3.09Å; H2005-V2009 PolarHBondContact O-N 3.25Å; H2005-V2009 VanDerWaalsContact O-N 3.11Å |
| 2006 | D | 77.3 | Confident | 81.6 | Confident | 62.8 Ų | 62.8 | 40.8 Ų | 40.8 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.8 | -35.9 | 178.6 | -79.6 | -18.7 | 0 | 0 | 0 | 112.2 | R1549 R1558 G2003 V2009 N2010 | R1549-D2006 IonicContact CZ-OD2 3.83Å; R1549-D2006 IonicContact NH2-OD2 3.44Å; R1549-D2006 PolarHBondContact NH2-OD2 3.49Å; R1558-D2006 IonicContact CZ-OD1 2.76Å; R1558-D2006 IonicContact CZ-OD2 3.89Å; R1558-D2006 IonicContact NH2-OD1 3.93Å; R1558-D2006 PolarHBondContact NH2-OD1 3.38Å; R1558-D2006 IonicContact NH2-OD2 3.71Å; G2003-D2006 WeakPolarHBondContact CA-OD2 3.49Å; D2006-V2009 PolarHBondContact O-N 2.97Å; D2006-N2010 WeakPolarHBondContact O-CB 3.28Å; D2006-N2010 VanDerWaalsContact O-CG 3.24Å; D2006-N2010 PolarHBondContact O-N 3.07Å; D2006-N2010 PolarHBondContact O-ND2 3.18Å |
| 2007 | S | 79.9 | Confident | 81.4 | Confident | 77.8 Ų | 77.8 | 46.6 Ų | 46.6 | 54% | 0.544 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 174 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | H2005 V2009 N2010 D2011 | H2005-S2007 PolarHBondContact O-N 3.21Å; S2007-V2009 VanDerWaalsContact C-N 3.34Å; S2007-V2009 PolarHBondContact O-N 3.29Å; S2007-N2010 PolarHBondContact O-N 3.27Å; S2007-N2010 VanDerWaalsContact O-N 3.16Å; S2007-D2011 WeakPolarHBondContact O-CB 3.38Å; S2007-D2011 PolarHBondContact O-N 3.12Å |
| 2008 | L | 82.5 | Confident | 81.3 | Confident | 12.4 Ų | 12.4 | 49.1 Ų | 49.1 | 7% | 0.065 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -45.2 | 178 | 174.4 | 63.7 | 0 | 0 | 0 | 111.8 | I1818 Y1821 V1833 F1982 L1984 H2005 N2010 D2011 V2012 | I1818-L2008 HydrophobicContact CG2-CD1 4.21Å; Y1821-L2008 HydrophobicContact CD1-CD1 4.16Å; Y1821-L2008 HydrophobicContact CD1-CD2 3.91Å; Y1821-L2008 HydrophobicContact CD2-CD1 3.45Å; Y1821-L2008 VanDerWaalsContact CD2-CD1 3.45Å; Y1821-L2008 HydrophobicContact CD2-CD2 4.41Å; Y1821-L2008 HydrophobicContact CD2-CG 4.43Å; Y1821-L2008 HydrophobicContact CE1-CD1 4.4Å; Y1821-L2008 HydrophobicContact CE1-CD2 3.69Å; Y1821-L2008 HydrophobicContact CE2-CB 4.45Å; Y1821-L2008 HydrophobicContact CE2-CD1 3.82Å; Y1821-L2008 HydrophobicContact CE2-CD2 4.21Å; Y1821-L2008 HydrophobicContact CE2-CG 4.38Å; Y1821-L2008 HydrophobicContact CG-CD1 3.63Å; Y1821-L2008 HydrophobicContact CG-CD2 4.25Å; V1833-L2008 HydrophobicContact CG1-CD1 4.32Å; V1833-L2008 HydrophobicContact CG1-CD2 4.4Å; F1982-L2008 HydrophobicContact CD2-CD2 4.34Å; F1982-L2008 HydrophobicContact CE1-CD2 4.23Å; F1982-L2008 HydrophobicContact CE2-CD2 3.58Å; F1982-L2008 HydrophobicContact CZ-CD2 3.51Å; F1982-L2008 VanDerWaalsContact CZ-CD2 3.48Å; L1984-L2008 HydrophobicContact CD2-CD2 4.3Å; L1984-L2008 HydrophobicContact CD2-CG 4.19Å; H2005-L2008 HydrophobicContact CB-CB 4.24Å; H2005-L2008 HydrophobicContact CB-CD2 4.39Å; H2005-L2008 WeakPolarHBondContact O-CB 3.2Å; H2005-L2008 PolarHBondContact O-N 3.04Å; H2005-L2008 VanDerWaalsContact O-N 3.09Å; L2008-N2010 VanDerWaalsContact C-N 3.33Å; L2008-N2010 PolarHBondContact O-N 3.12Å; L2008-D2011 PolarHBondContact O-N 3.26Å; L2008-V2012 HydrophobicContact CD1-CG2 3.99Å; L2008-V2012 HydrophobicContact CG-CG2 4.47Å; L2008-V2012 WeakPolarHBondContact O-CB 3.4Å; L2008-V2012 VanDerWaalsContact O-CG2 3.25Å; L2008-V2012 WeakPolarHBondContact O-CG2 3.43Å; L2008-V2012 PolarHBondContact O-N 3.12Å |
| 2009 | V | 84.1 | Confident | 81.4 | Confident | 8.8 Ų | 8.8 | 49.6 Ų | 49.6 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 178.9 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | L1790 M1995 F1997 H2005 D2006 S2007 V2012 L2013 | L1790-V2009 HydrophobicContact CD2-CG1 3.84Å; M1995-V2009 HydrophobicContact CE-CG1 3.64Å; M1995-V2009 HydrophobicContact SD-CG1 4.45Å; F1997-V2009 HydrophobicContact CB-CG2 4.47Å; F1997-V2009 HydrophobicContact CD1-CG2 3.72Å; F1997-V2009 HydrophobicContact CD2-CG2 3.68Å; F1997-V2009 HydrophobicContact CE1-CG2 3.73Å; F1997-V2009 HydrophobicContact CE2-CG2 3.69Å; F1997-V2009 HydrophobicContact CG-CG2 3.68Å; F1997-V2009 HydrophobicContact CZ-CG2 3.71Å; H2005-V2009 PolarHBondContact O-N 3.25Å; H2005-V2009 VanDerWaalsContact O-N 3.11Å; D2006-V2009 PolarHBondContact O-N 2.97Å; S2007-V2009 VanDerWaalsContact C-N 3.34Å; S2007-V2009 PolarHBondContact O-N 3.29Å; V2009-V2012 PolarHBondContact O-N 3.05Å; V2009-L2013 HydrophobicContact CG1-CD1 4.28Å; V2009-L2013 WeakPolarHBondContact O-CB 3.49Å; V2009-L2013 VanDerWaalsContact O-CG 3.31Å; V2009-L2013 WeakPolarHBondContact O-CG 3.31Å; V2009-L2013 PolarHBondContact O-N 3.28Å |
| 2010 | N | 85.5 | Confident | 81.6 | Confident | 82.4 Ų | 82.4 | 50.8 Ų | 50.8 | 44% | 0.441 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 177.1 | -72 | -44.7 | 0 | 0 | 0 | 112 | D2006 S2007 L2008 V2012 L2013 E2014 | D2006-N2010 WeakPolarHBondContact O-CB 3.28Å; D2006-N2010 VanDerWaalsContact O-CG 3.24Å; D2006-N2010 PolarHBondContact O-N 3.07Å; D2006-N2010 PolarHBondContact O-ND2 3.18Å; S2007-N2010 PolarHBondContact O-N 3.27Å; S2007-N2010 VanDerWaalsContact O-N 3.16Å; L2008-N2010 VanDerWaalsContact C-N 3.33Å; L2008-N2010 PolarHBondContact O-N 3.12Å; N2010-V2012 VanDerWaalsContact C-N 3.31Å; N2010-V2012 PolarHBondContact O-N 2.96Å; N2010-L2013 WeakPolarHBondContact O-CB 3.32Å; N2010-L2013 PolarHBondContact O-N 3.05Å; N2010-L2013 VanDerWaalsContact O-N 3.17Å; N2010-E2014 WeakPolarHBondContact O-CB 3.25Å; N2010-E2014 WeakPolarHBondContact O-CG 3.36Å; N2010-E2014 PolarHBondContact O-N 3.03Å |
| 2011 | D | 85 | Confident | 82.2 | Confident | 72.2 Ų | 72.2 | 53 Ų | 53 | 39% | 0.386 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 177.6 | -68.2 | -18.7 | 0 | 0 | 0 | 111.5 | I1818 S2007 L2008 E2014 A2015 | I1818-D2011 HydrophobicContact CG2-CB 3.54Å; S2007-D2011 WeakPolarHBondContact O-CB 3.38Å; S2007-D2011 PolarHBondContact O-N 3.12Å; L2008-D2011 PolarHBondContact O-N 3.26Å; D2011-E2014 PolarHBondContact O-N 3.2Å; D2011-A2015 WeakPolarHBondContact O-CB 3.4Å; D2011-A2015 PolarHBondContact O-N 3.13Å |
| 2012 | V | 86 | Confident | 83.1 | Confident | 3.2 Ų | 3.2 | 51.2 Ų | 51.2 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | I1818 V1833 L1984 L1986 M1995 L2008 V2009 N2010 E2014 A2015 I2016 | I1818-V2012 HydrophobicContact CD1-CB 4.08Å; I1818-V2012 HydrophobicContact CD1-CG2 3.36Å; V1833-V2012 HydrophobicContact CG2-CG2 4.37Å; L1984-V2012 HydrophobicContact CD2-CB 4.38Å; L1984-V2012 HydrophobicContact CD2-CG1 4.46Å; L1984-V2012 HydrophobicContact CD2-CG2 3.84Å; L1986-V2012 HydrophobicContact CD1-CG1 4.42Å; L1986-V2012 HydrophobicContact CD2-CG1 4.27Å; M1995-V2012 HydrophobicContact SD-CG1 4.41Å; L2008-V2012 HydrophobicContact CD1-CG2 3.99Å; L2008-V2012 HydrophobicContact CG-CG2 4.47Å; L2008-V2012 WeakPolarHBondContact O-CB 3.4Å; L2008-V2012 VanDerWaalsContact O-CG2 3.25Å; L2008-V2012 WeakPolarHBondContact O-CG2 3.43Å; L2008-V2012 PolarHBondContact O-N 3.12Å; V2009-V2012 PolarHBondContact O-N 3.05Å; N2010-V2012 VanDerWaalsContact C-N 3.31Å; N2010-V2012 PolarHBondContact O-N 2.96Å; V2012-E2014 VanDerWaalsContact C-N 3.35Å; V2012-E2014 PolarHBondContact O-N 3.07Å; V2012-A2015 PolarHBondContact O-N 2.96Å; V2012-I2016 HydrophobicContact CG1-CD1 3.89Å; V2012-I2016 HydrophobicContact CG1-CG1 4.49Å; V2012-I2016 WeakPolarHBondContact O-CD1 3.36Å; V2012-I2016 VanDerWaalsContact O-CG1 3.26Å; V2012-I2016 WeakPolarHBondContact O-CG1 3.39Å; V2012-I2016 PolarHBondContact O-N 3.23Å |
| 2013 | L | 86 | Confident | 84 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175.8 | -88.9 | 158.3 | 0 | 0 | 0 | 112 | F1556 I1794 M1995 V2009 N2010 I2016 K2017 | F1556-L2013 HydrophobicContact CE2-CD1 4.46Å; F1556-L2013 HydrophobicContact CZ-CD1 3.94Å; I1794-L2013 HydrophobicContact CD1-CD2 3.37Å; I1794-L2013 VanDerWaalsContact CD1-CD2 3.42Å; I1794-L2013 HydrophobicContact CG1-CD2 4.24Å; M1995-L2013 HydrophobicContact CE-CD1 4.06Å; M1995-L2013 HydrophobicContact CE-CD2 3.74Å; M1995-L2013 HydrophobicContact CE-CG 3.88Å; M1995-L2013 HydrophobicContact SD-CD2 4.12Å; M1995-L2013 HydrophobicContact SD-CG 4.31Å; V2009-L2013 HydrophobicContact CG1-CD1 4.28Å; V2009-L2013 WeakPolarHBondContact O-CB 3.49Å; V2009-L2013 VanDerWaalsContact O-CG 3.31Å; V2009-L2013 WeakPolarHBondContact O-CG 3.31Å; V2009-L2013 PolarHBondContact O-N 3.28Å; N2010-L2013 WeakPolarHBondContact O-CB 3.32Å; N2010-L2013 PolarHBondContact O-N 3.05Å; N2010-L2013 VanDerWaalsContact O-N 3.17Å; L2013-I2016 PolarHBondContact O-N 2.84Å; L2013-K2017 HydrophobicContact CG-CD 4.48Å; L2013-K2017 WeakPolarHBondContact O-CB 3.33Å; L2013-K2017 VanDerWaalsContact O-CG 3.31Å; L2013-K2017 WeakPolarHBondContact O-CG 3.32Å; L2013-K2017 PolarHBondContact O-N 3.16Å |
| 2014 | E | 86.2 | Confident | 84.9 | Confident | 128 Ų | 128 | 46.1 Ų | 46.1 | 60% | 0.598 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.3 | -42.3 | 175.4 | -74.5 | -166.4 | 173.2 | 0 | 0 | 111.7 | N2010 D2011 V2012 I2016 K2017 A2018 | N2010-E2014 WeakPolarHBondContact O-CB 3.25Å; N2010-E2014 WeakPolarHBondContact O-CG 3.36Å; N2010-E2014 PolarHBondContact O-N 3.03Å; D2011-E2014 PolarHBondContact O-N 3.2Å; V2012-E2014 VanDerWaalsContact C-N 3.35Å; V2012-E2014 PolarHBondContact O-N 3.07Å; E2014-I2016 PolarHBondContact O-N 3.09Å; E2014-K2017 PolarHBondContact O-N 3.19Å; E2014-A2018 VanDerWaalsContact O-CB 3.26Å; E2014-A2018 WeakPolarHBondContact O-CB 3.38Å; E2014-A2018 PolarHBondContact O-N 2.96Å |
| 2015 | A | 86.2 | Confident | 85.9 | Confident | 19.8 Ų | 19.8 | 42.6 Ų | 42.6 | 16% | 0.164 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1816 I1818 D2011 V2012 A2018 T2019 | V1816-A2015 HydrophobicContact CG1-CB 3.91Å; I1818-A2015 HydrophobicContact CD1-CB 3.9Å; I1818-A2015 HydrophobicContact CG1-CB 4.33Å; D2011-A2015 WeakPolarHBondContact O-CB 3.4Å; D2011-A2015 PolarHBondContact O-N 3.13Å; V2012-A2015 PolarHBondContact O-N 2.96Å; A2015-A2018 PolarHBondContact O-N 3.22Å; A2015-T2019 VanDerWaalsContact O-CB 3.31Å; A2015-T2019 WeakPolarHBondContact O-CB 3.4Å; A2015-T2019 PolarHBondContact O-N 3.07Å; A2015-T2019 PolarHBondContact O-OG1 2.96Å |
| 2016 | I | 86.7 | Confident | 86.3 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -51.2 | 175.2 | -69.5 | 162.7 | 0 | 0 | 0 | 109.8 | I1794 F1809 L1813 L1986 L1993 V2012 L2013 E2014 A2018 T2019 V2020 | I1794-I2016 HydrophobicContact CD1-CD1 4.11Å; I1794-I2016 HydrophobicContact CD1-CG2 4.38Å; I1794-I2016 HydrophobicContact CG2-CG2 4.38Å; F1809-I2016 HydrophobicContact CE2-CG2 4.48Å; F1809-I2016 HydrophobicContact CZ-CG2 4.25Å; L1813-I2016 HydrophobicContact CD1-CG1 4Å; L1986-I2016 HydrophobicContact CD1-CD1 4.16Å; L1986-I2016 HydrophobicContact CD2-CD1 4.3Å; L1993-I2016 HydrophobicContact CD1-CD1 4.26Å; L1993-I2016 HydrophobicContact CD1-CG1 4.49Å; L1993-I2016 HydrophobicContact CD1-CG2 4.44Å; L1993-I2016 HydrophobicContact CD2-CD1 4.04Å; V2012-I2016 HydrophobicContact CG1-CD1 3.89Å; V2012-I2016 HydrophobicContact CG1-CG1 4.49Å; V2012-I2016 WeakPolarHBondContact O-CD1 3.36Å; V2012-I2016 VanDerWaalsContact O-CG1 3.26Å; V2012-I2016 WeakPolarHBondContact O-CG1 3.39Å; V2012-I2016 PolarHBondContact O-N 3.23Å; L2013-I2016 PolarHBondContact O-N 2.84Å; E2014-I2016 PolarHBondContact O-N 3.09Å; I2016-A2018 VanDerWaalsContact C-N 3.32Å; I2016-A2018 PolarHBondContact O-N 3.31Å; I2016-T2019 PolarHBondContact O-N 3.3Å; I2016-T2019 VanDerWaalsContact O-N 3.13Å; I2016-V2020 HydrophobicContact CG2-CG2 4.35Å; I2016-V2020 WeakPolarHBondContact O-CG2 3.34Å; I2016-V2020 PolarHBondContact O-N 3.14Å |
| 2017 | K | 86.2 | Confident | 86.8 | Confident | 122.8 Ų | 122.8 | 43.3 Ų | 43.3 | 53% | 0.534 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 178.3 | -73.1 | 173 | -177.7 | 173.4 | 0 | 111.9 | L2013 E2014 T2019 V2020 K2021 | L2013-K2017 HydrophobicContact CG-CD 4.48Å; L2013-K2017 WeakPolarHBondContact O-CB 3.33Å; L2013-K2017 VanDerWaalsContact O-CG 3.31Å; L2013-K2017 WeakPolarHBondContact O-CG 3.32Å; L2013-K2017 PolarHBondContact O-N 3.16Å; E2014-K2017 PolarHBondContact O-N 3.19Å; K2017-T2019 VanDerWaalsContact C-N 3.33Å; K2017-T2019 PolarHBondContact O-N 3.01Å; K2017-V2020 PolarHBondContact O-N 3.07Å; K2017-K2021 VanDerWaalsContact O-CB 3.3Å; K2017-K2021 WeakPolarHBondContact O-CB 3.29Å; K2017-K2021 PolarHBondContact O-N 3.05Å |
| 2018 | A | 87 | Confident | 87.3 | Confident | 57.6 Ų | 57.6 | 39.8 Ų | 39.8 | 48% | 0.476 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E2014 A2015 I2016 K2021 M2022 | E2014-A2018 VanDerWaalsContact O-CB 3.26Å; E2014-A2018 WeakPolarHBondContact O-CB 3.38Å; E2014-A2018 PolarHBondContact O-N 2.96Å; A2015-A2018 PolarHBondContact O-N 3.22Å; I2016-A2018 VanDerWaalsContact C-N 3.32Å; I2016-A2018 PolarHBondContact O-N 3.31Å; A2018-K2021 PolarHBondContact O-N 3.2Å; A2018-M2022 VanDerWaalsContact O-CB 3.27Å; A2018-M2022 WeakPolarHBondContact O-CB 3.34Å; A2018-M2022 PolarHBondContact O-N 3.25Å |
| 2019 | T | 87.8 | Confident | 87.8 | Confident | 10.8 Ų | 10.8 | 39.5 Ų | 39.5 | 7% | 0.066 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -41.6 | 178.9 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | F1809 R1812 L1813 A2015 I2016 K2017 M2022 T2023 | F1809-T2019 HydrophobicContact CD2-CG2 3.64Å; F1809-T2019 HydrophobicContact CE2-CG2 3.86Å; R1812-T2019 HydrophobicContact CB-CG2 3.69Å; L1813-T2019 HydrophobicContact CB-CG2 4.28Å; A2015-T2019 VanDerWaalsContact O-CB 3.31Å; A2015-T2019 WeakPolarHBondContact O-CB 3.4Å; A2015-T2019 PolarHBondContact O-N 3.07Å; A2015-T2019 PolarHBondContact O-OG1 2.96Å; I2016-T2019 PolarHBondContact O-N 3.3Å; I2016-T2019 VanDerWaalsContact O-N 3.13Å; K2017-T2019 VanDerWaalsContact C-N 3.33Å; K2017-T2019 PolarHBondContact O-N 3.01Å; T2019-M2022 PolarHBondContact O-N 3.08Å; T2019-T2023 WeakPolarHBondContact O-CB 3.32Å; T2019-T2023 PolarHBondContact O-N 3.13Å; T2019-T2023 PolarHBondContact O-OG1 3.03Å |
| 2020 | V | 88.1 | Confident | 88.1 | Confident | 30.8 Ų | 30.8 | 42.4 Ų | 42.4 | 19% | 0.187 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 173 | 173.6 | 0 | 0 | 0 | 0 | 110.2 | L1796 F1798 F1809 I2016 K2017 M2022 T2023 N2024 | L1796-V2020 HydrophobicContact CD2-CG2 3.88Å; F1798-V2020 HydrophobicContact CE1-CG1 4.39Å; F1809-V2020 HydrophobicContact CD2-CG2 3.86Å; F1809-V2020 HydrophobicContact CE2-CG2 3.52Å; F1809-V2020 HydrophobicContact CZ-CG2 4.25Å; I2016-V2020 HydrophobicContact CG2-CG2 4.35Å; I2016-V2020 WeakPolarHBondContact O-CG2 3.34Å; I2016-V2020 PolarHBondContact O-N 3.14Å; K2017-V2020 PolarHBondContact O-N 3.07Å; V2020-M2022 VanDerWaalsContact C-N 3.33Å; V2020-M2022 PolarHBondContact O-N 3.04Å; V2020-T2023 PolarHBondContact O-N 3.11Å; V2020-N2024 PolarHBondContact O-N 2.89Å |
| 2021 | K | 89.3 | Confident | 88.2 | Confident | 71.2 Ų | 71.2 | 40.2 Ų | 40.2 | 31% | 0.31 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.7 | -47.2 | 176.9 | -176.2 | 178 | -179.8 | 168.4 | 0 | 111.7 | K2017 A2018 T2023 N2024 Q2025 Y2084 F2085 | K2017-K2021 VanDerWaalsContact O-CB 3.3Å; K2017-K2021 WeakPolarHBondContact O-CB 3.29Å; K2017-K2021 PolarHBondContact O-N 3.05Å; A2018-K2021 PolarHBondContact O-N 3.2Å; K2021-T2023 VanDerWaalsContact C-N 3.32Å; K2021-T2023 PolarHBondContact O-N 3.17Å; K2021-N2024 PolarHBondContact O-N 2.9Å; K2021-Q2025 WeakPolarHBondContact O-CB 3.44Å; K2021-Q2025 VanDerWaalsContact O-CG 3.26Å; K2021-Q2025 WeakPolarHBondContact O-CG 3.34Å; K2021-Q2025 PolarHBondContact O-N 3.12Å; K2021-Y2084 WeakPolarHBondContact CE-O 3.33Å; K2021-Y2084 PolarHBondContact NZ-O 2.93Å; K2021-Y2084 VanDerWaalsContact NZ-O 3.07Å; K2021-F2085 HydrophobicContact CB-CE1 4.48Å; K2021-F2085 HydrophobicContact CG-CD1 3.89Å; K2021-F2085 HydrophobicContact CG-CE1 4.24Å |
| 2022 | M | 88.5 | Confident | 88.5 | Confident | 61 Ų | 61 | 36.8 Ų | 36.8 | 30% | 0.3 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.8 | -36.2 | 179.9 | -169.7 | 175.5 | 61.9 | 0 | 0 | 112.3 | R1812 A2018 T2019 V2020 Q2025 K2026 I2202 | R1812-M2022 HydrophobicContact CB-CE 4.34Å; R1812-M2022 HydrophobicContact CG-CE 4.28Å; R1812-M2022 VanDerWaalsContact NH1-CE 3.3Å; R1812-M2022 PolarHBondContact NH1-O 3.17Å; R1812-M2022 PolarHBondContact NH1-SD 3.19Å; R1812-M2022 VanDerWaalsContact NH1-SD 3.4Å; A2018-M2022 VanDerWaalsContact O-CB 3.27Å; A2018-M2022 WeakPolarHBondContact O-CB 3.34Å; A2018-M2022 PolarHBondContact O-N 3.25Å; T2019-M2022 PolarHBondContact O-N 3.08Å; V2020-M2022 VanDerWaalsContact C-N 3.33Å; V2020-M2022 PolarHBondContact O-N 3.04Å; M2022-Q2025 WeakPolarHBondContact O-CB 3.41Å; M2022-Q2025 PolarHBondContact O-N 3.18Å; M2022-K2026 PolarHBondContact O-N 3.2Å; M2022-K2026 VanDerWaalsContact O-N 3.07Å; M2022-I2202 HydrophobicContact CG-CD1 4.47Å; M2022-I2202 HydrophobicContact CG-CG2 3.53Å; M2022-I2202 VanDerWaalsContact CG-CG2 3.44Å; M2022-I2202 WeakPolarHBondContact O-CD1 3.38Å; M2022-I2202 HydrophobicContact SD-CG2 3.8Å |
| 2023 | T | 89.1 | Confident | 88.7 | Confident | 7.4 Ų | 7.4 | 40.8 Ų | 40.8 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -47.4 | 175.8 | -54 | 0 | 0 | 0 | 0 | 110.7 | F1798 S1805 D1808 F1809 T2019 V2020 K2021 Q2025 K2026 M2027 | F1798-T2023 HydrophobicContact CD1-CG2 4.47Å; F1798-T2023 HydrophobicContact CE1-CG2 4.21Å; S1805-T2023 VanDerWaalsContact O-CG2 3.25Å; S1805-T2023 WeakPolarHBondContact O-CG2 3.39Å; D1808-T2023 HydrophobicContact CB-CG2 4.19Å; F1809-T2023 HydrophobicContact CB-CG2 4.18Å; T2019-T2023 WeakPolarHBondContact O-CB 3.32Å; T2019-T2023 PolarHBondContact O-N 3.13Å; T2019-T2023 PolarHBondContact O-OG1 3.03Å; V2020-T2023 PolarHBondContact O-N 3.11Å; K2021-T2023 VanDerWaalsContact C-N 3.32Å; K2021-T2023 PolarHBondContact O-N 3.17Å; T2023-Q2025 VanDerWaalsContact C-N 3.31Å; T2023-Q2025 PolarHBondContact O-N 3.17Å; T2023-K2026 WeakPolarHBondContact O-CB 3.34Å; T2023-K2026 PolarHBondContact O-N 3.03Å; T2023-K2026 VanDerWaalsContact O-N 3.09Å; T2023-M2027 WeakPolarHBondContact O-CG 3.47Å; T2023-M2027 PolarHBondContact O-N 3.13Å |
| 2024 | N | 89.5 | Confident | 88.8 | Confident | 11.2 Ų | 11.2 | 46.5 Ų | 46.5 | 6% | 0.06 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -40.2 | 175.1 | -76.1 | -22.7 | 0 | 0 | 0 | 112.3 | V1797 F1798 V1799 V2020 K2021 K2026 M2027 L2028 F2085 | V1797-N2024 PolarHBondContact O-ND2 2.9Å; F1798-N2024 VanDerWaalsContact CA-OD1 3.29Å; F1798-N2024 WeakPolarHBondContact CA-OD1 3.39Å; V1799-N2024 HydrophobicContact CG2-CB 4.26Å; V1799-N2024 PolarHBondContact N-OD1 3.36Å; V2020-N2024 PolarHBondContact O-N 2.89Å; K2021-N2024 PolarHBondContact O-N 2.9Å; N2024-K2026 VanDerWaalsContact C-N 3.31Å; N2024-K2026 PolarHBondContact O-N 3.22Å; N2024-M2027 PolarHBondContact O-N 3.03Å; N2024-L2028 WeakPolarHBondContact O-CB 3.35Å; N2024-L2028 VanDerWaalsContact O-CG 3.27Å; N2024-L2028 WeakPolarHBondContact O-CG 3.36Å; N2024-L2028 PolarHBondContact O-N 3.27Å; N2024-F2085 HydrophobicContact CB-CD1 3.68Å; N2024-F2085 HydrophobicContact CB-CE1 3.51Å; N2024-F2085 VanDerWaalsContact CB-CE1 3.45Å; N2024-F2085 HydrophobicContact CB-CE2 4.49Å; N2024-F2085 HydrophobicContact CB-CG 4.33Å; N2024-F2085 HydrophobicContact CB-CZ 4.06Å; N2024-F2085 WeakPolarHBondContact ND2-CE1 3.2Å; N2024-F2085 WeakPolarHBondContact ND2-CZ 3.25Å |
| 2025 | Q | 91.8 | Very high | 88.8 | Confident | 14.8 Ų | 14.8 | 43.1 Ų | 43.1 | 7% | 0.069 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.5 | -44.8 | 172.5 | -76.8 | 176.3 | -34.7 | 0 | 0 | 111.9 | K2021 M2022 T2023 M2027 L2028 L2029 F2085 A2086 I2202 | K2021-Q2025 WeakPolarHBondContact O-CB 3.44Å; K2021-Q2025 VanDerWaalsContact O-CG 3.26Å; K2021-Q2025 WeakPolarHBondContact O-CG 3.34Å; K2021-Q2025 PolarHBondContact O-N 3.12Å; M2022-Q2025 WeakPolarHBondContact O-CB 3.41Å; M2022-Q2025 PolarHBondContact O-N 3.18Å; T2023-Q2025 VanDerWaalsContact C-N 3.31Å; T2023-Q2025 PolarHBondContact O-N 3.17Å; Q2025-M2027 VanDerWaalsContact C-N 3.35Å; Q2025-M2027 PolarHBondContact O-N 2.97Å; Q2025-L2028 PolarHBondContact O-N 3.07Å; Q2025-L2029 WeakPolarHBondContact O-CB 3.32Å; Q2025-L2029 VanDerWaalsContact O-CG 3.25Å; Q2025-L2029 WeakPolarHBondContact O-CG 3.38Å; Q2025-L2029 PolarHBondContact O-N 3.31Å; Q2025-F2085 HydrophobicContact CG-CB 4.02Å; Q2025-F2085 HydrophobicContact CG-CD1 4.46Å; Q2025-F2085 WeakPolarHBondContact CG-O 3.42Å; Q2025-F2085 PolarHBondContact NE2-O 3.08Å; Q2025-A2086 PolarHBondContact NE2-O 3.22Å; Q2025-I2202 HydrophobicContact CB-CD1 3.67Å; Q2025-I2202 HydrophobicContact CB-CG1 4.01Å |
| 2026 | K | 90.3 | Very high | 88.8 | Confident | 58.8 Ų | 58.8 | 45.4 Ų | 45.4 | 26% | 0.256 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.6 | -44.4 | -179 | -170.1 | -168.4 | -169.9 | 174.9 | 0 | 110.9 | D1808 R1812 M2022 T2023 N2024 L2029 Q2030 I2202 | D1808-K2026 IonicContact OD1-NZ 3.53Å; D1808-K2026 PolarHBondContact OD1-NZ 3.15Å; D1808-K2026 WeakPolarHBondContact OD2-CD 3.33Å; D1808-K2026 IonicContact OD2-NZ 3.32Å; D1808-K2026 PolarHBondContact OD2-NZ 2.92Å; D1808-K2026 VanDerWaalsContact OD2-NZ 3.13Å; R1812-K2026 VanDerWaalsContact NH2-CD 3.33Å; M2022-K2026 PolarHBondContact O-N 3.2Å; M2022-K2026 VanDerWaalsContact O-N 3.07Å; T2023-K2026 WeakPolarHBondContact O-CB 3.34Å; T2023-K2026 PolarHBondContact O-N 3.03Å; T2023-K2026 VanDerWaalsContact O-N 3.09Å; N2024-K2026 VanDerWaalsContact C-N 3.31Å; N2024-K2026 PolarHBondContact O-N 3.22Å; K2026-L2029 PolarHBondContact O-N 3.31Å; K2026-Q2030 WeakPolarHBondContact O-CB 3.45Å; K2026-Q2030 VanDerWaalsContact O-CG 3.31Å; K2026-Q2030 WeakPolarHBondContact O-CG 3.4Å; K2026-Q2030 PolarHBondContact O-N 3.14Å; K2026-I2202 VanDerWaalsContact CA-CD1 3.47Å; K2026-I2202 HydrophobicContact CB-CD1 3.7Å; K2026-I2202 HydrophobicContact CG-CD1 4.4Å; K2026-I2202 VanDerWaalsContact N-CD1 3.3Å |
| 2027 | M | 87.3 | Confident | 88.6 | Confident | 29.4 Ų | 29.4 | 48.5 Ų | 48.5 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.9 | -44.6 | 177.5 | -63.2 | -75.5 | 99.3 | 0 | 0 | 111.5 | L1800 S1805 D1808 T2023 N2024 Q2025 L2029 Q2030 H2031 | L1800-M2027 HydrophobicContact CB-CB 4.28Å; L1800-M2027 HydrophobicContact CD1-CB 4.42Å; S1805-M2027 VanDerWaalsContact OG-CG 3.28Å; S1805-M2027 WeakPolarHBondContact OG-CG 3.38Å; D1808-M2027 HydrophobicContact CB-CE 4.49Å; T2023-M2027 WeakPolarHBondContact O-CG 3.47Å; T2023-M2027 PolarHBondContact O-N 3.13Å; N2024-M2027 PolarHBondContact O-N 3.03Å; Q2025-M2027 VanDerWaalsContact C-N 3.35Å; Q2025-M2027 PolarHBondContact O-N 2.97Å; M2027-L2029 VanDerWaalsContact C-N 3.32Å; M2027-L2029 PolarHBondContact O-N 3.14Å; M2027-Q2030 PolarHBondContact O-N 2.93Å; M2027-H2031 WeakPolarHBondContact O-CB 3.34Å; M2027-H2031 PolarHBondContact O-N 2.99Å |
| 2028 | L | 90.8 | Very high | 88.6 | Confident | 4.2 Ų | 4.2 | 42.9 Ų | 42.9 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 176.7 | -72.6 | 169.9 | 0 | 0 | 0 | 112.4 | V1799 L1800 N2024 Q2025 L2032 H2039 L2041 L2042 Y2073 F2085 | V1799-L2028 HydrophobicContact CG1-CD2 4.22Å; L1800-L2028 HydrophobicContact CD1-CD2 4.04Å; N2024-L2028 WeakPolarHBondContact O-CB 3.35Å; N2024-L2028 VanDerWaalsContact O-CG 3.27Å; N2024-L2028 WeakPolarHBondContact O-CG 3.36Å; N2024-L2028 PolarHBondContact O-N 3.27Å; Q2025-L2028 PolarHBondContact O-N 3.07Å; L2028-L2032 VanDerWaalsContact O-CB 3.25Å; L2028-L2032 WeakPolarHBondContact O-CB 3.37Å; L2028-L2032 PolarHBondContact O-N 2.97Å; L2028-H2039 HydrophobicContact CD2-CB 4Å; L2028-L2041 HydrophobicContact CD1-CB 4.35Å; L2028-L2042 HydrophobicContact CB-CB 4.48Å; L2028-L2042 HydrophobicContact CB-CD1 4.38Å; L2028-L2042 HydrophobicContact CB-CD2 4.46Å; L2028-L2042 HydrophobicContact CD1-CB 4.39Å; L2028-Y2073 HydrophobicContact CD2-CD1 4.37Å; L2028-Y2073 HydrophobicContact CD2-CE1 3.55Å; L2028-Y2073 HydrophobicContact CG-CE1 4.5Å; L2028-F2085 HydrophobicContact CD1-CB 3.71Å; L2028-F2085 HydrophobicContact CD1-CD2 4.09Å; L2028-F2085 HydrophobicContact CD1-CG 4.04Å |
| 2029 | L | 92.6 | Very high | 88.4 | Confident | 5.2 Ų | 5.2 | 41 Ų | 41 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68 | -42.6 | 174.6 | -72.6 | 170.3 | 0 | 0 | 0 | 112.1 | Q2025 K2026 M2027 L2032 Y2033 L2042 I2142 Y2144 I2202 | Q2025-L2029 WeakPolarHBondContact O-CB 3.32Å; Q2025-L2029 VanDerWaalsContact O-CG 3.25Å; Q2025-L2029 WeakPolarHBondContact O-CG 3.38Å; Q2025-L2029 PolarHBondContact O-N 3.31Å; K2026-L2029 PolarHBondContact O-N 3.31Å; M2027-L2029 VanDerWaalsContact C-N 3.32Å; M2027-L2029 PolarHBondContact O-N 3.14Å; L2029-L2032 HydrophobicContact CD2-CD2 4.46Å; L2029-L2032 WeakPolarHBondContact O-CB 3.35Å; L2029-L2032 PolarHBondContact O-N 3.08Å; L2029-Y2033 PolarHBondContact O-N 3.19Å; L2029-L2042 HydrophobicContact CD2-CD2 4.18Å; L2029-I2142 HydrophobicContact CB-CB 4.17Å; L2029-I2142 HydrophobicContact CB-CG2 4.01Å; L2029-I2142 HydrophobicContact CD2-CG2 4.45Å; L2029-Y2144 HydrophobicContact CD2-CD1 3.65Å; L2029-Y2144 HydrophobicContact CD2-CE1 4.26Å; L2029-I2202 HydrophobicContact CD1-CD1 3.79Å; L2029-I2202 HydrophobicContact CD1-CG1 3.89Å |
| 2030 | Q | 89.9 | Confident | 88.2 | Confident | 70.6 Ų | 70.6 | 43.1 Ų | 43.1 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 175.6 | -75 | 177.4 | -24.5 | 0 | 0 | 111.2 | K2026 M2027 Y2033 Q2034 I2142 | K2026-Q2030 WeakPolarHBondContact O-CB 3.45Å; K2026-Q2030 VanDerWaalsContact O-CG 3.31Å; K2026-Q2030 WeakPolarHBondContact O-CG 3.4Å; K2026-Q2030 PolarHBondContact O-N 3.14Å; M2027-Q2030 PolarHBondContact O-N 2.93Å; Q2030-Y2033 PolarHBondContact O-N 3.2Å; Q2030-Q2034 WeakPolarHBondContact O-CB 3.27Å; Q2030-Q2034 VanDerWaalsContact O-CG 3.26Å; Q2030-Q2034 WeakPolarHBondContact O-CG 3.35Å; Q2030-Q2034 PolarHBondContact O-N 3.02Å; Q2030-I2142 HydrophobicContact CB-CD1 4.33Å; Q2030-I2142 HydrophobicContact CG-CD1 3.79Å |
| 2031 | H | 88.1 | Confident | 88 | Confident | 36.6 Ų | 36.6 | 41.6 Ų | 41.6 | 17% | 0.169 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -47.1 | 174.8 | -174.5 | -83.3 | 0 | 0 | 0 | 111.4 | L1800 M2027 Y2033 Q2034 T2035 H2039 | L1800-H2031 HydrophobicContact CD1-CB 3.72Å; M2027-H2031 WeakPolarHBondContact O-CB 3.34Å; M2027-H2031 PolarHBondContact O-N 2.99Å; H2031-Y2033 VanDerWaalsContact C-N 3.3Å; H2031-Y2033 PolarHBondContact O-N 3.3Å; H2031-Q2034 PolarHBondContact O-N 3.03Å; H2031-Q2034 VanDerWaalsContact O-N 3.12Å; H2031-T2035 PolarHBondContact CD2-OG1 3.17Å; H2031-T2035 VanDerWaalsContact CE1-CG2 3.45Å; H2031-T2035 WeakPolarHBondContact CE1-CG2 3.32Å; H2031-T2035 PolarHBondContact CE1-OG1 3.09Å; H2031-T2035 PolarHBondContact ND1-OG1 3.07Å; H2031-T2035 WeakPolarHBondContact NE2-CG2 3.34Å; H2031-T2035 PolarHBondContact NE2-OG1 2.78Å; H2031-T2035 WeakPolarHBondContact O-CB 3.19Å; H2031-T2035 PolarHBondContact O-N 3.03Å; H2031-T2035 PolarHBondContact O-OG1 3.16Å; H2031-H2039 AromaticContact CE1-CE1 3.79Å; H2031-H2039 AromaticContact CE1-NE2 3.09Å; H2031-H2039 PolarHBondContact CE1-NE2 3.48Å; H2031-H2039 AromaticContact CG-NE2 3.85Å; H2031-H2039 AromaticContact ND1-CD2 3.58Å; H2031-H2039 AromaticContact ND1-NE2 2.95Å; H2031-H2039 PolarHBondContact ND1-NE2 2.92Å |
| 2032 | L | 90.7 | Very high | 87.9 | Confident | 0.8 Ų | 0.8 | 38.3 Ų | 38.3 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.6 | -44 | 175.8 | 171.2 | 68.2 | 0 | 0 | 0 | 112.4 | L2028 L2029 R2036 F2037 C2038 L2042 V2126 V2134 Y2144 | L2028-L2032 VanDerWaalsContact O-CB 3.25Å; L2028-L2032 WeakPolarHBondContact O-CB 3.37Å; L2028-L2032 PolarHBondContact O-N 2.97Å; L2029-L2032 HydrophobicContact CD2-CD2 4.46Å; L2029-L2032 WeakPolarHBondContact O-CB 3.35Å; L2029-L2032 PolarHBondContact O-N 3.08Å; L2032-R2036 WeakPolarHBondContact O-CA 3.38Å; L2032-R2036 PolarHBondContact O-N 3.27Å; L2032-F2037 WeakPolarHBondContact CD1-O 3.33Å; L2032-C2038 HydrophobicContact CD1-CB 3.59Å; L2032-L2042 HydrophobicContact CB-CD2 4.5Å; L2032-L2042 HydrophobicContact CD2-CD2 3.96Å; L2032-V2126 HydrophobicContact CD1-CG1 3.97Å; L2032-V2126 HydrophobicContact CD1-CG2 3.79Å; L2032-V2134 HydrophobicContact CD2-CB 4.14Å; L2032-V2134 HydrophobicContact CD2-CG2 3.85Å; L2032-V2134 HydrophobicContact CG-CB 4.06Å; L2032-V2134 HydrophobicContact CG-CG2 3.83Å; L2032-Y2144 HydrophobicContact CD2-CD1 4.43Å; L2032-Y2144 HydrophobicContact CD2-CG 4.43Å |
| 2033 | Y | 90.4 | Very high | 87.6 | Confident | 87.6 Ų | 87.6 | 35.5 Ų | 35.5 | 34% | 0.344 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.1 | -40.3 | -179.9 | -178.3 | -99.8 | 0 | 0 | 0 | 112.3 | L2029 Q2030 H2031 V2134 K2136 I2142 | L2029-Y2033 PolarHBondContact O-N 3.19Å; Q2030-Y2033 PolarHBondContact O-N 3.2Å; H2031-Y2033 VanDerWaalsContact C-N 3.3Å; H2031-Y2033 PolarHBondContact O-N 3.3Å; Y2033-V2134 HydrophobicContact CD2-CG1 4.38Å; Y2033-V2134 HydrophobicContact CD2-CG2 4Å; Y2033-K2136 HydrophobicContact CD1-CD 4.39Å; Y2033-K2136 HydrophobicContact CD2-CB 3.99Å; Y2033-K2136 HydrophobicContact CE1-CD 3.87Å; Y2033-K2136 HydrophobicContact CE2-CB 3.49Å; Y2033-K2136 VanDerWaalsContact CE2-CB 3.48Å; Y2033-K2136 HydrophobicContact CE2-CD 4.25Å; Y2033-I2142 HydrophobicContact CG-CD1 4.32Å |
| 2034 | Q | 88.4 | Confident | 86.8 | Confident | 143.2 Ų | 143.2 | 40.6 Ų | 40.6 | 67% | 0.669 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -71.6 | -47.1 | -178.6 | -71.4 | 170.3 | -1.2 | 0 | 0 | 112.4 | Q2030 H2031 | Q2030-Q2034 WeakPolarHBondContact O-CB 3.27Å; Q2030-Q2034 VanDerWaalsContact O-CG 3.26Å; Q2030-Q2034 WeakPolarHBondContact O-CG 3.35Å; Q2030-Q2034 PolarHBondContact O-N 3.02Å; H2031-Q2034 PolarHBondContact O-N 3.03Å; H2031-Q2034 VanDerWaalsContact O-N 3.12Å |
| 2035 | T | 85.9 | Confident | 85.5 | Confident | 57.2 Ų | 57.2 | 43.4 Ų | 43.4 | 35% | 0.351 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -92.8 | -15.4 | -174.7 | 63.3 | 0 | 0 | 0 | 0 | 113.4 | H2031 F2037 | H2031-T2035 PolarHBondContact CD2-OG1 3.17Å; H2031-T2035 VanDerWaalsContact CE1-CG2 3.45Å; H2031-T2035 WeakPolarHBondContact CE1-CG2 3.32Å; H2031-T2035 PolarHBondContact CE1-OG1 3.09Å; H2031-T2035 PolarHBondContact ND1-OG1 3.07Å; H2031-T2035 WeakPolarHBondContact NE2-CG2 3.34Å; H2031-T2035 PolarHBondContact NE2-OG1 2.78Å; H2031-T2035 WeakPolarHBondContact O-CB 3.19Å; H2031-T2035 PolarHBondContact O-N 3.03Å; H2031-T2035 PolarHBondContact O-OG1 3.16Å; T2035-F2037 PolarHBondContact O-N 3.17Å; T2035-F2037 VanDerWaalsContact O-N 3.17Å; T2035-F2037 WeakPolarHBondContact OG1-CB 3.36Å; T2035-F2037 PolarHBondContact OG1-N 2.96Å |
| 2036 | R | 86.7 | Confident | 83.6 | Confident | 67.4 Ų | 67.4 | 48.1 Ų | 48.1 | 25% | 0.254 | 23% | 0.229 | S | C | . | . | trans | 53.7 | 28.7 | -167.8 | -59.1 | -61.2 | -167.6 | 99.3 | 0.4 | 112.5 | L2032 K2123 F2124 A2125 V2126 F2127 V2134 | L2032-R2036 WeakPolarHBondContact O-CA 3.38Å; L2032-R2036 PolarHBondContact O-N 3.27Å; R2036-K2123 PolarHBondContact NH1-O 3.14Å; R2036-K2123 VanDerWaalsContact NH1-O 3.12Å; R2036-K2123 PolarHBondContact NH2-O 2.97Å; R2036-F2124 VanDerWaalsContact NH1-C 3.3Å; R2036-A2125 PolarHBondContact NH1-O 3.12Å; R2036-A2125 VanDerWaalsContact NH1-O 3.11Å; R2036-V2126 CarbonylContact O-C 3.52Å; R2036-V2126 WeakPolarHBondContact O-CA 3.25Å; R2036-V2126 WeakPolarHBondContact O-CG1 3.45Å; R2036-F2127 HydrophobicContact CB-CD2 3.83Å; R2036-F2127 HydrophobicContact CB-CE2 3.72Å; R2036-F2127 HydrophobicContact CB-CZ 4.46Å; R2036-F2127 HydrophobicContact CG-CE2 4.49Å; R2036-F2127 PolarHBondContact O-N 3.25Å; R2036-V2134 VanDerWaalsContact CD-CG1 3.4Å | ||
| 2037 | F | 82.9 | Confident | 81.5 | Confident | 69.8 Ų | 69.8 | 50.8 Ų | 50.8 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | trans | -116.9 | 123.6 | 177.1 | -166.8 | -88.9 | 0 | 0 | 0 | 110 | L2032 T2035 N2128 | L2032-F2037 WeakPolarHBondContact CD1-O 3.33Å; T2035-F2037 PolarHBondContact O-N 3.17Å; T2035-F2037 VanDerWaalsContact O-N 3.17Å; T2035-F2037 WeakPolarHBondContact OG1-CB 3.36Å; T2035-F2037 PolarHBondContact OG1-N 2.96Å; F2037-N2128 HydrophobicContact CD2-CB 3.87Å; F2037-N2128 VanDerWaalsContact CE1-ND2 3.34Å; F2037-N2128 WeakPolarHBondContact CE1-ND2 3.28Å; F2037-N2128 HydrophobicContact CE2-CB 3.57Å; F2037-N2128 HydrophobicContact CZ-CB 4.09Å; F2037-N2128 VanDerWaalsContact CZ-ND2 3.33Å; F2037-N2128 WeakPolarHBondContact CZ-ND2 3.25Å | ||
| 2038 | C | 84.8 | Confident | 79.3 | Confident | 4.8 Ų | 4.8 | 52.8 Ų | 52.8 | 3% | 0.032 | 27% | 0.274 | C | S | . | . | trans | -96.4 | 114.3 | -176.8 | -167.3 | 0 | 0 | 0 | 0 | 111.7 | L2032 V2043 V2126 N2128 | L2032-C2038 HydrophobicContact CD1-CB 3.59Å; C2038-V2043 VanDerWaalsContact SG-CB 3.57Å; C2038-V2043 WeakPolarHBondContact SG-CB 3.2Å; C2038-V2043 WeakPolarHBondContact SG-CG2 3.37Å; C2038-V2126 HydrophobicContact CB-CG1 3.59Å; C2038-N2128 PolarHBondContact N-ND2 2.91Å; C2038-N2128 PolarHBondContact N-OD1 3.01Å; C2038-N2128 PolarHBondContact O-ND2 3.1Å | ||
| 2039 | H | 83.2 | Confident | 76.6 | Confident | 17.2 Ų | 17.2 | 56.3 Ų | 56.3 | 8% | 0.08 | 30% | 0.299 | C | S | . | . | trans | -70.7 | 142.3 | -179.5 | -149.5 | -92.4 | 0 | 0 | 0 | 112.7 | L2028 H2031 L2041 L2042 V2043 Y2073 | L2028-H2039 HydrophobicContact CD2-CB 4Å; H2031-H2039 AromaticContact CE1-CE1 3.79Å; H2031-H2039 AromaticContact CE1-NE2 3.09Å; H2031-H2039 PolarHBondContact CE1-NE2 3.48Å; H2031-H2039 AromaticContact CG-NE2 3.85Å; H2031-H2039 AromaticContact ND1-CD2 3.58Å; H2031-H2039 AromaticContact ND1-NE2 2.95Å; H2031-H2039 PolarHBondContact ND1-NE2 2.92Å; H2039-L2041 VanDerWaalsContact CE1-CD1 3.46Å; H2039-L2041 WeakPolarHBondContact CE1-CD1 3.35Å; H2039-L2041 VanDerWaalsContact CE1-CG 3.41Å; H2039-L2041 WeakPolarHBondContact CE1-CG 3.29Å; H2039-L2041 WeakPolarHBondContact ND1-CB 3.29Å; H2039-L2041 PolarHBondContact ND1-N 2.86Å; H2039-L2041 PolarHBondContact O-N 3.14Å; H2039-L2041 VanDerWaalsContact O-N 3.12Å; H2039-L2042 WeakPolarHBondContact O-CB 3.31Å; H2039-L2042 PolarHBondContact O-N 3.06Å; H2039-V2043 PolarHBondContact O-N 3.29Å; H2039-V2043 VanDerWaalsContact O-N 3.11Å; H2039-Y2073 HydrophobicContact CB-CE2 4.32Å; H2039-Y2073 AromaticContact CD2-CD1 3.71Å; H2039-Y2073 AromaticContact CD2-CE1 3.54Å; H2039-Y2073 AromaticContact CD2-CE2 3.41Å; H2039-Y2073 WeakPolarHBondContact CD2-CE2 3.34Å; H2039-Y2073 AromaticContact CD2-CG 3.74Å; H2039-Y2073 AromaticContact CD2-CZ 3.16Å; H2039-Y2073 PolarHBondContact CD2-OH 3.26Å; H2039-Y2073 AromaticContact CE1-CD1 3.99Å; H2039-Y2073 AromaticContact CE1-CD2 3.53Å; H2039-Y2073 WeakPolarHBondContact CE1-CD2 3.46Å; H2039-Y2073 AromaticContact CE1-CE1 3.49Å; H2039-Y2073 VanDerWaalsContact CE1-CE1 3.49Å; H2039-Y2073 WeakPolarHBondContact CE1-CE1 3.39Å; H2039-Y2073 AromaticContact CE1-CE2 3.37Å; H2039-Y2073 WeakPolarHBondContact CE1-CE2 3.29Å; H2039-Y2073 AromaticContact CE1-CZ 3.2Å; H2039-Y2073 AromaticContact CG-CE2 3.58Å; H2039-Y2073 AromaticContact CG-CZ 3.36Å; H2039-Y2073 AromaticContact ND1-CE2 3.61Å; H2039-Y2073 VanDerWaalsContact ND1-CE2 3.33Å; H2039-Y2073 WeakPolarHBondContact ND1-CE2 3.38Å; H2039-Y2073 AromaticContact ND1-CZ 3.48Å; H2039-Y2073 VanDerWaalsContact NE2-CB 3.32Å; H2039-Y2073 WeakPolarHBondContact NE2-CB 3.3Å; H2039-Y2073 AromaticContact NE2-CD1 3.71Å; H2039-Y2073 AromaticContact NE2-CD2 3.37Å; H2039-Y2073 WeakPolarHBondContact NE2-CD2 3.01Å; H2039-Y2073 AromaticContact NE2-CE1 3.42Å; H2039-Y2073 WeakPolarHBondContact NE2-CE1 3.48Å; H2039-Y2073 AromaticContact NE2-CE2 3.19Å; H2039-Y2073 WeakPolarHBondContact NE2-CE2 3.42Å; H2039-Y2073 AromaticContact NE2-CG 3.65Å; H2039-Y2073 AromaticContact NE2-CZ 3.28Å; H2039-Y2073 PolarHBondContact NE2-OH 3.34Å | ||
| 2040 | H | 83.1 | Confident | 73.8 | Confident | 55.6 Ų | 55.6 | 61.4 Ų | 61.4 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.1 | 180 | 75 | 65.3 | 0 | 0 | 0 | 113.9 | L2042 V2043 Y2073 S2077 P2082 G2083 | H2040-L2042 VanDerWaalsContact C-N 3.32Å; H2040-V2043 CarbonylContact C-O 3.51Å; H2040-V2043 VanDerWaalsContact CA-O 3.3Å; H2040-V2043 WeakPolarHBondContact CA-O 3.38Å; H2040-V2043 CarbonylContact O-C 3.42Å; H2040-Y2073 AromaticContact CD2-CE2 3.87Å; H2040-Y2073 PolarHBondContact CD2-OH 3.23Å; H2040-Y2073 VanDerWaalsContact CD2-OH 3.24Å; H2040-Y2073 AromaticContact NE2-CE2 3.42Å; H2040-Y2073 WeakPolarHBondContact NE2-CE2 3.28Å; H2040-Y2073 AromaticContact NE2-CZ 3.81Å; H2040-Y2073 PolarHBondContact NE2-OH 3.41Å; H2040-S2077 PolarHBondContact CE1-OG 3.26Å; H2040-S2077 WeakPolarHBondContact NE2-CB 3.46Å; H2040-S2077 PolarHBondContact NE2-OG 2.79Å; H2040-P2082 HydrophobicContact CB-CB 4.49Å; H2040-P2082 CarbonylContact O-C 3.57Å; H2040-P2082 VanDerWaalsContact O-CA 3.27Å; H2040-P2082 WeakPolarHBondContact O-CA 3.42Å; H2040-P2082 WeakPolarHBondContact O-CB 3.24Å; H2040-G2083 PolarHBondContact O-N 3.02Å |
| 2041 | L | 85 | Confident | 71.3 | Confident | 0.6 Ų | 0.6 | 68.9 Ų | 68.9 | 0% | 0.003 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -26.5 | 177.9 | -72.5 | -179.4 | 0 | 0 | 0 | 112.5 | V1799 L2028 H2039 Y2073 A2076 F2080 R2081 G2083 Y2084 F2085 | V1799-L2041 HydrophobicContact CG1-CD1 4.07Å; V1799-L2041 HydrophobicContact CG2-CD1 4.31Å; L2028-L2041 HydrophobicContact CD1-CB 4.35Å; H2039-L2041 VanDerWaalsContact CE1-CD1 3.46Å; H2039-L2041 WeakPolarHBondContact CE1-CD1 3.35Å; H2039-L2041 VanDerWaalsContact CE1-CG 3.41Å; H2039-L2041 WeakPolarHBondContact CE1-CG 3.29Å; H2039-L2041 WeakPolarHBondContact ND1-CB 3.29Å; H2039-L2041 PolarHBondContact ND1-N 2.86Å; H2039-L2041 PolarHBondContact O-N 3.14Å; H2039-L2041 VanDerWaalsContact O-N 3.12Å; L2041-Y2073 HydrophobicContact CD1-CD1 4.47Å; L2041-A2076 HydrophobicContact CD1-CB 4.17Å; L2041-F2080 HydrophobicContact CD2-CB 3.86Å; L2041-F2080 VanDerWaalsContact CD2-O 3.25Å; L2041-F2080 WeakPolarHBondContact CD2-O 3.37Å; L2041-R2081 VanDerWaalsContact CD2-O 3.32Å; L2041-R2081 WeakPolarHBondContact CD2-O 3.32Å; L2041-G2083 CarbonylContact O-C 3.56Å; L2041-G2083 VanDerWaalsContact O-C 3.26Å; L2041-G2083 WeakPolarHBondContact O-CA 3.27Å; L2041-G2083 PolarHBondContact O-N 3.13Å; L2041-Y2084 PolarHBondContact O-N 3.05Å; L2041-F2085 HydrophobicContact CB-CD2 4.02Å; L2041-F2085 HydrophobicContact CD1-CD2 4.3Å; L2041-F2085 HydrophobicContact CD1-CE2 4.29Å; L2041-F2085 HydrophobicContact CD2-CD2 4.47Å; L2041-F2085 WeakPolarHBondContact O-CA 3.4Å; L2041-F2085 PolarHBondContact O-N 3.06Å |
| 2042 | L | 86.7 | Confident | 68.8 | Low | 0.6 Ų | 0.6 | 73.2 Ų | 73.2 | 0% | 0.003 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -44.4 | 175.4 | -173.7 | 67.1 | 0 | 0 | 0 | 110.7 | L2028 L2029 L2032 H2039 H2040 F2085 A2086 Y2144 | L2028-L2042 HydrophobicContact CB-CB 4.48Å; L2028-L2042 HydrophobicContact CB-CD1 4.38Å; L2028-L2042 HydrophobicContact CB-CD2 4.46Å; L2028-L2042 HydrophobicContact CD1-CB 4.39Å; L2029-L2042 HydrophobicContact CD2-CD2 4.18Å; L2032-L2042 HydrophobicContact CB-CD2 4.5Å; L2032-L2042 HydrophobicContact CD2-CD2 3.96Å; H2039-L2042 WeakPolarHBondContact O-CB 3.31Å; H2039-L2042 PolarHBondContact O-N 3.06Å; H2040-L2042 VanDerWaalsContact C-N 3.32Å; L2042-F2085 WeakPolarHBondContact CD1-O 3.38Å; L2042-A2086 VanDerWaalsContact O-CA 3.26Å; L2042-A2086 WeakPolarHBondContact O-CA 3.35Å; L2042-A2086 WeakPolarHBondContact O-CB 3.25Å; L2042-Y2144 HydrophobicContact CD1-CE1 3.98Å; L2042-Y2144 HydrophobicContact CD2-CD1 4.08Å; L2042-Y2144 HydrophobicContact CD2-CE1 4.14Å; L2042-Y2144 HydrophobicContact CG-CD1 4.4Å; L2042-Y2144 HydrophobicContact CG-CE1 3.96Å |
| 2043 | V | 81.7 | Confident | 66.3 | Low | 2.8 Ų | 2.8 | 82.9 Ų | 82.9 | 2% | 0.017 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -135.3 | 117 | -176 | 169.4 | 0 | 0 | 0 | 0 | 109 | C2038 H2039 H2040 A2045 H2129 V2132 Y2144 R2146 | C2038-V2043 VanDerWaalsContact SG-CB 3.57Å; C2038-V2043 WeakPolarHBondContact SG-CB 3.2Å; C2038-V2043 WeakPolarHBondContact SG-CG2 3.37Å; H2039-V2043 PolarHBondContact O-N 3.29Å; H2039-V2043 VanDerWaalsContact O-N 3.11Å; H2040-V2043 CarbonylContact C-O 3.51Å; H2040-V2043 VanDerWaalsContact CA-O 3.3Å; H2040-V2043 WeakPolarHBondContact CA-O 3.38Å; H2040-V2043 CarbonylContact O-C 3.42Å; V2043-A2045 PolarHBondContact O-N 3.12Å; V2043-H2129 WeakPolarHBondContact CG1-CD2 3.5Å; V2043-H2129 WeakPolarHBondContact CG1-NE2 3.38Å; V2043-V2132 HydrophobicContact CG1-CG2 4.02Å; V2043-Y2144 HydrophobicContact CG2-CD2 4.23Å; V2043-Y2144 HydrophobicContact CG2-CE1 4.48Å; V2043-Y2144 HydrophobicContact CG2-CE2 3.84Å; V2043-R2146 VanDerWaalsContact CA-NH2 3.3Å; V2043-R2146 VanDerWaalsContact CB-NH2 3.31Å |
| 2044 | E | 73.5 | Confident | 63.8 | Low | 113.8 Ų | 113.8 | 82.5 Ų | 82.5 | 53% | 0.532 | 44% | 0.444 | S | S | . | . | trans | -59.3 | 125.8 | 171 | -78.1 | 177.9 | 177.4 | 0 | 0 | 109.4 | R2046 P2082 R2146 | E2044-R2046 PolarHBondContact O-N 3.08Å; E2044-R2046 VanDerWaalsContact O-N 3.12Å; E2044-P2082 HydrophobicContact CG-CB 4.06Å; E2044-R2146 PolarHBondContact O-NH2 3.43Å; E2044-R2146 VanDerWaalsContact O-NH2 3.16Å | ||
| 2045 | A | 62.5 | Low | 61 | Low | 70 Ų | 70 | 79.1 Ų | 79.1 | 58% | 0.579 | 44% | 0.436 | S | S | * | . | trans | -61.8 | 117.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V2043 D2047 | V2043-A2045 PolarHBondContact O-N 3.12Å; A2045-D2047 VanDerWaalsContact C-N 3.28Å; A2045-D2047 PolarHBondContact O-N 3.05Å; A2045-D2047 VanDerWaalsContact O-N 3.15Å | ||
| 2046 | R | 51.9 | Low | 58.7 | Low | 114.6 Ų | 114.6 | 81 Ų | 81 | 43% | 0.432 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -77.5 | 96.2 | 171.7 | -88 | -169.6 | 173.5 | -162.8 | -6.3 | 109.9 | E2044 G2048 D2152 | E2044-R2046 PolarHBondContact O-N 3.08Å; E2044-R2046 VanDerWaalsContact O-N 3.12Å; R2046-G2048 PolarHBondContact O-N 2.86Å; R2046-G2048 VanDerWaalsContact O-N 3.12Å; R2046-D2152 IonicContact CZ-OD2 3.73Å; R2046-D2152 IonicContact NH1-OD2 3.15Å; R2046-D2152 PolarHBondContact NH1-OD2 2.74Å; R2046-D2152 IonicContact NH2-OD2 3.94Å; R2046-D2152 PolarHBondContact NH2-OD2 2.9Å |
| 2047 | D | 45 | Very low | 56.5 | Low | 114.6 Ų | 114.6 | 81.8 Ų | 81.8 | 61% | 0.613 | 46% | 0.46 | S | S | * | . | trans | -172.9 | 103.6 | 148.3 | -75.1 | -27.3 | 0 | 0 | 0 | 112 | A2045 S2049 L2050 | A2045-D2047 VanDerWaalsContact C-N 3.28Å; A2045-D2047 PolarHBondContact O-N 3.05Å; A2045-D2047 VanDerWaalsContact O-N 3.15Å; D2047-S2049 VanDerWaalsContact C-N 3.26Å; D2047-S2049 WeakPolarHBondContact CB-OG 3.41Å; D2047-S2049 PolarHBondContact O-N 3.05Å; D2047-L2050 HydrophobicContact CB-CD1 4.02Å; D2047-L2050 HydrophobicContact CB-CG 3.89Å; D2047-L2050 PolarHBondContact O-N 3.08Å; D2047-L2050 VanDerWaalsContact O-N 3.12Å | ||
| 2048 | G | 40.8 | Very low | 54.8 | Low | 71 Ų | 71 | 84.6 Ų | 84.6 | 73% | 0.732 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -50.4 | 1.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R2046 L2050 W2051 | R2046-G2048 PolarHBondContact O-N 2.86Å; R2046-G2048 VanDerWaalsContact O-N 3.12Å; G2048-L2050 VanDerWaalsContact C-N 3.29Å; G2048-L2050 PolarHBondContact O-N 3.4Å; G2048-W2051 PolarHBondContact O-N 3Å |
| 2049 | S | 35.3 | Very low | 52.9 | Low | 79 Ų | 79 | 89.2 Ų | 89.2 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -79.1 | -10.9 | 173.1 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | D2047 W2051 N2052 | D2047-S2049 VanDerWaalsContact C-N 3.26Å; D2047-S2049 WeakPolarHBondContact CB-OG 3.41Å; D2047-S2049 PolarHBondContact O-N 3.05Å; S2049-W2051 VanDerWaalsContact C-N 3.31Å; S2049-W2051 PolarHBondContact O-N 3.11Å; S2049-N2052 PolarHBondContact O-N 3.1Å |
| 2050 | L | 34.4 | Very low | 51.2 | Low | 111.6 Ų | 111.6 | 95.4 Ų | 95.4 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -68.8 | -12.3 | 175.7 | -78.4 | 164.8 | 0 | 0 | 0 | 114 | D2047 G2048 N2052 D2057 | D2047-L2050 HydrophobicContact CB-CD1 4.02Å; D2047-L2050 HydrophobicContact CB-CG 3.89Å; D2047-L2050 PolarHBondContact O-N 3.08Å; D2047-L2050 VanDerWaalsContact O-N 3.12Å; G2048-L2050 VanDerWaalsContact C-N 3.29Å; G2048-L2050 PolarHBondContact O-N 3.4Å; L2050-N2052 PolarHBondContact O-N 3.22Å; L2050-D2057 VanDerWaalsContact CD2-OD2 3.3Å; L2050-D2057 WeakPolarHBondContact CD2-OD2 3.37Å |
| 2051 | W | 36.5 | Very low | 49.4 | Very low | 228.4 Ų | 228.4 | 97.8 Ų | 97.8 | 87% | 0.865 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -99.1 | 16.6 | 176.3 | -59.9 | 77.9 | 0 | 0 | 0 | 113.2 | G2048 S2049 E2053 | G2048-W2051 PolarHBondContact O-N 3Å; S2049-W2051 VanDerWaalsContact C-N 3.31Å; S2049-W2051 PolarHBondContact O-N 3.11Å; W2051-E2053 VanDerWaalsContact C-N 3.3Å; W2051-E2053 PolarHBondContact O-N 3.26Å |
| 2052 | N | 35.3 | Very low | 47.6 | Very low | 127.4 Ų | 127.4 | 102.3 Ų | 102.3 | 68% | 0.681 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -69.5 | 101.5 | 158 | -87.9 | -9 | 0 | 0 | 0 | 107.3 | S2049 L2050 G2054 | S2049-N2052 PolarHBondContact O-N 3.1Å; L2050-N2052 PolarHBondContact O-N 3.22Å; N2052-G2054 PolarHBondContact O-N 3.15Å; N2052-G2054 VanDerWaalsContact O-N 3.08Å |
| 2053 | E | 37.9 | Very low | 45.7 | Very low | 203.2 Ų | 203.2 | 106.1 Ų | 106.1 | 95% | 0.95 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.3 | 102.9 | 175.2 | -71.5 | 177.4 | 144.1 | 0 | 0 | 110.9 | W2051 | W2051-E2053 VanDerWaalsContact C-N 3.3Å; W2051-E2053 PolarHBondContact O-N 3.26Å |
| 2054 | G | 37.3 | Very low | 44 | Very low | 80 Ų | 80 | 111.5 Ų | 111.5 | 83% | 0.825 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.5 | -13 | 169 | 0 | 0 | 0 | 0 | 0 | 118.8 | N2052 | N2052-G2054 PolarHBondContact O-N 3.15Å; N2052-G2054 VanDerWaalsContact O-N 3.08Å |
| 2055 | S | 31.5 | Very low | 42.6 | Very low | 71.8 Ų | 71.8 | 109.6 Ų | 109.6 | 50% | 0.502 | 63% | 0.634 | S | S | . | * | trans | -109.2 | 106.8 | 178.5 | 50 | 0 | 0 | 0 | 0 | 111.9 | D2057 | S2055-D2057 VanDerWaalsContact C-N 3.3Å; S2055-D2057 PolarHBondContact O-N 3.1Å | ||
| 2056 | S | 37.7 | Very low | 41.9 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | trans | -76.3 | 52.3 | 178.6 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | I2058 V2059 | S2056-I2058 VanDerWaalsContact C-N 3.31Å; S2056-I2058 PolarHBondContact O-N 3.07Å; S2056-V2059 VanDerWaalsContact O-CB 3.28Å; S2056-V2059 WeakPolarHBondContact O-CB 3.33Å; S2056-V2059 PolarHBondContact O-N 3.2Å | ||
| 2057 | D | 38.8 | Very low | 41.8 | Very low | 84 Ų | 84 | 112.5 Ų | 112.5 | 45% | 0.449 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -4.5 | -173.2 | -68.5 | -7.2 | 0 | 0 | 0 | 113.7 | L2050 S2055 V2059 E2060 D2061 | L2050-D2057 VanDerWaalsContact CD2-OD2 3.3Å; L2050-D2057 WeakPolarHBondContact CD2-OD2 3.37Å; S2055-D2057 VanDerWaalsContact C-N 3.3Å; S2055-D2057 PolarHBondContact O-N 3.1Å; D2057-V2059 PolarHBondContact O-N 3.11Å; D2057-E2060 PolarHBondContact O-N 3.14Å; D2057-D2061 PolarHBondContact O-N 3.14Å; D2057-D2061 VanDerWaalsContact O-N 3.14Å |
| 2058 | I | 47.6 | Very low | 42.1 | Very low | 129 Ų | 129 | 116.2 Ų | 116.2 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61 | -27.2 | 168.4 | -58.9 | 174.6 | 0 | 0 | 0 | 110.3 | S2056 L2062 | S2056-I2058 VanDerWaalsContact C-N 3.31Å; S2056-I2058 PolarHBondContact O-N 3.07Å; I2058-L2062 HydrophobicContact CG2-CD1 4.1Å; I2058-L2062 WeakPolarHBondContact O-CB 3.44Å; I2058-L2062 VanDerWaalsContact O-CD1 3.24Å; I2058-L2062 WeakPolarHBondContact O-CD1 3.23Å; I2058-L2062 PolarHBondContact O-N 3.25Å |
| 2059 | V | 45.3 | Very low | 42.8 | Very low | 102.8 Ų | 102.8 | 118.1 Ų | 118.1 | 62% | 0.623 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.9 | -28.8 | -178.6 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | S2056 D2057 L2062 A2063 | S2056-V2059 VanDerWaalsContact O-CB 3.28Å; S2056-V2059 WeakPolarHBondContact O-CB 3.33Å; S2056-V2059 PolarHBondContact O-N 3.2Å; D2057-V2059 PolarHBondContact O-N 3.11Å; V2059-L2062 VanDerWaalsContact O-CB 3.3Å; V2059-L2062 WeakPolarHBondContact O-CB 3.38Å; V2059-L2062 PolarHBondContact O-N 3.15Å; V2059-A2063 PolarHBondContact O-N 3.12Å; V2059-A2063 VanDerWaalsContact O-N 3.15Å |
| 2060 | E | 47.1 | Very low | 43.6 | Very low | 147.6 Ų | 147.6 | 116.6 Ų | 116.6 | 69% | 0.69 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -79.3 | -36.5 | 177.8 | -81 | -168.1 | 164.3 | 0 | 0 | 112.8 | D2057 L2062 A2063 | D2057-E2060 PolarHBondContact O-N 3.14Å; E2060-L2062 PolarHBondContact O-N 3.18Å; E2060-L2062 VanDerWaalsContact O-N 3.15Å; E2060-A2063 PolarHBondContact O-N 3.21Å; E2060-A2063 VanDerWaalsContact O-N 3.1Å |
| 2061 | D | 45.9 | Very low | 44.5 | Very low | 104.2 Ų | 104.2 | 116.4 Ų | 116.4 | 56% | 0.557 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60.7 | -26.3 | 170.7 | -89.3 | -7.1 | 0 | 0 | 0 | 111.7 | D2057 L2065 | D2057-D2061 PolarHBondContact O-N 3.14Å; D2057-D2061 VanDerWaalsContact O-N 3.14Å; D2061-L2065 WeakPolarHBondContact O-CD1 3.39Å; D2061-L2065 VanDerWaalsContact O-CG 3.23Å; D2061-L2065 WeakPolarHBondContact O-CG 3.45Å |
| 2062 | L | 45.7 | Very low | 45.5 | Very low | 95.6 Ų | 95.6 | 106.9 Ų | 106.9 | 50% | 0.501 | 62% | 0.615 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.3 | -18.5 | 176.1 | -98.7 | 115.8 | 0 | 0 | 0 | 114.5 | I2058 V2059 E2060 C2064 L2065 L2074 | I2058-L2062 HydrophobicContact CG2-CD1 4.1Å; I2058-L2062 WeakPolarHBondContact O-CB 3.44Å; I2058-L2062 VanDerWaalsContact O-CD1 3.24Å; I2058-L2062 WeakPolarHBondContact O-CD1 3.23Å; I2058-L2062 PolarHBondContact O-N 3.25Å; V2059-L2062 VanDerWaalsContact O-CB 3.3Å; V2059-L2062 WeakPolarHBondContact O-CB 3.38Å; V2059-L2062 PolarHBondContact O-N 3.15Å; E2060-L2062 PolarHBondContact O-N 3.18Å; E2060-L2062 VanDerWaalsContact O-N 3.15Å; L2062-C2064 VanDerWaalsContact C-N 3.3Å; L2062-C2064 PolarHBondContact O-N 3.22Å; L2062-L2065 HydrophobicContact CD2-CD1 4.03Å; L2062-L2074 HydrophobicContact CD2-CD2 4.12Å |
| 2063 | A | 47.5 | Very low | 46.7 | Very low | 80.8 Ų | 80.8 | 103 Ų | 103 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -8.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V2059 E2060 | V2059-A2063 PolarHBondContact O-N 3.12Å; V2059-A2063 VanDerWaalsContact O-N 3.15Å; E2060-A2063 PolarHBondContact O-N 3.21Å; E2060-A2063 VanDerWaalsContact O-N 3.1Å |
| 2064 | C | 46.3 | Very low | 47.7 | Very low | 117 Ų | 117 | 98.1 Ų | 98.1 | 79% | 0.791 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 10 | -176.5 | -104.8 | 0 | 0 | 0 | 0 | 114.5 | L2062 D2066 | L2062-C2064 VanDerWaalsContact C-N 3.3Å; L2062-C2064 PolarHBondContact O-N 3.22Å; C2064-D2066 PolarHBondContact O-N 3.31Å |
| 2065 | L | 43.5 | Very low | 49.1 | Very low | 72.2 Ų | 72.2 | 96.5 Ų | 96.5 | 38% | 0.378 | 55% | 0.549 | S | S | . | . | trans | -122.6 | 92.3 | -164.2 | -65.4 | 176.6 | 0 | 0 | 0 | 111.2 | D2061 L2062 E2070 | D2061-L2065 WeakPolarHBondContact O-CD1 3.39Å; D2061-L2065 VanDerWaalsContact O-CG 3.23Å; D2061-L2065 WeakPolarHBondContact O-CG 3.45Å; L2062-L2065 HydrophobicContact CD2-CD1 4.03Å; L2065-E2070 WeakPolarHBondContact CA-OE1 3.25Å; L2065-E2070 WeakPolarHBondContact CA-OE2 3.28Å; L2065-E2070 HydrophobicContact CB-CB 4.46Å; L2065-E2070 VanDerWaalsContact CB-CD 3.43Å; L2065-E2070 HydrophobicContact CB-CG 4.47Å; L2065-E2070 VanDerWaalsContact CB-OE1 3.26Å; L2065-E2070 WeakPolarHBondContact CB-OE1 3.39Å; L2065-E2070 WeakPolarHBondContact CB-OE2 3.38Å; L2065-E2070 VanDerWaalsContact CD1-OE1 3.26Å; L2065-E2070 WeakPolarHBondContact CD1-OE1 3.38Å; L2065-E2070 HydrophobicContact CD2-CG 4.33Å; L2065-E2070 VanDerWaalsContact CD2-OE1 3.23Å; L2065-E2070 WeakPolarHBondContact CD2-OE1 3.44Å; L2065-E2070 WeakPolarHBondContact CD2-OE2 3.27Å | ||
| 2066 | D | 47.7 | Very low | 50.6 | Low | 168.6 Ų | 168.6 | 93.3 Ų | 93.3 | 90% | 0.902 | 53% | 0.527 | S | S | * | . | trans | -101.6 | 19.2 | -170.6 | -98.4 | -19.7 | 0 | 0 | 0 | 114.1 | C2064 E2070 | C2064-D2066 PolarHBondContact O-N 3.31Å; D2066-E2070 PolarHBondContact N-OE1 3.02Å | ||
| 2067 | T | 51.3 | Low | 51.9 | Low | 78.6 Ų | 78.6 | 90.6 Ų | 90.6 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -118.7 | 144 | -170.9 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | E2069 E2070 | T2067-E2069 PolarHBondContact O-N 3.02Å; T2067-E2069 VanDerWaalsContact O-N 3.09Å; T2067-E2070 PolarHBondContact N-OE1 3.08Å; T2067-E2070 PolarHBondContact O-N 2.96Å; T2067-E2070 VanDerWaalsContact O-N 3.17Å; T2067-E2070 PolarHBondContact OG1-OE1 3.41Å; T2067-E2070 PolarHBondContact OG1-OE2 3.23Å; T2067-E2070 VanDerWaalsContact OG1-OE2 3.13Å |
| 2068 | E | 51.4 | Low | 53.3 | Low | 191.4 Ų | 191.4 | 91.3 Ų | 91.3 | 89% | 0.894 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -55.1 | -14.2 | 177.5 | -65.7 | -170.2 | 153.6 | 0 | 0 | 114.2 | E2070 | E2068-E2070 VanDerWaalsContact C-N 3.28Å; E2068-E2070 PolarHBondContact O-N 3.08Å |
| 2069 | E | 53.5 | Low | 54.6 | Low | 111.2 Ų | 111.2 | 90.6 Ų | 90.6 | 52% | 0.52 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -67.7 | -20.3 | 178.5 | -60.7 | -173.7 | 160.7 | 0 | 0 | 113.1 | H1801 T2067 G2072 Y2073 | H1801-E2069 VanDerWaalsContact CE1-CD 3.45Å; H1801-E2069 IonicContact CE1-OE1 3.22Å; H1801-E2069 PolarHBondContact CE1-OE1 3Å; H1801-E2069 VanDerWaalsContact CE1-OE1 3.25Å; H1801-E2069 IonicContact CE1-OE2 2.79Å; H1801-E2069 PolarHBondContact CE1-OE2 3.01Å; H1801-E2069 IonicContact ND1-OE1 3.06Å; T2067-E2069 PolarHBondContact O-N 3.02Å; T2067-E2069 VanDerWaalsContact O-N 3.09Å; E2069-G2072 PolarHBondContact O-N 3.22Å; E2069-Y2073 VanDerWaalsContact O-CD2 3.27Å; E2069-Y2073 WeakPolarHBondContact O-CD2 3.48Å; E2069-Y2073 PolarHBondContact O-N 3.47Å |
| 2070 | E | 53.6 | Low | 56.3 | Low | 46.8 Ų | 46.8 | 87.6 Ų | 87.6 | 22% | 0.219 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -87.3 | -15.3 | -171.9 | -66.9 | 174.9 | 171.8 | 0 | 0 | 115.4 | L2065 D2066 T2067 E2068 G2072 Y2073 L2074 | L2065-E2070 WeakPolarHBondContact CA-OE1 3.25Å; L2065-E2070 WeakPolarHBondContact CA-OE2 3.28Å; L2065-E2070 HydrophobicContact CB-CB 4.46Å; L2065-E2070 VanDerWaalsContact CB-CD 3.43Å; L2065-E2070 HydrophobicContact CB-CG 4.47Å; L2065-E2070 VanDerWaalsContact CB-OE1 3.26Å; L2065-E2070 WeakPolarHBondContact CB-OE1 3.39Å; L2065-E2070 WeakPolarHBondContact CB-OE2 3.38Å; L2065-E2070 VanDerWaalsContact CD1-OE1 3.26Å; L2065-E2070 WeakPolarHBondContact CD1-OE1 3.38Å; L2065-E2070 HydrophobicContact CD2-CG 4.33Å; L2065-E2070 VanDerWaalsContact CD2-OE1 3.23Å; L2065-E2070 WeakPolarHBondContact CD2-OE1 3.44Å; L2065-E2070 WeakPolarHBondContact CD2-OE2 3.27Å; D2066-E2070 PolarHBondContact N-OE1 3.02Å; T2067-E2070 PolarHBondContact N-OE1 3.08Å; T2067-E2070 PolarHBondContact O-N 2.96Å; T2067-E2070 VanDerWaalsContact O-N 3.17Å; T2067-E2070 PolarHBondContact OG1-OE1 3.41Å; T2067-E2070 PolarHBondContact OG1-OE2 3.23Å; T2067-E2070 VanDerWaalsContact OG1-OE2 3.13Å; E2068-E2070 VanDerWaalsContact C-N 3.28Å; E2068-E2070 PolarHBondContact O-N 3.08Å; E2070-G2072 VanDerWaalsContact C-N 3.31Å; E2070-G2072 PolarHBondContact O-N 3.23Å; E2070-Y2073 WeakPolarHBondContact O-CA 3.46Å; E2070-Y2073 WeakPolarHBondContact O-CB 3.38Å; E2070-Y2073 PolarHBondContact O-N 3.18Å; E2070-Y2073 VanDerWaalsContact O-N 3.1Å; E2070-L2074 PolarHBondContact O-N 2.91Å; E2070-L2074 VanDerWaalsContact O-N 3.14Å |
| 2071 | V | 52.6 | Low | 58 | Low | 108.8 Ų | 108.8 | 88.9 Ų | 88.9 | 66% | 0.659 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 111 | Y2073 L2074 A2075 | V2071-Y2073 VanDerWaalsContact C-N 3.3Å; V2071-Y2073 PolarHBondContact O-N 3.22Å; V2071-L2074 PolarHBondContact O-N 3.44Å; V2071-A2075 PolarHBondContact O-N 3.02Å; V2071-A2075 VanDerWaalsContact O-N 3.16Å |
| 2072 | G | 57.5 | Low | 59.5 | Low | 28.6 Ų | 28.6 | 86.8 Ų | 86.8 | 30% | 0.295 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -32.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2069 E2070 A2076 | E2069-G2072 PolarHBondContact O-N 3.22Å; E2070-G2072 VanDerWaalsContact C-N 3.31Å; E2070-G2072 PolarHBondContact O-N 3.23Å; G2072-A2076 WeakPolarHBondContact O-CB 3.39Å; G2072-A2076 PolarHBondContact O-N 3.11Å |
| 2073 | Y | 61.7 | Low | 61.3 | Low | 44 Ų | 44 | 83 Ų | 83 | 17% | 0.173 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -69.6 | -46.3 | 178.9 | -167.2 | -92.2 | 0 | 0 | 0 | 112.6 | V1799 L1800 L2028 H2039 H2040 L2041 E2069 E2070 V2071 A2075 A2076 S2077 | V1799-Y2073 HydrophobicContact CG1-CD2 4.26Å; L1800-Y2073 HydrophobicContact CD2-CD2 4.29Å; L2028-Y2073 HydrophobicContact CD2-CD1 4.37Å; L2028-Y2073 HydrophobicContact CD2-CE1 3.55Å; L2028-Y2073 HydrophobicContact CG-CE1 4.5Å; H2039-Y2073 HydrophobicContact CB-CE2 4.32Å; H2039-Y2073 AromaticContact CD2-CD1 3.71Å; H2039-Y2073 AromaticContact CD2-CE1 3.54Å; H2039-Y2073 AromaticContact CD2-CE2 3.41Å; H2039-Y2073 WeakPolarHBondContact CD2-CE2 3.34Å; H2039-Y2073 AromaticContact CD2-CG 3.74Å; H2039-Y2073 AromaticContact CD2-CZ 3.16Å; H2039-Y2073 PolarHBondContact CD2-OH 3.26Å; H2039-Y2073 AromaticContact CE1-CD1 3.99Å; H2039-Y2073 AromaticContact CE1-CD2 3.53Å; H2039-Y2073 WeakPolarHBondContact CE1-CD2 3.46Å; H2039-Y2073 AromaticContact CE1-CE1 3.49Å; H2039-Y2073 VanDerWaalsContact CE1-CE1 3.49Å; H2039-Y2073 WeakPolarHBondContact CE1-CE1 3.39Å; H2039-Y2073 AromaticContact CE1-CE2 3.37Å; H2039-Y2073 WeakPolarHBondContact CE1-CE2 3.29Å; H2039-Y2073 AromaticContact CE1-CZ 3.2Å; H2039-Y2073 AromaticContact CG-CE2 3.58Å; H2039-Y2073 AromaticContact CG-CZ 3.36Å; H2039-Y2073 AromaticContact ND1-CE2 3.61Å; H2039-Y2073 VanDerWaalsContact ND1-CE2 3.33Å; H2039-Y2073 WeakPolarHBondContact ND1-CE2 3.38Å; H2039-Y2073 AromaticContact ND1-CZ 3.48Å; H2039-Y2073 VanDerWaalsContact NE2-CB 3.32Å; H2039-Y2073 WeakPolarHBondContact NE2-CB 3.3Å; H2039-Y2073 AromaticContact NE2-CD1 3.71Å; H2039-Y2073 AromaticContact NE2-CD2 3.37Å; H2039-Y2073 WeakPolarHBondContact NE2-CD2 3.01Å; H2039-Y2073 AromaticContact NE2-CE1 3.42Å; H2039-Y2073 WeakPolarHBondContact NE2-CE1 3.48Å; H2039-Y2073 AromaticContact NE2-CE2 3.19Å; H2039-Y2073 WeakPolarHBondContact NE2-CE2 3.42Å; H2039-Y2073 AromaticContact NE2-CG 3.65Å; H2039-Y2073 AromaticContact NE2-CZ 3.28Å; H2039-Y2073 PolarHBondContact NE2-OH 3.34Å; H2040-Y2073 AromaticContact CD2-CE2 3.87Å; H2040-Y2073 PolarHBondContact CD2-OH 3.23Å; H2040-Y2073 VanDerWaalsContact CD2-OH 3.24Å; H2040-Y2073 AromaticContact NE2-CE2 3.42Å; H2040-Y2073 WeakPolarHBondContact NE2-CE2 3.28Å; H2040-Y2073 AromaticContact NE2-CZ 3.81Å; H2040-Y2073 PolarHBondContact NE2-OH 3.41Å; L2041-Y2073 HydrophobicContact CD1-CD1 4.47Å; E2069-Y2073 VanDerWaalsContact O-CD2 3.27Å; E2069-Y2073 WeakPolarHBondContact O-CD2 3.48Å; E2069-Y2073 PolarHBondContact O-N 3.47Å; E2070-Y2073 WeakPolarHBondContact O-CA 3.46Å; E2070-Y2073 WeakPolarHBondContact O-CB 3.38Å; E2070-Y2073 PolarHBondContact O-N 3.18Å; E2070-Y2073 VanDerWaalsContact O-N 3.1Å; V2071-Y2073 VanDerWaalsContact C-N 3.3Å; V2071-Y2073 PolarHBondContact O-N 3.22Å; Y2073-A2075 VanDerWaalsContact C-N 3.29Å; Y2073-A2075 PolarHBondContact O-N 3.13Å; Y2073-A2076 WeakPolarHBondContact O-CB 3.42Å; Y2073-A2076 PolarHBondContact O-N 3.06Å; Y2073-A2076 VanDerWaalsContact O-N 3.15Å; Y2073-S2077 WeakPolarHBondContact O-CB 3.46Å; Y2073-S2077 PolarHBondContact O-N 2.99Å; Y2073-S2077 PolarHBondContact O-OG 3.09Å |
| 2074 | L | 58.7 | Low | 63.1 | Low | 101.8 Ų | 101.8 | 83.4 Ų | 83.4 | 53% | 0.533 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 175.7 | -72 | 171.9 | 0 | 0 | 0 | 111.8 | L2062 E2070 V2071 S2077 S2078 | L2062-L2074 HydrophobicContact CD2-CD2 4.12Å; E2070-L2074 PolarHBondContact O-N 2.91Å; E2070-L2074 VanDerWaalsContact O-N 3.14Å; V2071-L2074 PolarHBondContact O-N 3.44Å; L2074-S2077 PolarHBondContact O-N 3.28Å; L2074-S2077 PolarHBondContact O-OG 3.02Å; L2074-S2077 VanDerWaalsContact O-OG 3.09Å; L2074-S2078 PolarHBondContact O-N 3.21Å |
| 2075 | A | 65.1 | Low | 65.2 | Low | 44.8 Ų | 44.8 | 78 Ų | 78 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V2071 Y2073 S2077 S2078 Q2079 | V2071-A2075 PolarHBondContact O-N 3.02Å; V2071-A2075 VanDerWaalsContact O-N 3.16Å; Y2073-A2075 VanDerWaalsContact C-N 3.29Å; Y2073-A2075 PolarHBondContact O-N 3.13Å; A2075-S2077 VanDerWaalsContact C-N 3.34Å; A2075-S2077 PolarHBondContact O-N 3.4Å; A2075-S2078 PolarHBondContact O-N 3.05Å; A2075-S2078 PolarHBondContact O-OG 3.04Å; A2075-Q2079 WeakPolarHBondContact O-CG 3.42Å; A2075-Q2079 PolarHBondContact O-N 3.21Å |
| 2076 | A | 64.1 | Low | 67.4 | Low | 5 Ų | 5 | 76.4 Ų | 76.4 | 4% | 0.041 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.3 | -39 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | V1799 L2041 G2072 Y2073 S2078 Q2079 F2080 | V1799-A2076 HydrophobicContact CB-CB 4.38Å; V1799-A2076 HydrophobicContact CG1-CB 4.07Å; V1799-A2076 HydrophobicContact CG2-CB 4.04Å; L2041-A2076 HydrophobicContact CD1-CB 4.17Å; G2072-A2076 WeakPolarHBondContact O-CB 3.39Å; G2072-A2076 PolarHBondContact O-N 3.11Å; Y2073-A2076 WeakPolarHBondContact O-CB 3.42Å; Y2073-A2076 PolarHBondContact O-N 3.06Å; Y2073-A2076 VanDerWaalsContact O-N 3.15Å; A2076-S2078 PolarHBondContact O-N 3.07Å; A2076-Q2079 PolarHBondContact O-N 3.19Å; A2076-Q2079 VanDerWaalsContact O-N 3.11Å; A2076-F2080 HydrophobicContact CB-CD2 4.24Å; A2076-F2080 WeakPolarHBondContact O-CD2 3.35Å; A2076-F2080 PolarHBondContact O-N 3.23Å |
| 2077 | S | 65 | Low | 69.5 | Low | 40.6 Ų | 40.6 | 68.5 Ų | 68.5 | 28% | 0.284 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -26.8 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 113 | H2040 Y2073 L2074 A2075 | H2040-S2077 PolarHBondContact CE1-OG 3.26Å; H2040-S2077 WeakPolarHBondContact NE2-CB 3.46Å; H2040-S2077 PolarHBondContact NE2-OG 2.79Å; Y2073-S2077 WeakPolarHBondContact O-CB 3.46Å; Y2073-S2077 PolarHBondContact O-N 2.99Å; Y2073-S2077 PolarHBondContact O-OG 3.09Å; L2074-S2077 PolarHBondContact O-N 3.28Å; L2074-S2077 PolarHBondContact O-OG 3.02Å; L2074-S2077 VanDerWaalsContact O-OG 3.09Å; A2075-S2077 VanDerWaalsContact C-N 3.34Å; A2075-S2077 PolarHBondContact O-N 3.4Å |
| 2078 | S | 68.2 | Low | 71.3 | Confident | 98.4 Ų | 98.4 | 68.3 Ų | 68.3 | 69% | 0.688 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -76.4 | -26 | 172.7 | 78.5 | 0 | 0 | 0 | 0 | 113.7 | L2074 A2075 A2076 | L2074-S2078 PolarHBondContact O-N 3.21Å; A2075-S2078 PolarHBondContact O-N 3.05Å; A2075-S2078 PolarHBondContact O-OG 3.04Å; A2076-S2078 PolarHBondContact O-N 3.07Å |
| 2079 | Q | 73.8 | Confident | 73.1 | Confident | 114 Ų | 114 | 59.6 Ų | 59.6 | 53% | 0.533 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -95.4 | -33.6 | -175.9 | -67.5 | -179.9 | 19.9 | 0 | 0 | 113.2 | A2075 A2076 | A2075-Q2079 WeakPolarHBondContact O-CG 3.42Å; A2075-Q2079 PolarHBondContact O-N 3.21Å; A2076-Q2079 PolarHBondContact O-N 3.19Å; A2076-Q2079 VanDerWaalsContact O-N 3.11Å |
| 2080 | F | 82 | Confident | 74.7 | Confident | 39.2 Ų | 39.2 | 55.1 Ų | 55.1 | 17% | 0.172 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -116.3 | 133.1 | -174.7 | -57.7 | -70.7 | 0 | 0 | 0 | 111.1 | V1797 L2041 A2076 Y2084 F2085 | V1797-F2080 HydrophobicContact CB-CE2 4.27Å; V1797-F2080 HydrophobicContact CB-CZ 4.2Å; V1797-F2080 HydrophobicContact CG1-CE2 3.77Å; V1797-F2080 HydrophobicContact CG1-CZ 4.2Å; L2041-F2080 HydrophobicContact CD2-CB 3.86Å; L2041-F2080 VanDerWaalsContact CD2-O 3.25Å; L2041-F2080 WeakPolarHBondContact CD2-O 3.37Å; A2076-F2080 HydrophobicContact CB-CD2 4.24Å; A2076-F2080 WeakPolarHBondContact O-CD2 3.35Å; A2076-F2080 PolarHBondContact O-N 3.23Å; F2080-Y2084 HydrophobicContact CB-CD1 4.32Å; F2080-Y2084 HydrophobicContact CB-CG 4.26Å; F2080-Y2084 AromaticContact CD1-CD1 3.63Å; F2080-Y2084 HydrophobicContact CD1-CD1 3.63Å; F2080-Y2084 HydrophobicContact CD1-CD2 4.4Å; F2080-Y2084 AromaticContact CD1-CE1 3.64Å; F2080-Y2084 HydrophobicContact CD1-CE1 3.64Å; F2080-Y2084 HydrophobicContact CD1-CE2 4.4Å; F2080-Y2084 AromaticContact CD1-CG 3.94Å; F2080-Y2084 HydrophobicContact CD1-CG 4.03Å; F2080-Y2084 AromaticContact CD1-CZ 3.97Å; F2080-Y2084 HydrophobicContact CE1-CD1 4.26Å; F2080-Y2084 AromaticContact CE1-CE1 3.84Å; F2080-Y2084 HydrophobicContact CE1-CE1 3.84Å; F2080-Y2084 HydrophobicContact CG-CD1 4.16Å; F2080-Y2084 HydrophobicContact CG-CE1 4.49Å; F2080-Y2084 HydrophobicContact CG-CG 4.45Å; F2080-F2085 HydrophobicContact CB-CE2 4.19Å; F2080-F2085 HydrophobicContact CD1-CE2 4.4Å; F2080-F2085 HydrophobicContact CD1-CZ 4.23Å; F2080-F2085 AromaticContact CD2-CE2 3.81Å; F2080-F2085 HydrophobicContact CD2-CE2 3.81Å; F2080-F2085 AromaticContact CD2-CZ 3.95Å; F2080-F2085 HydrophobicContact CD2-CZ 3.97Å; F2080-F2085 HydrophobicContact CE1-CZ 4.27Å; F2080-F2085 HydrophobicContact CE2-CE2 4.3Å; F2080-F2085 AromaticContact CE2-CZ 3.96Å; F2080-F2085 HydrophobicContact CE2-CZ 4.01Å; F2080-F2085 AromaticContact CG-CE2 3.87Å; F2080-F2085 HydrophobicContact CG-CE2 3.87Å; F2080-F2085 HydrophobicContact CG-CZ 4.09Å; F2080-F2085 HydrophobicContact CZ-CZ 4.17Å |
| 2081 | R | 82.1 | Confident | 76.3 | Confident | 175 Ų | 175 | 52.9 Ų | 52.9 | 66% | 0.66 | 30% | 0.301 | S | S | * | . | trans | -64.2 | 152.1 | 172.5 | 66.2 | 177 | -176.7 | -174.8 | -1.5 | 111.4 | L2041 Y2084 | L2041-R2081 VanDerWaalsContact CD2-O 3.32Å; L2041-R2081 WeakPolarHBondContact CD2-O 3.32Å; R2081-Y2084 WeakPolarHBondContact O-CB 3.39Å; R2081-Y2084 PolarHBondContact O-N 3.07Å; R2081-Y2084 VanDerWaalsContact O-N 3.12Å | ||
| 2082 | P | 78.3 | Confident | 78 | Confident | 61.2 Ų | 61.2 | 50.1 Ų | 50.1 | 40% | 0.397 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 142.7 | 167.8 | -26.9 | 35.5 | 0 | 0 | 0 | 111.9 | H2040 E2044 Y2084 | H2040-P2082 HydrophobicContact CB-CB 4.49Å; H2040-P2082 CarbonylContact O-C 3.57Å; H2040-P2082 VanDerWaalsContact O-CA 3.27Å; H2040-P2082 WeakPolarHBondContact O-CA 3.42Å; H2040-P2082 WeakPolarHBondContact O-CB 3.24Å; E2044-P2082 HydrophobicContact CG-CB 4.06Å; P2082-Y2084 PolarHBondContact O-N 3.04Å; P2082-Y2084 VanDerWaalsContact O-N 3.16Å |
| 2083 | G | 82.7 | Confident | 79.3 | Confident | 15.8 Ų | 15.8 | 52.1 Ų | 52.1 | 16% | 0.163 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 2.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | H2040 L2041 F2085 A2086 | H2040-G2083 PolarHBondContact O-N 3.02Å; L2041-G2083 CarbonylContact O-C 3.56Å; L2041-G2083 VanDerWaalsContact O-C 3.26Å; L2041-G2083 WeakPolarHBondContact O-CA 3.27Å; L2041-G2083 PolarHBondContact O-N 3.13Å; G2083-F2085 VanDerWaalsContact C-N 3.25Å; G2083-F2085 PolarHBondContact O-N 3.01Å; G2083-A2086 VanDerWaalsContact O-CB 3.22Å; G2083-A2086 WeakPolarHBondContact O-CB 3.32Å; G2083-A2086 PolarHBondContact O-N 3.41Å |
| 2084 | Y | 86.4 | Confident | 80.3 | Confident | 88.6 Ų | 88.6 | 51.5 Ų | 51.5 | 35% | 0.347 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -37.8 | 179 | -178.7 | -94.2 | 0 | 0 | 0 | 112.9 | K2021 L2041 F2080 R2081 P2082 A2086 | K2021-Y2084 WeakPolarHBondContact CE-O 3.33Å; K2021-Y2084 PolarHBondContact NZ-O 2.93Å; K2021-Y2084 VanDerWaalsContact NZ-O 3.07Å; L2041-Y2084 PolarHBondContact O-N 3.05Å; F2080-Y2084 HydrophobicContact CB-CD1 4.32Å; F2080-Y2084 HydrophobicContact CB-CG 4.26Å; F2080-Y2084 AromaticContact CD1-CD1 3.63Å; F2080-Y2084 HydrophobicContact CD1-CD1 3.63Å; F2080-Y2084 HydrophobicContact CD1-CD2 4.4Å; F2080-Y2084 AromaticContact CD1-CE1 3.64Å; F2080-Y2084 HydrophobicContact CD1-CE1 3.64Å; F2080-Y2084 HydrophobicContact CD1-CE2 4.4Å; F2080-Y2084 AromaticContact CD1-CG 3.94Å; F2080-Y2084 HydrophobicContact CD1-CG 4.03Å; F2080-Y2084 AromaticContact CD1-CZ 3.97Å; F2080-Y2084 HydrophobicContact CE1-CD1 4.26Å; F2080-Y2084 AromaticContact CE1-CE1 3.84Å; F2080-Y2084 HydrophobicContact CE1-CE1 3.84Å; F2080-Y2084 HydrophobicContact CG-CD1 4.16Å; F2080-Y2084 HydrophobicContact CG-CE1 4.49Å; F2080-Y2084 HydrophobicContact CG-CG 4.45Å; R2081-Y2084 WeakPolarHBondContact O-CB 3.39Å; R2081-Y2084 PolarHBondContact O-N 3.07Å; R2081-Y2084 VanDerWaalsContact O-N 3.12Å; P2082-Y2084 PolarHBondContact O-N 3.04Å; P2082-Y2084 VanDerWaalsContact O-N 3.16Å; Y2084-A2086 VanDerWaalsContact C-N 3.34Å |
| 2085 | F | 90.6 | Very high | 81.5 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.013 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 17.2 | 177.3 | -60.7 | -74.5 | 0 | 0 | 0 | 112.7 | V1799 K2021 N2024 Q2025 L2028 L2041 L2042 F2080 G2083 C2087 | V1799-F2085 HydrophobicContact CG2-CD2 4.28Å; V1799-F2085 HydrophobicContact CG2-CE2 3.63Å; V1799-F2085 HydrophobicContact CG2-CZ 4.02Å; K2021-F2085 HydrophobicContact CB-CE1 4.48Å; K2021-F2085 HydrophobicContact CG-CD1 3.89Å; K2021-F2085 HydrophobicContact CG-CE1 4.24Å; N2024-F2085 HydrophobicContact CB-CD1 3.68Å; N2024-F2085 HydrophobicContact CB-CE1 3.51Å; N2024-F2085 VanDerWaalsContact CB-CE1 3.45Å; N2024-F2085 HydrophobicContact CB-CE2 4.49Å; N2024-F2085 HydrophobicContact CB-CG 4.33Å; N2024-F2085 HydrophobicContact CB-CZ 4.06Å; N2024-F2085 WeakPolarHBondContact ND2-CE1 3.2Å; N2024-F2085 WeakPolarHBondContact ND2-CZ 3.25Å; Q2025-F2085 HydrophobicContact CG-CB 4.02Å; Q2025-F2085 HydrophobicContact CG-CD1 4.46Å; Q2025-F2085 WeakPolarHBondContact CG-O 3.42Å; Q2025-F2085 PolarHBondContact NE2-O 3.08Å; L2028-F2085 HydrophobicContact CD1-CB 3.71Å; L2028-F2085 HydrophobicContact CD1-CD2 4.09Å; L2028-F2085 HydrophobicContact CD1-CG 4.04Å; L2041-F2085 HydrophobicContact CB-CD2 4.02Å; L2041-F2085 HydrophobicContact CD1-CD2 4.3Å; L2041-F2085 HydrophobicContact CD1-CE2 4.29Å; L2041-F2085 HydrophobicContact CD2-CD2 4.47Å; L2041-F2085 WeakPolarHBondContact O-CA 3.4Å; L2041-F2085 PolarHBondContact O-N 3.06Å; L2042-F2085 WeakPolarHBondContact CD1-O 3.38Å; F2080-F2085 HydrophobicContact CB-CE2 4.19Å; F2080-F2085 HydrophobicContact CD1-CE2 4.4Å; F2080-F2085 HydrophobicContact CD1-CZ 4.23Å; F2080-F2085 AromaticContact CD2-CE2 3.81Å; F2080-F2085 HydrophobicContact CD2-CE2 3.81Å; F2080-F2085 AromaticContact CD2-CZ 3.95Å; F2080-F2085 HydrophobicContact CD2-CZ 3.97Å; F2080-F2085 HydrophobicContact CE1-CZ 4.27Å; F2080-F2085 HydrophobicContact CE2-CE2 4.3Å; F2080-F2085 AromaticContact CE2-CZ 3.96Å; F2080-F2085 HydrophobicContact CE2-CZ 4.01Å; F2080-F2085 AromaticContact CG-CE2 3.87Å; F2080-F2085 HydrophobicContact CG-CE2 3.87Å; F2080-F2085 HydrophobicContact CG-CZ 4.09Å; F2080-F2085 HydrophobicContact CZ-CZ 4.17Å; G2083-F2085 VanDerWaalsContact C-N 3.25Å; G2083-F2085 PolarHBondContact O-N 3.01Å; F2085-C2087 PolarHBondContact O-N 3.22Å; F2085-C2087 VanDerWaalsContact O-N 3.15Å |
| 2086 | A | 88.8 | Confident | 82.1 | Confident | 38.2 Ų | 38.2 | 48 Ų | 48 | 32% | 0.316 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -55.3 | 128.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q2025 L2042 G2083 Y2084 | Q2025-A2086 PolarHBondContact NE2-O 3.22Å; L2042-A2086 VanDerWaalsContact O-CA 3.26Å; L2042-A2086 WeakPolarHBondContact O-CA 3.35Å; L2042-A2086 WeakPolarHBondContact O-CB 3.25Å; G2083-A2086 VanDerWaalsContact O-CB 3.22Å; G2083-A2086 WeakPolarHBondContact O-CB 3.32Å; G2083-A2086 PolarHBondContact O-N 3.41Å; Y2084-A2086 VanDerWaalsContact C-N 3.34Å |
| 2087 | C | 91.6 | Very high | 82.7 | Confident | 4.2 Ų | 4.2 | 48.6 Ų | 48.6 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 146 | 177.8 | -64.3 | 0 | 0 | 0 | 0 | 111 | F2085 Y2144 H2200 | F2085-C2087 PolarHBondContact O-N 3.22Å; F2085-C2087 VanDerWaalsContact O-N 3.15Å; C2087-Y2144 HydrophobicContact CB-CE1 3.77Å; C2087-Y2144 PolarHBondContact N-OH 3.21Å; C2087-Y2144 VanDerWaalsContact N-OH 3.16Å; C2087-H2200 HydrophobicContact CB-CB 4.1Å; C2087-H2200 PolarHBondContact O-ND1 3.12Å; C2087-H2200 VanDerWaalsContact O-ND1 3.13Å |
| 2088 | P | 89.1 | Confident | 83.6 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 47% | 0.474 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -60.1 | 152.2 | 173.1 | 27.5 | -34.1 | 0 | 0 | 0 | 110.9 | V2090 H2200 G2201 | P2088-V2090 HydrophobicContact CG-CG1 4.49Å; P2088-V2090 PolarHBondContact O-N 3.23Å; P2088-H2200 VanDerWaalsContact O-CA 3.3Å; P2088-H2200 WeakPolarHBondContact O-CA 3.42Å; P2088-G2201 WeakPolarHBondContact CD-O 3.46Å; P2088-G2201 WeakPolarHBondContact CG-O 3.39Å; P2088-G2201 PolarHBondContact O-N 3.14Å |
| 2089 | C | 88.6 | Confident | 84.1 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 120.1 | 169.3 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | A2091 L2158 C2162 V2199 | C2089-A2091 PolarHBondContact SG-O 3.24Å; C2089-A2091 VanDerWaalsContact SG-O 3.37Å; C2089-L2158 HydrophobicContact CB-CD1 4.14Å; C2089-L2158 HydrophobicContact CB-CD2 3.91Å; C2089-L2158 HydrophobicContact CB-CG 3.86Å; C2089-C2162 HydrophobicContact CB-CB 4.3Å; C2089-C2162 PolarHBondContact O-SG 3.26Å; C2089-C2162 VanDerWaalsContact O-SG 3.35Å; C2089-V2199 CarbonylContact C-O 3.5Å; C2089-V2199 WeakPolarHBondContact CA-O 3.38Å |
| 2090 | V | 88.6 | Confident | 84.5 | Confident | 16.6 Ų | 16.6 | 40.8 Ų | 40.8 | 10% | 0.101 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -21.8 | -177.1 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | P2088 F2143 C2164 V2199 G2201 P2205 | P2088-V2090 HydrophobicContact CG-CG1 4.49Å; P2088-V2090 PolarHBondContact O-N 3.23Å; V2090-F2143 HydrophobicContact CG2-CD1 4.08Å; V2090-F2143 HydrophobicContact CG2-CE1 4.18Å; V2090-C2164 VanDerWaalsContact O-CB 3.24Å; V2090-C2164 WeakPolarHBondContact O-CB 3.35Å; V2090-C2164 PolarHBondContact O-SG 3.16Å; V2090-V2199 HydrophobicContact CG2-CB 4.44Å; V2090-V2199 HydrophobicContact CG2-CG1 4.16Å; V2090-V2199 WeakPolarHBondContact CG2-O 3.31Å; V2090-V2199 PolarHBondContact N-O 3.01Å; V2090-G2201 WeakPolarHBondContact CG1-O 3.16Å; V2090-P2205 HydrophobicContact CB-CG 4.39Å; V2090-P2205 HydrophobicContact CG2-CG 4.06Å |
| 2091 | A | 87.4 | Confident | 84.4 | Confident | 0.8 Ų | 0.8 | 38.9 Ų | 38.9 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 160.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | C2089 V2199 P2205 F2210 | C2089-A2091 PolarHBondContact SG-O 3.24Å; C2089-A2091 VanDerWaalsContact SG-O 3.37Å; A2091-V2199 HydrophobicContact CB-CB 4.01Å; A2091-V2199 HydrophobicContact CB-CG2 4.11Å; A2091-V2199 PolarHBondContact N-O 3.17Å; A2091-V2199 PolarHBondContact O-N 3.19Å; A2091-P2205 HydrophobicContact CB-CG 3.89Å; A2091-F2210 HydrophobicContact CB-CE1 3.84Å; A2091-F2210 HydrophobicContact CB-CZ 3.59Å |
| 2092 | Y | 87.9 | Confident | 83.9 | Confident | 49 Ų | 49 | 33.9 Ų | 33.9 | 19% | 0.192 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 153.9 | 172.7 | 62.4 | -85.7 | 0 | 0 | 0 | 110.8 | W2094 I2159 C2162 L2196 L2197 | Y2092-W2094 AromaticContact CD2-CD1 3.78Å; Y2092-W2094 AromaticContact CD2-NE1 3.54Å; Y2092-W2094 AromaticContact CE2-CD1 3.82Å; Y2092-W2094 AromaticContact CE2-NE1 3.48Å; Y2092-I2159 HydrophobicContact CD1-CG2 4.16Å; Y2092-I2159 HydrophobicContact CD2-CG2 4.28Å; Y2092-I2159 HydrophobicContact CE1-CG2 3.75Å; Y2092-I2159 HydrophobicContact CE2-CG2 3.88Å; Y2092-I2159 HydrophobicContact CG-CG2 4.42Å; Y2092-C2162 HydrophobicContact CD1-CB 4.15Å; Y2092-C2162 HydrophobicContact CE1-CB 4.08Å; Y2092-L2196 HydrophobicContact CD2-CD1 4.14Å; Y2092-L2196 HydrophobicContact CG-CD1 4.49Å; Y2092-L2197 CarbonylContact C-O 3.53Å; Y2092-L2197 WeakPolarHBondContact CA-O 3.26Å |
| 2093 | R | 85.2 | Confident | 83.2 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 27% | 0.268 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 131.7 | 175.2 | -167.3 | 71.8 | 175.7 | 170.5 | 4.6 | 110.3 | F2095 D2169 L2197 F2214 | R2093-F2095 HydrophobicContact CB-CE2 4.04Å; R2093-F2095 HydrophobicContact CB-CZ 4.11Å; R2093-F2095 HydrophobicContact CG-CE1 4.05Å; R2093-F2095 HydrophobicContact CG-CE2 4.03Å; R2093-F2095 HydrophobicContact CG-CZ 3.71Å; R2093-D2169 IonicContact CZ-OD2 3.01Å; R2093-D2169 IonicContact NH1-OD1 3.28Å; R2093-D2169 IonicContact NH1-OD2 3.11Å; R2093-D2169 PolarHBondContact NH1-OD2 3.16Å; R2093-D2169 IonicContact NH2-OD1 3.9Å; R2093-D2169 IonicContact NH2-OD2 3.33Å; R2093-D2169 PolarHBondContact NH2-OD2 3.23Å; R2093-L2197 PolarHBondContact N-O 3.23Å; R2093-L2197 PolarHBondContact O-N 3.21Å; R2093-F2214 HydrophobicContact CB-CD1 3.86Å; R2093-F2214 HydrophobicContact CB-CD2 3.86Å; R2093-F2214 HydrophobicContact CB-CE1 3.82Å; R2093-F2214 HydrophobicContact CB-CE2 3.82Å; R2093-F2214 HydrophobicContact CB-CG 3.89Å; R2093-F2214 HydrophobicContact CB-CZ 3.79Å; R2093-F2214 HydrophobicContact CG-CB 4.18Å; R2093-F2214 HydrophobicContact CG-CD1 4.25Å; R2093-F2214 HydrophobicContact CG-CD2 4.03Å; R2093-F2214 HydrophobicContact CG-CE2 4.47Å; R2093-F2214 HydrophobicContact CG-CG 3.91Å |
| 2094 | W | 82.6 | Confident | 81.9 | Confident | 31.6 Ų | 31.6 | 37.6 Ų | 37.6 | 12% | 0.12 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.4 | 173.3 | -66.4 | 93.7 | 0 | 0 | 0 | 109.7 | Y2092 I2151 I2159 L2177 L2181 V2190 F2194 L2196 | Y2092-W2094 AromaticContact CD2-CD1 3.78Å; Y2092-W2094 AromaticContact CD2-NE1 3.54Å; Y2092-W2094 AromaticContact CE2-CD1 3.82Å; Y2092-W2094 AromaticContact CE2-NE1 3.48Å; W2094-I2151 HydrophobicContact CH2-CD1 3.9Å; W2094-I2151 HydrophobicContact CH2-CG1 4.29Å; W2094-I2151 HydrophobicContact CH2-CG2 4.22Å; W2094-I2151 HydrophobicContact CZ3-CD1 3.46Å; W2094-I2151 VanDerWaalsContact CZ3-CD1 3.46Å; W2094-I2151 HydrophobicContact CZ3-CG1 4.17Å; W2094-I2159 HydrophobicContact CH2-CD1 4.2Å; W2094-I2159 HydrophobicContact CZ2-CD1 3.47Å; W2094-I2159 VanDerWaalsContact CZ2-CD1 3.5Å; W2094-L2177 HydrophobicContact CB-CD1 3.84Å; W2094-L2177 HydrophobicContact CD2-CD1 4.3Å; W2094-L2177 HydrophobicContact CD2-CD2 4.06Å; W2094-L2177 HydrophobicContact CG-CD1 3.95Å; W2094-L2177 HydrophobicContact CG-CD2 3.92Å; W2094-L2177 HydrophobicContact CG-CG 4.5Å; W2094-L2177 HydrophobicContact CZ2-CD2 4.43Å; W2094-L2181 HydrophobicContact CZ2-CD2 4.15Å; W2094-V2190 HydrophobicContact CH2-CG1 4.44Å; W2094-V2190 HydrophobicContact CZ3-CG1 4.23Å; W2094-F2194 HydrophobicContact CE3-CB 3.73Å; W2094-F2194 HydrophobicContact CE3-CG 4.34Å; W2094-F2194 HydrophobicContact CZ3-CB 4.08Å; W2094-L2196 HydrophobicContact CD2-CB 4.41Å; W2094-L2196 HydrophobicContact CD2-CD1 3.75Å; W2094-L2196 HydrophobicContact CE3-CB 3.92Å; W2094-L2196 HydrophobicContact CE3-CD1 4.13Å; W2094-L2196 HydrophobicContact CE3-CG 4.48Å; W2094-L2196 HydrophobicContact CG-CD1 4.17Å; W2094-L2196 HydrophobicContact CH2-CB 4.25Å; W2094-L2196 HydrophobicContact CH2-CD1 4.38Å; W2094-L2196 HydrophobicContact CH2-CD2 4.11Å; W2094-L2196 HydrophobicContact CH2-CG 4.47Å; W2094-L2196 HydrophobicContact CZ2-CD1 4Å; W2094-L2196 HydrophobicContact CZ2-CD2 4.18Å; W2094-L2196 HydrophobicContact CZ2-CG 4.48Å; W2094-L2196 HydrophobicContact CZ3-CB 3.85Å; W2094-L2196 HydrophobicContact CZ3-CD1 4.38Å; W2094-L2196 HydrophobicContact CZ3-CD2 4.41Å; W2094-L2196 HydrophobicContact CZ3-CG 4.41Å |
| 2095 | F | 82.7 | Confident | 80.3 | Confident | 0.6 Ų | 0.6 | 34.9 Ų | 34.9 | 0% | 0.003 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.2 | 174.1 | -62.2 | -79.3 | 0 | 0 | 0 | 109 | R2093 I2097 F2194 V2195 L2197 F2214 L2217 Q2218 I2221 | R2093-F2095 HydrophobicContact CB-CE2 4.04Å; R2093-F2095 HydrophobicContact CB-CZ 4.11Å; R2093-F2095 HydrophobicContact CG-CE1 4.05Å; R2093-F2095 HydrophobicContact CG-CE2 4.03Å; R2093-F2095 HydrophobicContact CG-CZ 3.71Å; F2095-I2097 PolarHBondContact O-N 3.13Å; F2095-F2194 CarbonylContact O-C 3.57Å; F2095-F2194 WeakPolarHBondContact O-CA 3.36Å; F2095-V2195 PolarHBondContact N-O 3.1Å; F2095-V2195 PolarHBondContact O-N 3.04Å; F2095-L2197 HydrophobicContact CD2-CB 4.45Å; F2095-L2197 HydrophobicContact CE2-CB 3.86Å; F2095-L2197 HydrophobicContact CE2-CD2 4.2Å; F2095-F2214 HydrophobicContact CZ-CD1 4.48Å; F2095-L2217 HydrophobicContact CE1-CB 3.89Å; F2095-L2217 HydrophobicContact CE2-CD1 4.25Å; F2095-L2217 HydrophobicContact CZ-CB 3.75Å; F2095-L2217 HydrophobicContact CZ-CD1 3.83Å; F2095-L2217 HydrophobicContact CZ-CG 4.47Å; F2095-Q2218 HydrophobicContact CE1-CB 4.37Å; F2095-I2221 HydrophobicContact CB-CD1 3.89Å; F2095-I2221 HydrophobicContact CD1-CD1 3.59Å; F2095-I2221 HydrophobicContact CE1-CD1 4.34Å; F2095-I2221 HydrophobicContact CG-CD1 3.87Å |
| 2096 | R | 77.7 | Confident | 78.4 | Confident | 72.4 Ų | 72.4 | 43.5 Ų | 43.5 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.3 | 177.7 | -170.3 | 177 | -177.4 | 144 | 2.1 | 110 | H2098 E2176 F2194 E2244 | R2096-H2098 PolarHBondContact O-N 3.13Å; R2096-E2176 IonicContact CZ-OE2 3.44Å; R2096-E2176 IonicContact NH1-OE1 3.28Å; R2096-E2176 IonicContact NH1-OE2 3.02Å; R2096-E2176 PolarHBondContact NH1-OE2 3.23Å; R2096-E2176 IonicContact NH2-OE1 2.79Å; R2096-E2176 IonicContact NH2-OE2 2.77Å; R2096-F2194 HydrophobicContact CB-CD1 3.96Å; R2096-F2194 HydrophobicContact CB-CE1 3.78Å; R2096-F2194 HydrophobicContact CG-CD1 4.26Å; R2096-F2194 HydrophobicContact CG-CE1 3.83Å; R2096-F2194 HydrophobicContact CG-CZ 4.26Å; R2096-E2244 IonicContact CZ-OE1 2.84Å; R2096-E2244 IonicContact CZ-OE2 2.75Å; R2096-E2244 IonicContact NH1-OE1 2.91Å; R2096-E2244 IonicContact NH1-OE2 3.32Å; R2096-E2244 VanDerWaalsContact NH2-CD 3.28Å; R2096-E2244 IonicContact NH2-OE1 2.82Å; R2096-E2244 PolarHBondContact NH2-OE1 2.91Å; R2096-E2244 IonicContact NH2-OE2 3.52Å |
| 2097 | I | 77.8 | Confident | 76.5 | Confident | 17.6 Ų | 17.6 | 53.1 Ų | 53.1 | 9% | 0.09 | 25% | 0.251 | C | S | . | . | trans | -79.1 | 108.2 | 176.8 | -58.4 | 173 | 0 | 0 | 0 | 108.6 | F2095 K2102 V2113 E2193 V2195 | F2095-I2097 PolarHBondContact O-N 3.13Å; I2097-K2102 HydrophobicContact CG2-CD 4.16Å; I2097-K2102 HydrophobicContact CG2-CG 3.53Å; I2097-K2102 VanDerWaalsContact CG2-CG 3.49Å; I2097-K2102 WeakPolarHBondContact O-CE 3.38Å; I2097-V2113 HydrophobicContact CB-CG2 4.39Å; I2097-V2113 HydrophobicContact CG1-CG2 4.41Å; I2097-V2113 HydrophobicContact CG2-CG2 3.84Å; I2097-E2193 WeakPolarHBondContact CB-O 3.31Å; I2097-E2193 PolarHBondContact N-O 3.25Å; I2097-V2195 HydrophobicContact CD1-CG2 3.59Å; I2097-V2195 HydrophobicContact CG1-CG2 3.67Å | ||
| 2098 | H | 82.5 | Confident | 74.5 | Confident | 15.4 Ų | 15.4 | 57.3 Ų | 57.3 | 7% | 0.071 | 28% | 0.277 | C | S | . | . | trans | -64.9 | 134.9 | 175.6 | -167.3 | -89.5 | 0 | 0 | 0 | 111.2 | R2096 R2100 L2101 I2225 E2244 D2245 | R2096-H2098 PolarHBondContact O-N 3.13Å; H2098-R2100 VanDerWaalsContact CE1-CG 3.46Å; H2098-R2100 WeakPolarHBondContact CE1-CG 3.4Å; H2098-R2100 WeakPolarHBondContact ND1-CB 3.39Å; H2098-R2100 PolarHBondContact ND1-N 3.2Å; H2098-R2100 PolarHBondContact O-N 3.35Å; H2098-R2100 VanDerWaalsContact O-N 3.09Å; H2098-L2101 PolarHBondContact O-N 2.93Å; H2098-I2225 HydrophobicContact CB-CD1 3.53Å; H2098-I2225 HydrophobicContact CB-CG1 3.85Å; H2098-E2244 VanDerWaalsContact NE2-C 3.25Å; H2098-E2244 WeakPolarHBondContact NE2-CB 3.36Å; H2098-E2244 PolarHBondContact NE2-O 3.07Å; H2098-D2245 IonicContact CE1-OD1 2.87Å; H2098-D2245 PolarHBondContact CE1-OD1 2.99Å; H2098-D2245 PolarHBondContact NE2-N 3.01Å; H2098-D2245 IonicContact NE2-OD1 3.45Å | ||
| 2099 | P | 79.2 | Confident | 72.8 | Confident | 42.4 Ų | 42.4 | 57.2 Ų | 57.2 | 28% | 0.275 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -53.6 | -34.1 | -176 | -28.1 | 34.6 | 0 | 0 | 0 | 114.7 | L2101 K2102 Q2103 E2244 | P2099-L2101 VanDerWaalsContact C-N 3.25Å; P2099-L2101 PolarHBondContact O-N 3.23Å; P2099-K2102 WeakPolarHBondContact O-CB 3.38Å; P2099-K2102 PolarHBondContact O-N 3.31Å; P2099-K2102 VanDerWaalsContact O-N 3.08Å; P2099-Q2103 PolarHBondContact O-N 2.96Å; P2099-E2244 HydrophobicContact CG-CB 4.27Å; P2099-E2244 HydrophobicContact CG-CG 4.02Å |
| 2100 | R | 82.7 | Confident | 71.2 | Confident | 30.8 Ų | 30.8 | 60 Ų | 60 | 12% | 0.116 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -28.7 | 176.7 | -62.6 | -67.2 | -178.4 | -177.9 | 1.8 | 113.8 | H2098 V2228 L2229 R2240 D2245 | H2098-R2100 VanDerWaalsContact CE1-CG 3.46Å; H2098-R2100 WeakPolarHBondContact CE1-CG 3.4Å; H2098-R2100 WeakPolarHBondContact ND1-CB 3.39Å; H2098-R2100 PolarHBondContact ND1-N 3.2Å; H2098-R2100 PolarHBondContact O-N 3.35Å; H2098-R2100 VanDerWaalsContact O-N 3.09Å; R2100-V2228 HydrophobicContact CB-CG1 3.91Å; R2100-L2229 HydrophobicContact CG-CD2 4.15Å; R2100-R2240 PolarHBondContact NH2-O 3.26Å; R2100-R2240 VanDerWaalsContact NH2-O 3.07Å; R2100-D2245 VanDerWaalsContact CG-OD1 3.24Å; R2100-D2245 WeakPolarHBondContact CG-OD1 3.43Å; R2100-D2245 IonicContact CZ-OD1 3.49Å; R2100-D2245 IonicContact CZ-OD2 3.38Å; R2100-D2245 IonicContact NE-OD1 3.34Å; R2100-D2245 PolarHBondContact NE-OD1 3.07Å; R2100-D2245 VanDerWaalsContact NE-OD1 3.07Å; R2100-D2245 IonicContact NE-OD2 3.43Å; R2100-D2245 PolarHBondContact NE-OD2 3.08Å; R2100-D2245 IonicContact NH2-OD1 3.54Å; R2100-D2245 IonicContact NH2-OD2 2.97Å; R2100-D2245 PolarHBondContact NH2-OD2 3.1Å |
| 2101 | L | 79.1 | Confident | 70.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -84.6 | -12.8 | 176.7 | -62 | -178.3 | 0 | 0 | 0 | 112.9 | H2098 P2099 L2112 V2113 I2221 S2224 I2225 V2228 | H2098-L2101 PolarHBondContact O-N 2.93Å; P2099-L2101 VanDerWaalsContact C-N 3.25Å; P2099-L2101 PolarHBondContact O-N 3.23Å; L2101-L2112 HydrophobicContact CB-CB 4.17Å; L2101-L2112 HydrophobicContact CD2-CB 3.81Å; L2101-L2112 HydrophobicContact CD2-CD1 4.2Å; L2101-L2112 HydrophobicContact CG-CB 4.47Å; L2101-L2112 PolarHBondContact O-N 3.12Å; L2101-V2113 HydrophobicContact CB-CG2 3.58Å; L2101-V2113 HydrophobicContact CD1-CB 4.44Å; L2101-V2113 HydrophobicContact CD1-CG2 3.39Å; L2101-V2113 VanDerWaalsContact CD1-CG2 3.45Å; L2101-V2113 HydrophobicContact CG-CG2 4.12Å; L2101-I2221 HydrophobicContact CD1-CG2 4.26Å; L2101-S2224 WeakPolarHBondContact CD1-OG 3.44Å; L2101-I2225 HydrophobicContact CD1-CD1 4.38Å; L2101-I2225 HydrophobicContact CD1-CG1 3.5Å; L2101-I2225 VanDerWaalsContact CD1-CG1 3.49Å; L2101-I2225 HydrophobicContact CD2-CG1 4.49Å; L2101-I2225 HydrophobicContact CG-CG1 3.95Å; L2101-V2228 HydrophobicContact CD2-CB 4.39Å; L2101-V2228 HydrophobicContact CD2-CG2 3.76Å |
| 2102 | K | 72.1 | Confident | 69 | Low | 69.4 Ų | 69.4 | 63.7 Ų | 63.7 | 30% | 0.302 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -77.4 | -40.9 | 173.7 | -57.5 | -174.3 | -170.4 | -175.8 | 0 | 112.2 | I2097 P2099 G2104 A2105 N2192 | I2097-K2102 HydrophobicContact CG2-CD 4.16Å; I2097-K2102 HydrophobicContact CG2-CG 3.53Å; I2097-K2102 VanDerWaalsContact CG2-CG 3.49Å; I2097-K2102 WeakPolarHBondContact O-CE 3.38Å; P2099-K2102 WeakPolarHBondContact O-CB 3.38Å; P2099-K2102 PolarHBondContact O-N 3.31Å; P2099-K2102 VanDerWaalsContact O-N 3.08Å; K2102-G2104 PolarHBondContact O-N 3.11Å; K2102-G2104 VanDerWaalsContact O-N 3.09Å; K2102-A2105 VanDerWaalsContact O-CB 3.22Å; K2102-A2105 WeakPolarHBondContact O-CB 3.35Å; K2102-A2105 PolarHBondContact O-N 3.31Å; K2102-N2192 WeakPolarHBondContact CE-O 3.32Å; K2102-N2192 PolarHBondContact NZ-O 3.15Å |
| 2103 | Q | 62.7 | Low | 68.1 | Low | 131.2 Ų | 131.2 | 61.3 Ų | 61.3 | 61% | 0.613 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.5 | -174.6 | -69.4 | 178.6 | -6.8 | 0 | 0 | 114 | P2099 A2105 | P2099-Q2103 PolarHBondContact O-N 2.96Å; Q2103-A2105 VanDerWaalsContact C-N 3.34Å |
| 2104 | G | 55.9 | Low | 67.3 | Low | 24.4 Ų | 24.4 | 58.7 Ų | 58.7 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -21.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K2102 E2106 R2107 T2108 | K2102-G2104 PolarHBondContact O-N 3.11Å; K2102-G2104 VanDerWaalsContact O-N 3.09Å; G2104-E2106 VanDerWaalsContact C-N 3.3Å; G2104-E2106 PolarHBondContact O-N 3.04Å; G2104-R2107 PolarHBondContact O-N 3.02Å; G2104-T2108 PolarHBondContact O-OG1 3.16Å |
| 2105 | A | 52.3 | Low | 66.8 | Low | 31 Ų | 31 | 58.9 Ų | 58.9 | 26% | 0.256 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.3 | -30.5 | -172 | 0 | 0 | 0 | 0 | 0 | 113.1 | K2102 Q2103 R2107 T2108 G2109 | K2102-A2105 VanDerWaalsContact O-CB 3.22Å; K2102-A2105 WeakPolarHBondContact O-CB 3.35Å; K2102-A2105 PolarHBondContact O-N 3.31Å; Q2103-A2105 VanDerWaalsContact C-N 3.34Å; A2105-R2107 PolarHBondContact O-N 3.14Å; A2105-R2107 VanDerWaalsContact O-N 3.12Å; A2105-T2108 PolarHBondContact O-N 3.02Å; A2105-G2109 WeakPolarHBondContact O-CA 3.3Å; A2105-G2109 PolarHBondContact O-N 2.8Å |
| 2106 | E | 52.4 | Low | 66.3 | Low | 184.6 Ų | 184.6 | 59.2 Ų | 59.2 | 86% | 0.863 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60 | -26.8 | -178.6 | -67.2 | -177.6 | 179.3 | 0 | 0 | 113.2 | G2104 | G2104-E2106 VanDerWaalsContact C-N 3.3Å; G2104-E2106 PolarHBondContact O-N 3.04Å |
| 2107 | R | 48.1 | Very low | 66.3 | Low | 238.6 Ų | 238.6 | 55.8 Ų | 55.8 | 90% | 0.9 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -96.1 | -31.1 | -177.6 | -74.3 | -177.1 | 164 | 172.1 | -3.9 | 114.4 | G2104 A2105 | G2104-R2107 PolarHBondContact O-N 3.02Å; A2105-R2107 PolarHBondContact O-N 3.14Å; A2105-R2107 VanDerWaalsContact O-N 3.12Å |
| 2108 | T | 49.7 | Very low | 66.3 | Low | 93.4 Ų | 93.4 | 58.2 Ų | 58.2 | 57% | 0.573 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -111.9 | -6.9 | -173.5 | 46.2 | 0 | 0 | 0 | 0 | 113.8 | G2104 A2105 T2110 | G2104-T2108 PolarHBondContact O-OG1 3.16Å; A2105-T2108 PolarHBondContact O-N 3.02Å; T2108-T2110 PolarHBondContact O-N 3.04Å; T2108-T2110 VanDerWaalsContact O-N 3.12Å; T2108-T2110 PolarHBondContact O-OG1 3.21Å; T2108-T2110 PolarHBondContact OG1-O 3.17Å |
| 2109 | G | 52.9 | Low | 66.1 | Low | 71.2 Ų | 71.2 | 60.9 Ų | 60.9 | 73% | 0.734 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 72.4 | -8.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A2105 | A2105-G2109 WeakPolarHBondContact O-CA 3.3Å; A2105-G2109 PolarHBondContact O-N 2.8Å |
| 2110 | T | 55.7 | Low | 66 | Low | 68.2 Ų | 68.2 | 60.7 Ų | 60.7 | 42% | 0.418 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -122.6 | 132.6 | 178.9 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | T2108 L2112 | T2108-T2110 PolarHBondContact O-N 3.04Å; T2108-T2110 VanDerWaalsContact O-N 3.12Å; T2108-T2110 PolarHBondContact O-OG1 3.21Å; T2108-T2110 PolarHBondContact OG1-O 3.17Å; T2110-L2112 PolarHBondContact O-N 3.1Å |
| 2111 | S | 64.4 | Low | 66.1 | Low | 20.4 Ų | 20.4 | 59.3 Ų | 59.3 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | trans | -61.2 | 138.8 | 173.2 | 117.8 | 0 | 0 | 0 | 0 | 110.5 | V2113 L2114 G2115 | S2111-V2113 PolarHBondContact O-N 2.95Å; S2111-V2113 VanDerWaalsContact O-N 3.14Å; S2111-V2113 PolarHBondContact OG-N 3.24Å; S2111-L2114 WeakPolarHBondContact O-CB 3.38Å; S2111-L2114 PolarHBondContact O-N 3.28Å; S2111-L2114 WeakPolarHBondContact OG-CD1 3.18Å; S2111-L2114 WeakPolarHBondContact OG-CG 3.41Å; S2111-L2114 PolarHBondContact OG-N 3.16Å; S2111-G2115 PolarHBondContact O-N 3.2Å | ||
| 2112 | L | 66.1 | Low | 66.3 | Low | 73.6 Ų | 73.6 | 63.9 Ų | 63.9 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.6 | -27.2 | 178.5 | -72.1 | 167.5 | 0 | 0 | 0 | 111.9 | L2101 T2110 L2114 G2115 A2116 V2228 | L2101-L2112 HydrophobicContact CB-CB 4.17Å; L2101-L2112 HydrophobicContact CD2-CB 3.81Å; L2101-L2112 HydrophobicContact CD2-CD1 4.2Å; L2101-L2112 HydrophobicContact CG-CB 4.47Å; L2101-L2112 PolarHBondContact O-N 3.12Å; T2110-L2112 PolarHBondContact O-N 3.1Å; L2112-L2114 VanDerWaalsContact C-N 3.35Å; L2112-G2115 PolarHBondContact O-N 2.98Å; L2112-A2116 PolarHBondContact O-N 3.17Å; L2112-V2228 HydrophobicContact CD1-CG2 3.96Å |
| 2113 | V | 68.5 | Low | 66.9 | Low | 0.4 Ų | 0.4 | 68.4 Ų | 68.4 | 0% | 0.002 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 172.3 | 179.2 | 0 | 0 | 0 | 0 | 111 | I2097 L2101 S2111 G2115 A2116 V2117 V2195 I2221 | I2097-V2113 HydrophobicContact CB-CG2 4.39Å; I2097-V2113 HydrophobicContact CG1-CG2 4.41Å; I2097-V2113 HydrophobicContact CG2-CG2 3.84Å; L2101-V2113 HydrophobicContact CB-CG2 3.58Å; L2101-V2113 HydrophobicContact CD1-CB 4.44Å; L2101-V2113 HydrophobicContact CD1-CG2 3.39Å; L2101-V2113 VanDerWaalsContact CD1-CG2 3.45Å; L2101-V2113 HydrophobicContact CG-CG2 4.12Å; S2111-V2113 PolarHBondContact O-N 2.95Å; S2111-V2113 VanDerWaalsContact O-N 3.14Å; S2111-V2113 PolarHBondContact OG-N 3.24Å; V2113-G2115 VanDerWaalsContact C-N 3.31Å; V2113-G2115 PolarHBondContact O-N 3.24Å; V2113-A2116 WeakPolarHBondContact O-CB 3.38Å; V2113-A2116 PolarHBondContact O-N 3.07Å; V2113-A2116 VanDerWaalsContact O-N 3.16Å; V2113-V2117 HydrophobicContact CG1-CG2 4.12Å; V2113-V2117 WeakPolarHBondContact O-CB 3.27Å; V2113-V2117 WeakPolarHBondContact O-CG2 3.37Å; V2113-V2117 PolarHBondContact O-N 3.15Å; V2113-V2195 HydrophobicContact CG1-CG2 4.19Å; V2113-I2221 HydrophobicContact CG1-CD1 4.34Å; V2113-I2221 HydrophobicContact CG1-CG1 4.4Å |
| 2114 | L | 68 | Low | 68 | Low | 15.2 Ų | 15.2 | 64.3 Ų | 64.3 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | -179.5 | -68.9 | 168.9 | 0 | 0 | 0 | 110.7 | S2111 L2112 A2116 V2117 R2118 L2147 E2149 V2195 | S2111-L2114 WeakPolarHBondContact O-CB 3.38Å; S2111-L2114 PolarHBondContact O-N 3.28Å; S2111-L2114 WeakPolarHBondContact OG-CD1 3.18Å; S2111-L2114 WeakPolarHBondContact OG-CG 3.41Å; S2111-L2114 PolarHBondContact OG-N 3.16Å; L2112-L2114 VanDerWaalsContact C-N 3.35Å; L2114-A2116 VanDerWaalsContact C-N 3.34Å; L2114-A2116 PolarHBondContact O-N 2.89Å; L2114-V2117 PolarHBondContact O-N 3.01Å; L2114-R2118 WeakPolarHBondContact O-CB 3.37Å; L2114-R2118 WeakPolarHBondContact O-CG 3.32Å; L2114-R2118 PolarHBondContact O-N 3.12Å; L2114-L2147 HydrophobicContact CD2-CD2 3.84Å; L2114-L2147 HydrophobicContact CD2-CG 4.4Å; L2114-E2149 HydrophobicContact CD1-CG 4.28Å; L2114-E2149 WeakPolarHBondContact CD1-OE1 3.45Å; L2114-E2149 WeakPolarHBondContact CD1-OE2 3.29Å; L2114-E2149 HydrophobicContact CD2-CG 3.84Å; L2114-E2149 VanDerWaalsContact CD2-OE1 3.22Å; L2114-E2149 WeakPolarHBondContact CD2-OE1 3.35Å; L2114-V2195 HydrophobicContact CD2-CG1 4.33Å; L2114-V2195 HydrophobicContact CD2-CG2 4.46Å |
| 2115 | G | 72.1 | Confident | 69.4 | Low | 36.8 Ų | 36.8 | 64.6 Ų | 64.6 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.5 | -48.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | S2111 L2112 V2113 T2119 | S2111-G2115 PolarHBondContact O-N 3.2Å; L2112-G2115 PolarHBondContact O-N 2.98Å; V2113-G2115 VanDerWaalsContact C-N 3.31Å; V2113-G2115 PolarHBondContact O-N 3.24Å; G2115-T2119 WeakPolarHBondContact O-CG2 3.19Å; G2115-T2119 PolarHBondContact O-N 3.2Å; G2115-T2119 PolarHBondContact O-OG1 2.96Å |
| 2116 | A | 72.3 | Confident | 71 | Confident | 5.8 Ų | 5.8 | 63.4 Ų | 63.4 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -48.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2112 V2113 L2114 T2119 R2220 S2224 | L2112-A2116 PolarHBondContact O-N 3.17Å; V2113-A2116 WeakPolarHBondContact O-CB 3.38Å; V2113-A2116 PolarHBondContact O-N 3.07Å; V2113-A2116 VanDerWaalsContact O-N 3.16Å; L2114-A2116 VanDerWaalsContact C-N 3.34Å; L2114-A2116 PolarHBondContact O-N 2.89Å; A2116-T2119 WeakPolarHBondContact O-CB 3.27Å; A2116-T2119 PolarHBondContact O-N 3.26Å; A2116-T2119 PolarHBondContact O-OG1 3.34Å; A2116-R2220 HydrophobicContact CB-CG 4.32Å; A2116-R2220 WeakPolarHBondContact O-CG 3.23Å; A2116-S2224 VanDerWaalsContact CB-OG 3.24Å; A2116-S2224 WeakPolarHBondContact CB-OG 3.3Å |
| 2117 | V | 77.8 | Confident | 72.2 | Confident | 0.8 Ų | 0.8 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 178.8 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | V2113 L2114 T2119 I2120 L2121 L2147 L2217 I2221 | V2113-V2117 HydrophobicContact CG1-CG2 4.12Å; V2113-V2117 WeakPolarHBondContact O-CB 3.27Å; V2113-V2117 WeakPolarHBondContact O-CG2 3.37Å; V2113-V2117 PolarHBondContact O-N 3.15Å; L2114-V2117 PolarHBondContact O-N 3.01Å; V2117-T2119 PolarHBondContact O-N 3.19Å; V2117-I2120 PolarHBondContact O-N 3.02Å; V2117-I2120 VanDerWaalsContact O-N 3.14Å; V2117-L2121 HydrophobicContact CG1-CD1 3.46Å; V2117-L2121 VanDerWaalsContact CG1-CD1 3.46Å; V2117-L2121 HydrophobicContact CG1-CG 3.95Å; V2117-L2121 WeakPolarHBondContact O-CG 3.34Å; V2117-L2121 PolarHBondContact O-N 3.09Å; V2117-L2147 HydrophobicContact CG1-CD1 4.02Å; V2117-L2147 HydrophobicContact CG1-CD2 4.25Å; V2117-L2217 HydrophobicContact CG1-CD2 4.33Å; V2117-I2221 HydrophobicContact CG2-CD1 3.7Å; V2117-I2221 HydrophobicContact CG2-CG1 3.82Å |
| 2118 | R | 77 | Confident | 73.8 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 26% | 0.26 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61 | -31 | 176.6 | -70.6 | 177.7 | -174.3 | -171.3 | 2.9 | 111.8 | L2114 I2120 L2121 N2122 L2147 E2149 | L2114-R2118 WeakPolarHBondContact O-CB 3.37Å; L2114-R2118 WeakPolarHBondContact O-CG 3.32Å; L2114-R2118 PolarHBondContact O-N 3.12Å; R2118-I2120 VanDerWaalsContact C-N 3.26Å; R2118-I2120 PolarHBondContact O-N 3.2Å; R2118-L2121 PolarHBondContact O-N 3.06Å; R2118-N2122 WeakPolarHBondContact O-CA 3.16Å; R2118-N2122 WeakPolarHBondContact O-CB 3.32Å; R2118-N2122 PolarHBondContact O-N 3.14Å; R2118-N2122 PolarHBondContact O-ND2 3.03Å; R2118-N2122 PolarHBondContact O-OD1 3.16Å; R2118-L2147 HydrophobicContact CG-CD2 4.45Å; R2118-E2149 IonicContact CZ-OE1 3.52Å; R2118-E2149 IonicContact NE-OE1 3.5Å; R2118-E2149 IonicContact NH2-OE1 3.56Å; R2118-E2149 PolarHBondContact NH2-OE1 3.35Å |
| 2119 | T | 78.5 | Confident | 75.1 | Confident | 71.6 Ų | 71.6 | 51 Ų | 51 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.3 | -37.5 | 176.4 | -11.8 | 0 | 0 | 0 | 0 | 112.8 | G2115 A2116 V2117 R2220 | G2115-T2119 WeakPolarHBondContact O-CG2 3.19Å; G2115-T2119 PolarHBondContact O-N 3.2Å; G2115-T2119 PolarHBondContact O-OG1 2.96Å; A2116-T2119 WeakPolarHBondContact O-CB 3.27Å; A2116-T2119 PolarHBondContact O-N 3.26Å; A2116-T2119 PolarHBondContact O-OG1 3.34Å; V2117-T2119 PolarHBondContact O-N 3.19Å; T2119-R2220 PolarHBondContact OG1-NE 3.28Å |
| 2120 | I | 78.3 | Confident | 75.9 | Confident | 38.8 Ų | 38.8 | 55.4 Ų | 55.4 | 20% | 0.199 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -80.7 | -46.9 | 174.7 | -67 | 175.2 | 0 | 0 | 0 | 110.4 | V2117 R2118 N2122 K2123 F2213 A2216 L2217 R2220 | V2117-I2120 PolarHBondContact O-N 3.02Å; V2117-I2120 VanDerWaalsContact O-N 3.14Å; R2118-I2120 VanDerWaalsContact C-N 3.26Å; R2118-I2120 PolarHBondContact O-N 3.2Å; I2120-N2122 VanDerWaalsContact C-N 3.27Å; I2120-N2122 PolarHBondContact O-N 3.27Å; I2120-K2123 PolarHBondContact O-N 2.98Å; I2120-F2213 HydrophobicContact CG2-CE2 4.46Å; I2120-A2216 WeakPolarHBondContact CD1-O 3.39Å; I2120-L2217 HydrophobicContact CB-CD2 3.77Å; I2120-L2217 HydrophobicContact CD1-CD2 4.02Å; I2120-L2217 HydrophobicContact CG1-CD2 4.45Å; I2120-L2217 HydrophobicContact CG2-CD2 3.76Å; I2120-R2220 HydrophobicContact CD1-CB 3.39Å; I2120-R2220 VanDerWaalsContact CD1-CB 3.41Å; I2120-R2220 HydrophobicContact CD1-CG 3.73Å; I2120-R2220 HydrophobicContact CG1-CB 4.37Å; I2120-R2220 HydrophobicContact CG1-CG 4.18Å |
| 2121 | L | 83.2 | Confident | 77.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -26 | -175.3 | -64.6 | -174.6 | 0 | 0 | 0 | 113.2 | V2117 R2118 K2123 F2124 A2125 F2133 L2147 L2197 F2213 L2217 | V2117-L2121 HydrophobicContact CG1-CD1 3.46Å; V2117-L2121 VanDerWaalsContact CG1-CD1 3.46Å; V2117-L2121 HydrophobicContact CG1-CG 3.95Å; V2117-L2121 WeakPolarHBondContact O-CG 3.34Å; V2117-L2121 PolarHBondContact O-N 3.09Å; R2118-L2121 PolarHBondContact O-N 3.06Å; L2121-K2123 PolarHBondContact O-N 3.2Å; L2121-K2123 VanDerWaalsContact O-N 3.11Å; L2121-F2124 CarbonylContact O-C 3.53Å; L2121-F2124 VanDerWaalsContact O-CA 3.3Å; L2121-F2124 WeakPolarHBondContact O-CA 3.42Å; L2121-F2124 WeakPolarHBondContact O-CB 3.38Å; L2121-F2124 PolarHBondContact O-N 2.93Å; L2121-A2125 PolarHBondContact O-N 3.11Å; L2121-A2125 VanDerWaalsContact O-N 3.16Å; L2121-F2133 HydrophobicContact CB-CD1 3.58Å; L2121-F2133 HydrophobicContact CB-CD2 4.19Å; L2121-F2133 HydrophobicContact CB-CE1 3.49Å; L2121-F2133 VanDerWaalsContact CB-CE1 3.48Å; L2121-F2133 HydrophobicContact CB-CE2 4.12Å; L2121-F2133 HydrophobicContact CB-CG 3.94Å; L2121-F2133 HydrophobicContact CB-CZ 3.77Å; L2121-F2133 HydrophobicContact CD1-CD2 3.78Å; L2121-F2133 HydrophobicContact CD1-CE1 4.45Å; L2121-F2133 HydrophobicContact CD1-CE2 3.54Å; L2121-F2133 HydrophobicContact CD1-CG 4.34Å; L2121-F2133 HydrophobicContact CD1-CZ 3.91Å; L2121-F2133 HydrophobicContact CD2-CG 4.47Å; L2121-F2133 HydrophobicContact CG-CD2 4.43Å; L2121-F2133 HydrophobicContact CG-CE2 4.43Å; L2121-F2133 HydrophobicContact CG-CG 4.48Å; L2121-F2133 HydrophobicContact CG-CZ 4.47Å; L2121-F2133 WeakPolarHBondContact O-CD1 3.37Å; L2121-L2147 HydrophobicContact CD1-CD1 4.38Å; L2121-L2147 HydrophobicContact CD1-CD2 4.47Å; L2121-L2197 HydrophobicContact CD1-CD1 4.19Å; L2121-F2213 HydrophobicContact CD2-CE1 4.14Å; L2121-F2213 HydrophobicContact CD2-CE2 4.46Å; L2121-F2213 HydrophobicContact CD2-CZ 3.5Å; L2121-F2213 VanDerWaalsContact CD2-CZ 3.48Å; L2121-L2217 HydrophobicContact CD2-CD1 4.32Å; L2121-L2217 HydrophobicContact CD2-CD2 4.17Å; L2121-L2217 HydrophobicContact CG-CD2 4.27Å |
| 2122 | N | 83.9 | Confident | 78.2 | Confident | 98 Ų | 98 | 52.7 Ų | 52.7 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -60.4 | -24.9 | -178.9 | -78.4 | -9.5 | 0 | 0 | 0 | 113.2 | R2118 I2120 F2124 A2125 | R2118-N2122 WeakPolarHBondContact O-CA 3.16Å; R2118-N2122 WeakPolarHBondContact O-CB 3.32Å; R2118-N2122 PolarHBondContact O-N 3.14Å; R2118-N2122 PolarHBondContact O-ND2 3.03Å; R2118-N2122 PolarHBondContact O-OD1 3.16Å; I2120-N2122 VanDerWaalsContact C-N 3.27Å; I2120-N2122 PolarHBondContact O-N 3.27Å; N2122-F2124 PolarHBondContact O-N 3.18Å; N2122-A2125 WeakPolarHBondContact O-CB 3.26Å; N2122-A2125 PolarHBondContact O-N 3.22Å |
| 2123 | K | 84.1 | Confident | 79.4 | Confident | 162.4 Ų | 162.4 | 49.3 Ų | 49.3 | 71% | 0.706 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -62.2 | -26.4 | 170.7 | -65.1 | -177.4 | 179.1 | -179.2 | 0 | 112.5 | R2036 I2120 L2121 | R2036-K2123 PolarHBondContact NH1-O 3.14Å; R2036-K2123 VanDerWaalsContact NH1-O 3.12Å; R2036-K2123 PolarHBondContact NH2-O 2.97Å; I2120-K2123 PolarHBondContact O-N 2.98Å; L2121-K2123 PolarHBondContact O-N 3.2Å; L2121-K2123 VanDerWaalsContact O-N 3.11Å |
| 2124 | F | 86.6 | Confident | 80.5 | Confident | 45.8 Ų | 45.8 | 49.2 Ų | 49.2 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -105.9 | 3.8 | -177.4 | -53.9 | -68.5 | 0 | 0 | 0 | 112.2 | R2036 L2121 N2122 F2133 V2134 Y2135 F2213 | R2036-F2124 VanDerWaalsContact NH1-C 3.3Å; L2121-F2124 CarbonylContact O-C 3.53Å; L2121-F2124 VanDerWaalsContact O-CA 3.3Å; L2121-F2124 WeakPolarHBondContact O-CA 3.42Å; L2121-F2124 WeakPolarHBondContact O-CB 3.38Å; L2121-F2124 PolarHBondContact O-N 2.93Å; N2122-F2124 PolarHBondContact O-N 3.18Å; F2124-F2133 HydrophobicContact CB-CB 3.9Å; F2124-F2133 CarbonylContact O-C 3.55Å; F2124-F2133 WeakPolarHBondContact O-CA 3.37Å; F2124-V2134 WeakPolarHBondContact CB-O 3.34Å; F2124-V2134 WeakPolarHBondContact CD1-O 3.4Å; F2124-V2134 PolarHBondContact O-N 3.13Å; F2124-Y2135 HydrophobicContact CD1-CD2 4.19Å; F2124-Y2135 AromaticContact CE1-CD2 3.78Å; F2124-Y2135 HydrophobicContact CE1-CD2 3.78Å; F2124-Y2135 HydrophobicContact CE1-CE2 4.35Å; F2124-Y2135 HydrophobicContact CZ-CD2 4.25Å; F2124-Y2135 HydrophobicContact CZ-CE2 4.49Å; F2124-F2213 HydrophobicContact CD2-CE2 4.16Å; F2124-F2213 HydrophobicContact CD2-CZ 4.4Å; F2124-F2213 AromaticContact CE2-CE2 3.69Å; F2124-F2213 HydrophobicContact CE2-CE2 3.69Å; F2124-F2213 HydrophobicContact CE2-CZ 4.45Å; F2124-F2213 HydrophobicContact CZ-CE2 4.32Å |
| 2125 | A | 86.2 | Confident | 81.6 | Confident | 31.8 Ų | 31.8 | 50.3 Ų | 50.3 | 26% | 0.263 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 150.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R2036 L2121 N2122 F2133 | R2036-A2125 PolarHBondContact NH1-O 3.12Å; R2036-A2125 VanDerWaalsContact NH1-O 3.11Å; L2121-A2125 PolarHBondContact O-N 3.11Å; L2121-A2125 VanDerWaalsContact O-N 3.16Å; N2122-A2125 WeakPolarHBondContact O-CB 3.26Å; N2122-A2125 PolarHBondContact O-N 3.22Å; A2125-F2133 HydrophobicContact CB-CD1 4.16Å; A2125-F2133 HydrophobicContact CB-CE1 4.23Å |
| 2126 | V | 84.9 | Confident | 82.4 | Confident | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.6 | 174 | 177 | 0 | 0 | 0 | 0 | 107.4 | L2032 R2036 C2038 N2128 H2129 V2132 V2134 | L2032-V2126 HydrophobicContact CD1-CG1 3.97Å; L2032-V2126 HydrophobicContact CD1-CG2 3.79Å; R2036-V2126 CarbonylContact O-C 3.52Å; R2036-V2126 WeakPolarHBondContact O-CA 3.25Å; R2036-V2126 WeakPolarHBondContact O-CG1 3.45Å; C2038-V2126 HydrophobicContact CB-CG1 3.59Å; V2126-N2128 WeakPolarHBondContact CG1-OD1 3.37Å; V2126-N2128 PolarHBondContact O-N 3.24Å; V2126-H2129 PolarHBondContact O-N 2.85Å; V2126-V2132 HydrophobicContact CG2-CB 4.47Å; V2126-V2132 HydrophobicContact CG2-CG1 4.02Å; V2126-V2132 WeakPolarHBondContact CG2-O 3.41Å; V2126-V2132 PolarHBondContact N-O 3.03Å; V2126-V2134 HydrophobicContact CG2-CB 4.39Å; V2126-V2134 HydrophobicContact CG2-CG1 4.4Å |
| 2127 | F | 78.6 | Confident | 83.1 | Confident | 173 Ų | 173 | 51 Ų | 51 | 76% | 0.759 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -42.8 | -170.8 | -65.7 | -61.2 | 0 | 0 | 0 | 113.6 | R2036 | R2036-F2127 HydrophobicContact CB-CD2 3.83Å; R2036-F2127 HydrophobicContact CB-CE2 3.72Å; R2036-F2127 HydrophobicContact CB-CZ 4.46Å; R2036-F2127 HydrophobicContact CG-CE2 4.49Å; R2036-F2127 PolarHBondContact O-N 3.25Å |
| 2128 | N | 81 | Confident | 83.4 | Confident | 63.6 Ų | 63.6 | 54.9 Ų | 54.9 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 1.3 | -172.3 | 71.4 | -32.8 | 0 | 0 | 0 | 114.2 | F2037 C2038 V2126 | F2037-N2128 HydrophobicContact CD2-CB 3.87Å; F2037-N2128 VanDerWaalsContact CE1-ND2 3.34Å; F2037-N2128 WeakPolarHBondContact CE1-ND2 3.28Å; F2037-N2128 HydrophobicContact CE2-CB 3.57Å; F2037-N2128 HydrophobicContact CZ-CB 4.09Å; F2037-N2128 VanDerWaalsContact CZ-ND2 3.33Å; F2037-N2128 WeakPolarHBondContact CZ-ND2 3.25Å; C2038-N2128 PolarHBondContact N-ND2 2.91Å; C2038-N2128 PolarHBondContact N-OD1 3.01Å; C2038-N2128 PolarHBondContact O-ND2 3.1Å; V2126-N2128 WeakPolarHBondContact CG1-OD1 3.37Å; V2126-N2128 PolarHBondContact O-N 3.24Å |
| 2129 | H | 76.5 | Confident | 83.8 | Confident | 19.6 Ų | 19.6 | 56.8 Ų | 56.8 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 99.4 | -179.7 | -159.9 | -57.3 | 0 | 0 | 0 | 112 | V2043 V2126 S2131 V2132 | V2043-H2129 WeakPolarHBondContact CG1-CD2 3.5Å; V2043-H2129 WeakPolarHBondContact CG1-NE2 3.38Å; V2126-H2129 PolarHBondContact O-N 2.85Å; H2129-S2131 PolarHBondContact CE1-OG 3.2Å; H2129-S2131 PolarHBondContact ND1-OG 3.02Å; H2129-S2131 PolarHBondContact O-N 2.91Å; H2129-S2131 VanDerWaalsContact O-N 3.08Å; H2129-V2132 HydrophobicContact CB-CB 4.06Å; H2129-V2132 HydrophobicContact CB-CG2 4.06Å; H2129-V2132 VanDerWaalsContact CG-CG2 3.49Å; H2129-V2132 WeakPolarHBondContact ND1-CG2 3.38Å; H2129-V2132 PolarHBondContact O-N 2.97Å |
| 2130 | Q | 70.9 | Confident | 84 | Confident | 163.6 Ų | 163.6 | 59.7 Ų | 59.7 | 76% | 0.764 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | -23.7 | -168.8 | -63.4 | -176.6 | 8 | 0 | 0 | 115.6 | ||
| 2131 | S | 79.3 | Confident | 84.5 | Confident | 31.4 Ų | 31.4 | 59 Ų | 59 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 5.4 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | H2129 F2133 R2146 L2147 | H2129-S2131 PolarHBondContact CE1-OG 3.2Å; H2129-S2131 PolarHBondContact ND1-OG 3.02Å; H2129-S2131 PolarHBondContact O-N 2.91Å; H2129-S2131 VanDerWaalsContact O-N 3.08Å; S2131-F2133 WeakPolarHBondContact O-CE2 3.16Å; S2131-R2146 WeakPolarHBondContact O-CA 3.36Å; S2131-L2147 PolarHBondContact O-N 3.1Å; S2131-L2147 VanDerWaalsContact O-N 3.08Å |
| 2132 | V | 88 | Confident | 84.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 135.6 | 178.2 | 177.4 | 0 | 0 | 0 | 0 | 109.8 | V2043 V2126 H2129 Y2144 M2145 R2146 | V2043-V2132 HydrophobicContact CG1-CG2 4.02Å; V2126-V2132 HydrophobicContact CG2-CB 4.47Å; V2126-V2132 HydrophobicContact CG2-CG1 4.02Å; V2126-V2132 WeakPolarHBondContact CG2-O 3.41Å; V2126-V2132 PolarHBondContact N-O 3.03Å; H2129-V2132 HydrophobicContact CB-CB 4.06Å; H2129-V2132 HydrophobicContact CB-CG2 4.06Å; H2129-V2132 VanDerWaalsContact CG-CG2 3.49Å; H2129-V2132 WeakPolarHBondContact ND1-CG2 3.38Å; H2129-V2132 PolarHBondContact O-N 2.97Å; V2132-Y2144 HydrophobicContact CG1-CD2 4.26Å; V2132-M2145 CarbonylContact C-O 3.5Å; V2132-M2145 VanDerWaalsContact CA-O 3.31Å; V2132-M2145 WeakPolarHBondContact CA-O 3.3Å; V2132-R2146 HydrophobicContact CG2-CG 3.93Å |
| 2133 | F | 90.8 | Very high | 85.3 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140 | -179.6 | -51.2 | -82 | 0 | 0 | 0 | 109.5 | L2121 F2124 A2125 S2131 Y2144 M2145 L2147 | L2121-F2133 HydrophobicContact CB-CD1 3.58Å; L2121-F2133 HydrophobicContact CB-CD2 4.19Å; L2121-F2133 HydrophobicContact CB-CE1 3.49Å; L2121-F2133 VanDerWaalsContact CB-CE1 3.48Å; L2121-F2133 HydrophobicContact CB-CE2 4.12Å; L2121-F2133 HydrophobicContact CB-CG 3.94Å; L2121-F2133 HydrophobicContact CB-CZ 3.77Å; L2121-F2133 HydrophobicContact CD1-CD2 3.78Å; L2121-F2133 HydrophobicContact CD1-CE1 4.45Å; L2121-F2133 HydrophobicContact CD1-CE2 3.54Å; L2121-F2133 HydrophobicContact CD1-CG 4.34Å; L2121-F2133 HydrophobicContact CD1-CZ 3.91Å; L2121-F2133 HydrophobicContact CD2-CG 4.47Å; L2121-F2133 HydrophobicContact CG-CD2 4.43Å; L2121-F2133 HydrophobicContact CG-CE2 4.43Å; L2121-F2133 HydrophobicContact CG-CG 4.48Å; L2121-F2133 HydrophobicContact CG-CZ 4.47Å; L2121-F2133 WeakPolarHBondContact O-CD1 3.37Å; F2124-F2133 HydrophobicContact CB-CB 3.9Å; F2124-F2133 CarbonylContact O-C 3.55Å; F2124-F2133 WeakPolarHBondContact O-CA 3.37Å; A2125-F2133 HydrophobicContact CB-CD1 4.16Å; A2125-F2133 HydrophobicContact CB-CE1 4.23Å; S2131-F2133 WeakPolarHBondContact O-CE2 3.16Å; F2133-Y2144 CarbonylContact O-C 3.45Å; F2133-Y2144 WeakPolarHBondContact O-CA 3.36Å; F2133-M2145 HydrophobicContact CB-CB 4.35Å; F2133-M2145 HydrophobicContact CB-CE 4.45Å; F2133-M2145 PolarHBondContact N-O 3Å; F2133-M2145 PolarHBondContact O-N 3.13Å; F2133-L2147 HydrophobicContact CE2-CB 3.96Å |
| 2134 | V | 92.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 134.9 | -179.5 | 68.4 | 0 | 0 | 0 | 0 | 111.3 | L2032 Y2033 R2036 F2124 V2126 I2142 F2143 | L2032-V2134 HydrophobicContact CD2-CB 4.14Å; L2032-V2134 HydrophobicContact CD2-CG2 3.85Å; L2032-V2134 HydrophobicContact CG-CB 4.06Å; L2032-V2134 HydrophobicContact CG-CG2 3.83Å; Y2033-V2134 HydrophobicContact CD2-CG1 4.38Å; Y2033-V2134 HydrophobicContact CD2-CG2 4Å; R2036-V2134 VanDerWaalsContact CD-CG1 3.4Å; F2124-V2134 WeakPolarHBondContact CB-O 3.34Å; F2124-V2134 WeakPolarHBondContact CD1-O 3.4Å; F2124-V2134 PolarHBondContact O-N 3.13Å; V2126-V2134 HydrophobicContact CG2-CB 4.39Å; V2126-V2134 HydrophobicContact CG2-CG1 4.4Å; V2134-I2142 HydrophobicContact CG2-CG2 3.9Å; V2134-F2143 WeakPolarHBondContact CA-O 3.32Å; V2134-F2143 WeakPolarHBondContact CG2-O 3.3Å |
| 2135 | Y | 90.6 | Very high | 86 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 148.8 | -179.6 | 178.5 | -99.7 | 0 | 0 | 0 | 110.6 | F2124 D2137 I2142 F2143 M2145 E2208 I2209 | F2124-Y2135 HydrophobicContact CD1-CD2 4.19Å; F2124-Y2135 AromaticContact CE1-CD2 3.78Å; F2124-Y2135 HydrophobicContact CE1-CD2 3.78Å; F2124-Y2135 HydrophobicContact CE1-CE2 4.35Å; F2124-Y2135 HydrophobicContact CZ-CD2 4.25Å; F2124-Y2135 HydrophobicContact CZ-CE2 4.49Å; Y2135-D2137 HydrophobicContact CE1-CB 3.99Å; Y2135-I2142 WeakPolarHBondContact O-CA 3.45Å; Y2135-F2143 HydrophobicContact CD1-CD2 4.36Å; Y2135-F2143 PolarHBondContact N-O 3.23Å; Y2135-F2143 PolarHBondContact O-N 3.04Å; Y2135-F2143 VanDerWaalsContact O-O 3.07Å; Y2135-M2145 VanDerWaalsContact CB-CE 3.42Å; Y2135-M2145 HydrophobicContact CD1-CE 4.43Å; Y2135-M2145 HydrophobicContact CD2-CE 4.34Å; Y2135-M2145 HydrophobicContact CG-CE 4.12Å; Y2135-E2208 VanDerWaalsContact CE1-OE1 3.23Å; Y2135-E2208 WeakPolarHBondContact CE1-OE1 3.43Å; Y2135-E2208 VanDerWaalsContact CZ-OE1 3.27Å; Y2135-E2208 PolarHBondContact OH-OE1 2.68Å; Y2135-E2208 PolarHBondContact OH-OE2 3.07Å; Y2135-E2208 VanDerWaalsContact OH-OE2 3.11Å; Y2135-I2209 HydrophobicContact CD1-CD1 4.09Å; Y2135-I2209 HydrophobicContact CD1-CG1 4.23Å; Y2135-I2209 HydrophobicContact CE1-CD1 4.12Å; Y2135-I2209 HydrophobicContact CE1-CG1 3.9Å |
| 2136 | K | 90.1 | Very high | 86.1 | Confident | 53 Ų | 53 | 45.9 Ų | 45.9 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.8 | 176.2 | -177.1 | -176.8 | 178.3 | -164.7 | 0 | 108 | Y2033 E2140 C2141 I2142 | Y2033-K2136 HydrophobicContact CD1-CD 4.39Å; Y2033-K2136 HydrophobicContact CD2-CB 3.99Å; Y2033-K2136 HydrophobicContact CE1-CD 3.87Å; Y2033-K2136 HydrophobicContact CE2-CB 3.49Å; Y2033-K2136 VanDerWaalsContact CE2-CB 3.48Å; Y2033-K2136 HydrophobicContact CE2-CD 4.25Å; K2136-E2140 VanDerWaalsContact CE-OE1 3.23Å; K2136-E2140 WeakPolarHBondContact CE-OE1 3.31Å; K2136-E2140 WeakPolarHBondContact CE-OE2 3.29Å; K2136-E2140 IonicContact NZ-OE1 2.78Å; K2136-E2140 PolarHBondContact NZ-OE1 3.22Å; K2136-E2140 IonicContact NZ-OE2 2.97Å; K2136-E2140 PolarHBondContact NZ-OE2 3.22Å; K2136-C2141 CarbonylContact C-O 3.56Å; K2136-C2141 VanDerWaalsContact CA-O 3.32Å; K2136-C2141 WeakPolarHBondContact CA-O 3.38Å; K2136-I2142 HydrophobicContact CB-CG1 4.34Å; K2136-I2142 HydrophobicContact CD-CG1 4.32Å; K2136-I2142 HydrophobicContact CG-CG1 4.03Å |
| 2137 | D | 86.2 | Confident | 86.1 | Confident | 5.2 Ų | 5.2 | 45.9 Ų | 45.9 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | trans | -84.4 | 175 | -178.6 | 75.8 | -1 | 0 | 0 | 0 | 112.6 | Y2135 N2139 E2140 C2141 F2143 G2206 E2208 | Y2135-D2137 HydrophobicContact CE1-CB 3.99Å; D2137-N2139 PolarHBondContact O-N 3Å; D2137-N2139 VanDerWaalsContact OD1-C 3.26Å; D2137-N2139 VanDerWaalsContact OD1-CA 3.31Å; D2137-N2139 WeakPolarHBondContact OD1-CA 3.31Å; D2137-N2139 WeakPolarHBondContact OD1-CB 3.35Å; D2137-N2139 PolarHBondContact OD1-N 3.22Å; D2137-N2139 PolarHBondContact OD2-ND2 2.8Å; D2137-E2140 PolarHBondContact O-N 3.01Å; D2137-E2140 VanDerWaalsContact O-N 3.11Å; D2137-E2140 PolarHBondContact OD1-N 3.07Å; D2137-E2140 VanDerWaalsContact OD1-N 3.14Å; D2137-C2141 PolarHBondContact N-O 3.15Å; D2137-C2141 WeakPolarHBondContact OD1-CA 3.26Å; D2137-C2141 VanDerWaalsContact OD1-CB 3.32Å; D2137-C2141 WeakPolarHBondContact OD1-CB 3.42Å; D2137-C2141 PolarHBondContact OD1-N 2.97Å; D2137-F2143 HydrophobicContact CB-CE2 3.99Å; D2137-G2206 PolarHBondContact OD2-N 2.72Å; D2137-E2208 WeakPolarHBondContact CA-OE1 3.45Å; D2137-E2208 HydrophobicContact CB-CG 4.49Å; D2137-E2208 WeakPolarHBondContact CB-OE1 3.29Å | ||
| 2138 | S | 84.7 | Confident | 86.3 | Confident | 81.2 Ų | 81.2 | 38.2 Ų | 38.2 | 57% | 0.568 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.2 | 174.5 | 51.5 | 0 | 0 | 0 | 0 | 115 | E2140 E2208 | S2138-E2140 VanDerWaalsContact C-N 3.25Å; S2138-E2140 PolarHBondContact O-N 3.18Å; S2138-E2208 WeakPolarHBondContact CB-OE1 3.44Å; S2138-E2208 WeakPolarHBondContact CB-OE2 3.42Å; S2138-E2208 PolarHBondContact N-OE1 3.22Å; S2138-E2208 PolarHBondContact N-OE2 3.17Å; S2138-E2208 PolarHBondContact OG-OE1 3.01Å; S2138-E2208 PolarHBondContact OG-OE2 3.28Å |
| 2139 | N | 84.3 | Confident | 85.8 | Confident | 110.6 Ų | 110.6 | 38.7 Ų | 38.7 | 59% | 0.591 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 7.7 | 174.7 | -60.2 | -46.7 | 0 | 0 | 0 | 112.5 | D2137 C2141 | D2137-N2139 PolarHBondContact O-N 3Å; D2137-N2139 VanDerWaalsContact OD1-C 3.26Å; D2137-N2139 VanDerWaalsContact OD1-CA 3.31Å; D2137-N2139 WeakPolarHBondContact OD1-CA 3.31Å; D2137-N2139 WeakPolarHBondContact OD1-CB 3.35Å; D2137-N2139 PolarHBondContact OD1-N 3.22Å; D2137-N2139 PolarHBondContact OD2-ND2 2.8Å; N2139-C2141 PolarHBondContact O-N 3.07Å |
| 2140 | E | 83.7 | Confident | 85.5 | Confident | 131 Ų | 131 | 43.8 Ų | 43.8 | 61% | 0.612 | 22% | 0.22 | S | C | * | . | S | Bend | trans | 65.1 | 15.6 | -176.7 | -57.3 | -85.8 | 109.1 | 0 | 0 | 114.1 | K2136 D2137 S2138 | K2136-E2140 VanDerWaalsContact CE-OE1 3.23Å; K2136-E2140 WeakPolarHBondContact CE-OE1 3.31Å; K2136-E2140 WeakPolarHBondContact CE-OE2 3.29Å; K2136-E2140 IonicContact NZ-OE1 2.78Å; K2136-E2140 PolarHBondContact NZ-OE1 3.22Å; K2136-E2140 IonicContact NZ-OE2 2.97Å; K2136-E2140 PolarHBondContact NZ-OE2 3.22Å; D2137-E2140 PolarHBondContact O-N 3.01Å; D2137-E2140 VanDerWaalsContact O-N 3.11Å; D2137-E2140 PolarHBondContact OD1-N 3.07Å; D2137-E2140 VanDerWaalsContact OD1-N 3.14Å; S2138-E2140 VanDerWaalsContact C-N 3.25Å; S2138-E2140 PolarHBondContact O-N 3.18Å |
| 2141 | C | 88.6 | Confident | 85.7 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 16% | 0.162 | 18% | 0.184 | C | C | . | . | trans | -80.6 | 135.4 | 173.7 | -66.7 | 0 | 0 | 0 | 0 | 109.9 | K2136 D2137 N2139 F2143 D2203 | K2136-C2141 CarbonylContact C-O 3.56Å; K2136-C2141 VanDerWaalsContact CA-O 3.32Å; K2136-C2141 WeakPolarHBondContact CA-O 3.38Å; D2137-C2141 PolarHBondContact N-O 3.15Å; D2137-C2141 WeakPolarHBondContact OD1-CA 3.26Å; D2137-C2141 VanDerWaalsContact OD1-CB 3.32Å; D2137-C2141 WeakPolarHBondContact OD1-CB 3.42Å; D2137-C2141 PolarHBondContact OD1-N 2.97Å; N2139-C2141 PolarHBondContact O-N 3.07Å; C2141-F2143 HydrophobicContact CB-CE2 3.62Å; C2141-F2143 HydrophobicContact CB-CZ 3.65Å; C2141-F2143 WeakPolarHBondContact O-CD2 3.35Å; C2141-F2143 VanDerWaalsContact O-CE2 3.31Å; C2141-F2143 WeakPolarHBondContact O-CE2 3.28Å; C2141-D2203 HydrophobicContact CB-CB 4.31Å; C2141-D2203 PolarHBondContact SG-OD2 3.36Å | ||
| 2142 | I | 92.2 | Very high | 85.3 | Confident | 20.6 Ų | 20.6 | 37.8 Ų | 37.8 | 11% | 0.106 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.3 | -176.5 | -58.8 | 169.4 | 0 | 0 | 0 | 109.5 | L2029 Q2030 Y2033 V2134 Y2135 K2136 | L2029-I2142 HydrophobicContact CB-CB 4.17Å; L2029-I2142 HydrophobicContact CB-CG2 4.01Å; L2029-I2142 HydrophobicContact CD2-CG2 4.45Å; Q2030-I2142 HydrophobicContact CB-CD1 4.33Å; Q2030-I2142 HydrophobicContact CG-CD1 3.79Å; Y2033-I2142 HydrophobicContact CG-CD1 4.32Å; V2134-I2142 HydrophobicContact CG2-CG2 3.9Å; Y2135-I2142 WeakPolarHBondContact O-CA 3.45Å; K2136-I2142 HydrophobicContact CB-CG1 4.34Å; K2136-I2142 HydrophobicContact CD-CG1 4.32Å; K2136-I2142 HydrophobicContact CG-CG1 4.03Å |
| 2143 | F | 92.8 | Very high | 84.5 | Confident | 0.6 Ų | 0.6 | 44.9 Ų | 44.9 | 0% | 0.003 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 150.3 | 179.7 | -53.9 | -86.9 | 0 | 0 | 0 | 109.8 | V2090 V2134 Y2135 D2137 C2141 V2199 H2200 D2203 P2205 I2209 | V2090-F2143 HydrophobicContact CG2-CD1 4.08Å; V2090-F2143 HydrophobicContact CG2-CE1 4.18Å; V2134-F2143 WeakPolarHBondContact CA-O 3.32Å; V2134-F2143 WeakPolarHBondContact CG2-O 3.3Å; Y2135-F2143 HydrophobicContact CD1-CD2 4.36Å; Y2135-F2143 PolarHBondContact N-O 3.23Å; Y2135-F2143 PolarHBondContact O-N 3.04Å; Y2135-F2143 VanDerWaalsContact O-O 3.07Å; D2137-F2143 HydrophobicContact CB-CE2 3.99Å; C2141-F2143 HydrophobicContact CB-CE2 3.62Å; C2141-F2143 HydrophobicContact CB-CZ 3.65Å; C2141-F2143 WeakPolarHBondContact O-CD2 3.35Å; C2141-F2143 VanDerWaalsContact O-CE2 3.31Å; C2141-F2143 WeakPolarHBondContact O-CE2 3.28Å; F2143-V2199 HydrophobicContact CB-CG1 3.92Å; F2143-V2199 HydrophobicContact CD1-CG1 4.12Å; F2143-V2199 HydrophobicContact CG-CG1 4.21Å; F2143-H2200 CarbonylContact C-O 3.54Å; F2143-H2200 VanDerWaalsContact CA-O 3.26Å; F2143-H2200 WeakPolarHBondContact CA-O 3.29Å; F2143-D2203 WeakPolarHBondContact CE1-O 3.32Å; F2143-P2205 HydrophobicContact CE1-CB 4.14Å; F2143-P2205 HydrophobicContact CZ-CB 4.24Å; F2143-I2209 HydrophobicContact CD2-CD1 4.2Å; F2143-I2209 HydrophobicContact CE2-CD1 4.38Å; F2143-I2209 HydrophobicContact CG-CD1 4.42Å |
| 2144 | Y | 93.1 | Very high | 83.6 | Confident | 0.6 Ų | 0.6 | 48.2 Ų | 48.2 | 0% | 0.002 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 141.4 | 161.1 | 71.3 | -92.9 | 0 | 0 | 0 | 110.2 | L2029 L2032 L2042 V2043 C2087 V2132 F2133 R2146 H2200 | L2029-Y2144 HydrophobicContact CD2-CD1 3.65Å; L2029-Y2144 HydrophobicContact CD2-CE1 4.26Å; L2032-Y2144 HydrophobicContact CD2-CD1 4.43Å; L2032-Y2144 HydrophobicContact CD2-CG 4.43Å; L2042-Y2144 HydrophobicContact CD1-CE1 3.98Å; L2042-Y2144 HydrophobicContact CD2-CD1 4.08Å; L2042-Y2144 HydrophobicContact CD2-CE1 4.14Å; L2042-Y2144 HydrophobicContact CG-CD1 4.4Å; L2042-Y2144 HydrophobicContact CG-CE1 3.96Å; V2043-Y2144 HydrophobicContact CG2-CD2 4.23Å; V2043-Y2144 HydrophobicContact CG2-CE1 4.48Å; V2043-Y2144 HydrophobicContact CG2-CE2 3.84Å; C2087-Y2144 HydrophobicContact CB-CE1 3.77Å; C2087-Y2144 PolarHBondContact N-OH 3.21Å; C2087-Y2144 VanDerWaalsContact N-OH 3.16Å; V2132-Y2144 HydrophobicContact CG1-CD2 4.26Å; F2133-Y2144 CarbonylContact O-C 3.45Å; F2133-Y2144 WeakPolarHBondContact O-CA 3.36Å; Y2144-R2146 HydrophobicContact CD2-CG 4.09Å; Y2144-R2146 HydrophobicContact CE2-CG 4.1Å; Y2144-H2200 HydrophobicContact CD1-CB 3.99Å; Y2144-H2200 HydrophobicContact CD2-CB 3.91Å; Y2144-H2200 HydrophobicContact CE1-CB 3.56Å; Y2144-H2200 HydrophobicContact CE2-CB 3.43Å; Y2144-H2200 VanDerWaalsContact CE2-CB 3.45Å; Y2144-H2200 AromaticContact CE2-CD2 3.57Å; Y2144-H2200 AromaticContact CE2-CG 3.45Å; Y2144-H2200 VanDerWaalsContact CE2-CG 3.44Å; Y2144-H2200 HydrophobicContact CG-CB 4.16Å; Y2144-H2200 AromaticContact CZ-CG 3.59Å; Y2144-H2200 AromaticContact CZ-ND1 3.98Å; Y2144-H2200 PolarHBondContact N-O 3.13Å; Y2144-H2200 WeakPolarHBondContact O-CB 3.38Å; Y2144-H2200 PolarHBondContact O-N 3.23Å; Y2144-H2200 WeakPolarHBondContact OH-CB 3.24Å; Y2144-H2200 PolarHBondContact OH-ND1 3.09Å |
| 2145 | M | 90.9 | Very high | 82.8 | Confident | 1.4 Ų | 1.4 | 48.4 Ų | 48.4 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 142.7 | 178.8 | -58.5 | 179.7 | -103.7 | 0 | 0 | 109.4 | V2132 F2133 Y2135 L2197 T2198 V2199 F2213 | V2132-M2145 CarbonylContact C-O 3.5Å; V2132-M2145 VanDerWaalsContact CA-O 3.31Å; V2132-M2145 WeakPolarHBondContact CA-O 3.3Å; F2133-M2145 HydrophobicContact CB-CB 4.35Å; F2133-M2145 HydrophobicContact CB-CE 4.45Å; F2133-M2145 PolarHBondContact N-O 3Å; F2133-M2145 PolarHBondContact O-N 3.13Å; Y2135-M2145 VanDerWaalsContact CB-CE 3.42Å; Y2135-M2145 HydrophobicContact CD1-CE 4.43Å; Y2135-M2145 HydrophobicContact CD2-CE 4.34Å; Y2135-M2145 HydrophobicContact CG-CE 4.12Å; M2145-L2197 HydrophobicContact CB-CD1 3.99Å; M2145-L2197 HydrophobicContact SD-CD2 4.29Å; M2145-T2198 CarbonylContact C-O 3.51Å; M2145-T2198 WeakPolarHBondContact CA-O 3.38Å; M2145-T2198 WeakPolarHBondContact CB-O 3.43Å; M2145-V2199 HydrophobicContact CG-CB 4.45Å; M2145-V2199 HydrophobicContact CG-CG1 4.31Å; M2145-V2199 HydrophobicContact CG-CG2 4.1Å; M2145-V2199 HydrophobicContact SD-CG2 4.46Å; M2145-F2213 HydrophobicContact CE-CD1 4.44Å; M2145-F2213 HydrophobicContact CE-CE1 3.86Å; M2145-F2213 HydrophobicContact CE-CE2 4.38Å; M2145-F2213 HydrophobicContact CE-CZ 3.64Å; M2145-F2213 HydrophobicContact SD-CD1 4.26Å; M2145-F2213 HydrophobicContact SD-CE1 3.4Å; M2145-F2213 WeakPolarHBondContact SD-CE1 3.42Å; M2145-F2213 HydrophobicContact SD-CZ 3.76Å |
| 2146 | R | 88.1 | Confident | 81.9 | Confident | 40.2 Ų | 40.2 | 47.5 Ų | 47.5 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129 | 173.2 | -68 | -166.4 | -179.2 | 174.8 | 9.5 | 110.6 | V2043 E2044 S2131 V2132 Y2144 H2148 L2197 T2198 | V2043-R2146 VanDerWaalsContact CA-NH2 3.3Å; V2043-R2146 VanDerWaalsContact CB-NH2 3.31Å; E2044-R2146 PolarHBondContact O-NH2 3.43Å; E2044-R2146 VanDerWaalsContact O-NH2 3.16Å; S2131-R2146 WeakPolarHBondContact O-CA 3.36Å; V2132-R2146 HydrophobicContact CG2-CG 3.93Å; Y2144-R2146 HydrophobicContact CD2-CG 4.09Å; Y2144-R2146 HydrophobicContact CE2-CG 4.1Å; R2146-H2148 PolarHBondContact O-CD2 3.12Å; R2146-L2197 WeakPolarHBondContact O-CA 3.39Å; R2146-T2198 PolarHBondContact N-O 3.05Å; R2146-T2198 PolarHBondContact O-N 3.15Å; R2146-T2198 PolarHBondContact O-OG1 3Å |
| 2147 | L | 85.9 | Confident | 81.2 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117 | 173.2 | -168.2 | 70.2 | 0 | 0 | 0 | 109 | L2114 V2117 R2118 L2121 S2131 F2133 V2195 L2197 | L2114-L2147 HydrophobicContact CD2-CD2 3.84Å; L2114-L2147 HydrophobicContact CD2-CG 4.4Å; V2117-L2147 HydrophobicContact CG1-CD1 4.02Å; V2117-L2147 HydrophobicContact CG1-CD2 4.25Å; R2118-L2147 HydrophobicContact CG-CD2 4.45Å; L2121-L2147 HydrophobicContact CD1-CD1 4.38Å; L2121-L2147 HydrophobicContact CD1-CD2 4.47Å; S2131-L2147 PolarHBondContact O-N 3.1Å; S2131-L2147 VanDerWaalsContact O-N 3.08Å; F2133-L2147 HydrophobicContact CE2-CB 3.96Å; L2147-V2195 HydrophobicContact CD1-CG1 3.42Å; L2147-V2195 VanDerWaalsContact CD1-CG1 3.42Å; L2147-V2195 HydrophobicContact CG-CG1 3.98Å; L2147-L2197 HydrophobicContact CB-CD1 4.47Å; L2147-L2197 HydrophobicContact CD1-CB 4.5Å; L2147-L2197 HydrophobicContact CD1-CD1 4.1Å |
| 2148 | H | 81.7 | Confident | 80.7 | Confident | 12.2 Ų | 12.2 | 52.9 Ų | 52.9 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.3 | 178.6 | -58.2 | -90.1 | 0 | 0 | 0 | 109.6 | R2146 V2155 L2196 T2198 | R2146-H2148 PolarHBondContact O-CD2 3.12Å; H2148-V2155 HydrophobicContact CB-CG1 4.46Å; H2148-V2155 WeakPolarHBondContact ND1-CG2 3.49Å; H2148-L2196 HydrophobicContact CB-CB 4.21Å; H2148-L2196 HydrophobicContact CB-CD2 4.43Å; H2148-L2196 HydrophobicContact CB-CG 4.49Å; H2148-L2196 PolarHBondContact N-O 3.04Å; H2148-L2196 PolarHBondContact O-N 3.02Å; H2148-L2196 VanDerWaalsContact O-N 3.13Å; H2148-T2198 PolarHBondContact CD2-OG1 3.21Å; H2148-T2198 PolarHBondContact NE2-OG1 2.92Å |
| 2149 | E | 72 | Confident | 80.2 | Confident | 73.8 Ų | 73.8 | 49.6 Ų | 49.6 | 35% | 0.345 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -91.5 | -37.9 | 176.6 | -55.6 | -176.1 | -176.2 | 0 | 0 | 110.5 | L2114 R2118 | L2114-E2149 HydrophobicContact CD1-CG 4.28Å; L2114-E2149 WeakPolarHBondContact CD1-OE1 3.45Å; L2114-E2149 WeakPolarHBondContact CD1-OE2 3.29Å; L2114-E2149 HydrophobicContact CD2-CG 3.84Å; L2114-E2149 VanDerWaalsContact CD2-OE1 3.22Å; L2114-E2149 WeakPolarHBondContact CD2-OE1 3.35Å; R2118-E2149 IonicContact CZ-OE1 3.52Å; R2118-E2149 IonicContact NE-OE1 3.5Å; R2118-E2149 IonicContact NH2-OE1 3.56Å; R2118-E2149 PolarHBondContact NH2-OE1 3.35Å |
| 2150 | E | 70.3 | Confident | 79.7 | Confident | 127.4 Ų | 127.4 | 51.3 Ų | 51.3 | 60% | 0.595 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -112.1 | 124.5 | 172.9 | -64.8 | -177.5 | 172.3 | 0 | 0 | 110 | D2152 | E2150-D2152 PolarHBondContact O-N 3.32Š|
| 2151 | I | 74.3 | Confident | 79.2 | Confident | 1.8 Ų | 1.8 | 54.8 Ų | 54.8 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | trans | -99.9 | 95 | -174.9 | -57.3 | 145.8 | 0 | 0 | 0 | 108.2 | W2094 V2155 I2156 V2190 N2191 | W2094-I2151 HydrophobicContact CH2-CD1 3.9Å; W2094-I2151 HydrophobicContact CH2-CG1 4.29Å; W2094-I2151 HydrophobicContact CH2-CG2 4.22Å; W2094-I2151 HydrophobicContact CZ3-CD1 3.46Å; W2094-I2151 VanDerWaalsContact CZ3-CD1 3.46Å; W2094-I2151 HydrophobicContact CZ3-CG1 4.17Å; I2151-V2155 HydrophobicContact CG2-CB 4.42Å; I2151-V2155 HydrophobicContact CG2-CG1 4.39Å; I2151-I2156 HydrophobicContact CG2-CD1 4.26Å; I2151-I2156 HydrophobicContact CG2-CG1 3.85Å; I2151-V2190 HydrophobicContact CD1-CB 4.19Å; I2151-V2190 HydrophobicContact CD1-CG1 3.5Å; I2151-V2190 VanDerWaalsContact CD1-CG1 3.49Å; I2151-N2191 WeakPolarHBondContact CA-OD1 3.38Å; I2151-N2191 WeakPolarHBondContact CB-OD1 3.32Å; I2151-N2191 PolarHBondContact N-OD1 3.07Å; I2151-N2191 PolarHBondContact O-OD1 2.85Å | ||
| 2152 | D | 71.2 | Confident | 78.6 | Confident | 66.6 Ų | 66.6 | 54.3 Ų | 54.3 | 36% | 0.356 | 25% | 0.253 | S | S | . | . | trans | -85 | 169 | 174.7 | -49.3 | -23.1 | 0 | 0 | 0 | 112.2 | R2046 E2150 S2154 V2155 I2156 | R2046-D2152 IonicContact CZ-OD2 3.73Å; R2046-D2152 IonicContact NH1-OD2 3.15Å; R2046-D2152 PolarHBondContact NH1-OD2 2.74Å; R2046-D2152 IonicContact NH2-OD2 3.94Å; R2046-D2152 PolarHBondContact NH2-OD2 2.9Å; E2150-D2152 PolarHBondContact O-N 3.32Å; D2152-S2154 VanDerWaalsContact CG-OG 3.26Å; D2152-S2154 PolarHBondContact O-N 3.04Å; D2152-S2154 VanDerWaalsContact O-N 3.11Å; D2152-S2154 VanDerWaalsContact OD1-CA 3.28Å; D2152-S2154 WeakPolarHBondContact OD1-CA 3.39Å; D2152-S2154 VanDerWaalsContact OD1-CB 3.23Å; D2152-S2154 WeakPolarHBondContact OD1-CB 3.37Å; D2152-S2154 PolarHBondContact OD1-N 3.18Å; D2152-S2154 PolarHBondContact OD1-OG 2.87Å; D2152-S2154 PolarHBondContact OD2-OG 2.97Å; D2152-V2155 PolarHBondContact O-N 3.13Å; D2152-V2155 WeakPolarHBondContact OD1-CG2 3.27Å; D2152-V2155 PolarHBondContact OD1-N 3.38Å; D2152-I2156 WeakPolarHBondContact O-CD1 3.16Å; D2152-I2156 WeakPolarHBondContact O-CG1 3.32Å; D2152-I2156 PolarHBondContact O-N 2.92Å; D2152-I2156 VanDerWaalsContact O-N 3.16Å | ||
| 2153 | K | 70.5 | Confident | 77.4 | Confident | 148 Ų | 148 | 63 Ų | 63 | 64% | 0.643 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -52.8 | -27.7 | 172.9 | -67.6 | -174.6 | 178.6 | -176.2 | 0 | 113.3 | K2157 | K2153-K2157 WeakPolarHBondContact O-CG 3.27Å; K2153-K2157 PolarHBondContact O-N 3.18Å; K2153-K2157 VanDerWaalsContact O-N 3.13Å |
| 2154 | S | 73.1 | Confident | 75.8 | Confident | 71.4 Ų | 71.4 | 64.8 Ų | 64.8 | 50% | 0.499 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.4 | -43.7 | 177.9 | 60.9 | 0 | 0 | 0 | 0 | 112.3 | D2152 I2156 K2157 L2158 | D2152-S2154 VanDerWaalsContact CG-OG 3.26Å; D2152-S2154 PolarHBondContact O-N 3.04Å; D2152-S2154 VanDerWaalsContact O-N 3.11Å; D2152-S2154 VanDerWaalsContact OD1-CA 3.28Å; D2152-S2154 WeakPolarHBondContact OD1-CA 3.39Å; D2152-S2154 VanDerWaalsContact OD1-CB 3.23Å; D2152-S2154 WeakPolarHBondContact OD1-CB 3.37Å; D2152-S2154 PolarHBondContact OD1-N 3.18Å; D2152-S2154 PolarHBondContact OD1-OG 2.87Å; D2152-S2154 PolarHBondContact OD2-OG 2.97Å; S2154-I2156 VanDerWaalsContact C-N 3.31Å; S2154-I2156 PolarHBondContact O-N 3.15Å; S2154-K2157 PolarHBondContact O-N 2.93Å; S2154-L2158 PolarHBondContact O-N 3.01Å; S2154-L2158 VanDerWaalsContact O-N 3.09Å |
| 2155 | V | 75.4 | Confident | 73.8 | Confident | 4.4 Ų | 4.4 | 70.4 Ų | 70.4 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | H2148 I2151 D2152 K2157 L2158 I2159 L2196 | H2148-V2155 HydrophobicContact CB-CG1 4.46Å; H2148-V2155 WeakPolarHBondContact ND1-CG2 3.49Å; I2151-V2155 HydrophobicContact CG2-CB 4.42Å; I2151-V2155 HydrophobicContact CG2-CG1 4.39Å; D2152-V2155 PolarHBondContact O-N 3.13Å; D2152-V2155 WeakPolarHBondContact OD1-CG2 3.27Å; D2152-V2155 PolarHBondContact OD1-N 3.38Å; V2155-K2157 PolarHBondContact O-N 3.25Å; V2155-L2158 VanDerWaalsContact O-CB 3.29Å; V2155-L2158 WeakPolarHBondContact O-CB 3.29Å; V2155-L2158 PolarHBondContact O-N 2.84Å; V2155-L2158 VanDerWaalsContact O-N 3.16Å; V2155-I2159 HydrophobicContact CG1-CD1 4.42Å; V2155-I2159 WeakPolarHBondContact O-CG1 3.34Å; V2155-I2159 PolarHBondContact O-N 3.17Å; V2155-I2159 VanDerWaalsContact O-N 3.07Å; V2155-L2196 HydrophobicContact CG1-CD2 3.38Å; V2155-L2196 VanDerWaalsContact CG1-CD2 3.44Å |
| 2156 | I | 71.8 | Confident | 71.8 | Confident | 18.2 Ų | 18.2 | 72.9 Ų | 72.9 | 9% | 0.093 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 176.6 | -63.3 | 162.5 | 0 | 0 | 0 | 111.1 | I2151 D2152 S2154 L2158 I2159 Q2160 L2184 | I2151-I2156 HydrophobicContact CG2-CD1 4.26Å; I2151-I2156 HydrophobicContact CG2-CG1 3.85Å; D2152-I2156 WeakPolarHBondContact O-CD1 3.16Å; D2152-I2156 WeakPolarHBondContact O-CG1 3.32Å; D2152-I2156 PolarHBondContact O-N 2.92Å; D2152-I2156 VanDerWaalsContact O-N 3.16Å; S2154-I2156 VanDerWaalsContact C-N 3.31Å; S2154-I2156 PolarHBondContact O-N 3.15Å; I2156-L2158 PolarHBondContact O-N 3.17Å; I2156-I2159 PolarHBondContact O-N 2.99Å; I2156-I2159 VanDerWaalsContact O-N 3.17Å; I2156-Q2160 WeakPolarHBondContact O-CG 3.39Å; I2156-Q2160 PolarHBondContact O-N 3.03Å; I2156-L2184 HydrophobicContact CB-CD2 4.14Å; I2156-L2184 HydrophobicContact CD1-CD1 4.44Å; I2156-L2184 HydrophobicContact CD1-CD2 3.16Å; I2156-L2184 HydrophobicContact CD1-CG 3.63Å; I2156-L2184 VanDerWaalsContact CD1-CG 3.49Å; I2156-L2184 HydrophobicContact CG1-CD2 3.37Å; I2156-L2184 VanDerWaalsContact CG1-CD2 3.41Å; I2156-L2184 HydrophobicContact CG1-CG 4.32Å; I2156-L2184 HydrophobicContact CG2-CD2 3.66Å |
| 2157 | K | 74.9 | Confident | 69.5 | Low | 122 Ų | 122 | 76.7 Ų | 76.7 | 53% | 0.53 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -33.1 | 175.7 | -74.2 | 178.2 | -179.4 | -177.4 | 0 | 112.3 | K2153 S2154 V2155 R2161 | K2153-K2157 WeakPolarHBondContact O-CG 3.27Å; K2153-K2157 PolarHBondContact O-N 3.18Å; K2153-K2157 VanDerWaalsContact O-N 3.13Å; S2154-K2157 PolarHBondContact O-N 2.93Å; V2155-K2157 PolarHBondContact O-N 3.25Å; K2157-R2161 WeakPolarHBondContact O-CG 3.34Å; K2157-R2161 PolarHBondContact O-N 3.04Å |
| 2158 | L | 75.9 | Confident | 67.5 | Low | 49.8 Ų | 49.8 | 85.9 Ų | 85.9 | 26% | 0.261 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 175.9 | -176 | 98.4 | 0 | 0 | 0 | 111.1 | C2089 S2154 V2155 I2156 R2161 C2162 T2198 H2200 | C2089-L2158 HydrophobicContact CB-CD1 4.14Å; C2089-L2158 HydrophobicContact CB-CD2 3.91Å; C2089-L2158 HydrophobicContact CB-CG 3.86Å; S2154-L2158 PolarHBondContact O-N 3.01Å; S2154-L2158 VanDerWaalsContact O-N 3.09Å; V2155-L2158 VanDerWaalsContact O-CB 3.29Å; V2155-L2158 WeakPolarHBondContact O-CB 3.29Å; V2155-L2158 PolarHBondContact O-N 2.84Å; V2155-L2158 VanDerWaalsContact O-N 3.16Å; I2156-L2158 PolarHBondContact O-N 3.17Å; L2158-R2161 PolarHBondContact O-N 3.06Å; L2158-C2162 PolarHBondContact O-N 3.16Å; L2158-T2198 HydrophobicContact CD2-CG2 4.11Å; L2158-H2200 VanDerWaalsContact CD2-CE1 3.47Å; L2158-H2200 WeakPolarHBondContact CD2-CE1 3.39Å |
| 2159 | I | 74 | Confident | 65.6 | Low | 10.8 Ų | 10.8 | 88.6 Ų | 88.6 | 6% | 0.055 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 177.9 | -63.7 | 165.9 | 0 | 0 | 0 | 111.5 | Y2092 W2094 V2155 I2156 R2161 C2162 L2196 | Y2092-I2159 HydrophobicContact CD1-CG2 4.16Å; Y2092-I2159 HydrophobicContact CD2-CG2 4.28Å; Y2092-I2159 HydrophobicContact CE1-CG2 3.75Å; Y2092-I2159 HydrophobicContact CE2-CG2 3.88Å; Y2092-I2159 HydrophobicContact CG-CG2 4.42Å; W2094-I2159 HydrophobicContact CH2-CD1 4.2Å; W2094-I2159 HydrophobicContact CZ2-CD1 3.47Å; W2094-I2159 VanDerWaalsContact CZ2-CD1 3.5Å; V2155-I2159 HydrophobicContact CG1-CD1 4.42Å; V2155-I2159 WeakPolarHBondContact O-CG1 3.34Å; V2155-I2159 PolarHBondContact O-N 3.17Å; V2155-I2159 VanDerWaalsContact O-N 3.07Å; I2156-I2159 PolarHBondContact O-N 2.99Å; I2156-I2159 VanDerWaalsContact O-N 3.17Å; I2159-R2161 PolarHBondContact O-N 3.09Å; I2159-R2161 VanDerWaalsContact O-N 3.12Å; I2159-C2162 VanDerWaalsContact O-CB 3.23Å; I2159-C2162 WeakPolarHBondContact O-CB 3.35Å; I2159-C2162 PolarHBondContact O-N 3.24Å; I2159-L2196 HydrophobicContact CD1-CD1 4.2Å; I2159-L2196 HydrophobicContact CD1-CD2 3.39Å; I2159-L2196 VanDerWaalsContact CD1-CD2 3.41Å; I2159-L2196 HydrophobicContact CD1-CG 4.44Å; I2159-L2196 HydrophobicContact CG1-CD2 4.18Å |
| 2160 | Q | 73.1 | Confident | 64 | Low | 147 Ų | 147 | 94.3 Ų | 94.3 | 69% | 0.687 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.1 | -23.5 | 178.4 | -74.2 | 175.9 | -15 | 0 | 0 | 113.4 | I2156 | I2156-Q2160 WeakPolarHBondContact O-CG 3.39Å; I2156-Q2160 PolarHBondContact O-N 3.03Å |
| 2161 | R | 74.3 | Confident | 62.7 | Low | 204 Ų | 204 | 90.7 Ų | 90.7 | 77% | 0.77 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.2 | 175.7 | -68.9 | 176.1 | -175.9 | 162.7 | -0.6 | 113.6 | K2157 L2158 I2159 K2163 | K2157-R2161 WeakPolarHBondContact O-CG 3.34Å; K2157-R2161 PolarHBondContact O-N 3.04Å; L2158-R2161 PolarHBondContact O-N 3.06Å; I2159-R2161 PolarHBondContact O-N 3.09Å; I2159-R2161 VanDerWaalsContact O-N 3.12Å; R2161-K2163 PolarHBondContact O-N 3.2Å |
| 2162 | C | 75.3 | Confident | 61.4 | Low | 13 Ų | 13 | 94.8 Ų | 94.8 | 9% | 0.088 | 47% | 0.471 | C | S | . | . | trans | -73.1 | 121.3 | 179.1 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | C2089 Y2092 L2158 I2159 C2164 | C2089-C2162 HydrophobicContact CB-CB 4.3Å; C2089-C2162 PolarHBondContact O-SG 3.26Å; C2089-C2162 VanDerWaalsContact O-SG 3.35Å; Y2092-C2162 HydrophobicContact CD1-CB 4.15Å; Y2092-C2162 HydrophobicContact CE1-CB 4.08Å; L2158-C2162 PolarHBondContact O-N 3.16Å; I2159-C2162 VanDerWaalsContact O-CB 3.23Å; I2159-C2162 WeakPolarHBondContact O-CB 3.35Å; I2159-C2162 PolarHBondContact O-N 3.24Å; C2162-C2164 VanDerWaalsContact C-N 3.34Å | ||
| 2163 | K | 67 | Low | 60.1 | Low | 202.8 Ų | 202.8 | 95.2 Ų | 95.2 | 88% | 0.882 | 47% | 0.473 | S | S | * | . | trans | -74.3 | -26.3 | -178.7 | -69.4 | -177.6 | 178.3 | 179.8 | 0 | 113.3 | R2161 I2165 | R2161-K2163 PolarHBondContact O-N 3.2Å; K2163-I2165 PolarHBondContact O-N 2.93Å; K2163-I2165 VanDerWaalsContact O-N 3.1Å | ||
| 2164 | C | 58.5 | Low | 59 | Low | 39.6 Ų | 39.6 | 89.4 Ų | 89.4 | 27% | 0.268 | 46% | 0.455 | S | S | . | . | trans | -76.5 | 100.1 | -179.4 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | V2090 C2162 S2166 | V2090-C2164 VanDerWaalsContact O-CB 3.24Å; V2090-C2164 WeakPolarHBondContact O-CB 3.35Å; V2090-C2164 PolarHBondContact O-SG 3.16Å; C2162-C2164 VanDerWaalsContact C-N 3.34Å; C2164-S2166 PolarHBondContact O-N 2.81Å | ||
| 2165 | I | 51.5 | Low | 57.9 | Low | 118.8 Ų | 118.8 | 88 Ų | 88 | 61% | 0.609 | 45% | 0.451 | S | S | * | . | trans | -84.9 | 107.4 | 162.8 | -55.4 | 175.1 | 0 | 0 | 0 | 106.1 | K2163 D2167 | K2163-I2165 PolarHBondContact O-N 2.93Å; K2163-I2165 VanDerWaalsContact O-N 3.1Å; I2165-D2167 HydrophobicContact CB-CB 4.36Å; I2165-D2167 HydrophobicContact CG2-CB 3.7Å; I2165-D2167 WeakPolarHBondContact CG2-OD1 3.34Å; I2165-D2167 PolarHBondContact O-N 3.14Å | ||
| 2166 | S | 47.8 | Very low | 56.7 | Low | 52.2 Ų | 52.2 | 91.2 Ų | 91.2 | 37% | 0.365 | 47% | 0.466 | S | S | . | . | trans | -66.6 | 74.2 | 165.4 | 170.4 | 0 | 0 | 0 | 0 | 108.9 | C2164 K2168 | C2164-S2166 PolarHBondContact O-N 2.81Å; S2166-K2168 VanDerWaalsContact C-N 3.26Å; S2166-K2168 PolarHBondContact O-N 3.09Å; S2166-K2168 VanDerWaalsContact O-N 3.16Å | ||
| 2167 | D | 40.9 | Very low | 55.7 | Low | 120.6 Ų | 120.6 | 91.5 Ų | 91.5 | 65% | 0.645 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 36.8 | -173.3 | -126.7 | 2.2 | 0 | 0 | 0 | 112 | I2165 R2178 | I2165-D2167 HydrophobicContact CB-CB 4.36Å; I2165-D2167 HydrophobicContact CG2-CB 3.7Å; I2165-D2167 WeakPolarHBondContact CG2-OD1 3.34Å; I2165-D2167 PolarHBondContact O-N 3.14Å; D2167-R2178 IonicContact OD2-NH2 2.88Å |
| 2168 | K | 43.5 | Very low | 55 | Low | 200.2 Ų | 200.2 | 94.7 Ų | 94.7 | 87% | 0.87 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -3.7 | 167.5 | -81.5 | -173.1 | 179.5 | -179.3 | 0 | 114.3 | S2166 Q2170 | S2166-K2168 VanDerWaalsContact C-N 3.26Å; S2166-K2168 PolarHBondContact O-N 3.09Å; S2166-K2168 VanDerWaalsContact O-N 3.16Å; K2168-Q2170 VanDerWaalsContact C-N 3.27Å; K2168-Q2170 PolarHBondContact O-N 3.02Å |
| 2169 | D | 41.2 | Very low | 54 | Low | 68.8 Ų | 68.8 | 100.7 Ų | 100.7 | 37% | 0.368 | 50% | 0.495 | S | S | . | . | trans | -82.3 | 67.3 | 171 | -77.4 | -35.4 | 0 | 0 | 0 | 110.7 | R2093 S2171 | R2093-D2169 IonicContact CZ-OD2 3.01Å; R2093-D2169 IonicContact NH1-OD1 3.28Å; R2093-D2169 IonicContact NH1-OD2 3.11Å; R2093-D2169 PolarHBondContact NH1-OD2 3.16Å; R2093-D2169 IonicContact NH2-OD1 3.9Å; R2093-D2169 IonicContact NH2-OD2 3.33Å; R2093-D2169 PolarHBondContact NH2-OD2 3.23Å; D2169-S2171 PolarHBondContact O-N 3.15Å; D2169-S2171 PolarHBondContact OD1-OG 3.41Å | ||
| 2170 | Q | 38.9 | Very low | 53.1 | Low | 193.4 Ų | 193.4 | 102 Ų | 102 | 90% | 0.904 | 50% | 0.504 | S | S | * | . | trans | -69.4 | 17.4 | 155.2 | -70.4 | -165.6 | 3.4 | 0 | 0 | 111.9 | K2168 | K2168-Q2170 VanDerWaalsContact C-N 3.27Å; K2168-Q2170 PolarHBondContact O-N 3.02Å | ||
| 2171 | S | 42.9 | Very low | 52.4 | Low | 50.6 Ų | 50.6 | 97.7 Ų | 97.7 | 35% | 0.354 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -69 | 147 | 167.3 | 66.3 | 0 | 0 | 0 | 0 | 108.6 | D2169 I2173 G2174 | D2169-S2171 PolarHBondContact O-N 3.15Å; D2169-S2171 PolarHBondContact OD1-OG 3.41Å; S2171-I2173 PolarHBondContact O-N 3Å; S2171-G2174 PolarHBondContact O-N 3.03Å |
| 2172 | S | 46.8 | Very low | 51.8 | Low | 87.8 Ų | 87.8 | 92.1 Ų | 92.1 | 61% | 0.614 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -49.8 | -21.7 | -179 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | G2175 E2176 | S2172-G2175 PolarHBondContact O-N 2.87Å; S2172-E2176 PolarHBondContact O-N 3.24Å |
| 2173 | I | 45.3 | Very low | 50.8 | Low | 76.2 Ų | 76.2 | 97 Ų | 97 | 39% | 0.391 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 175.5 | -58.7 | 172.9 | 0 | 0 | 0 | 111.3 | S2171 G2175 E2176 L2177 | S2171-I2173 PolarHBondContact O-N 3Å; I2173-G2175 VanDerWaalsContact C-N 3.29Å; I2173-G2175 PolarHBondContact O-N 3.09Å; I2173-E2176 PolarHBondContact O-N 2.93Å; I2173-E2176 VanDerWaalsContact O-N 3.15Å; I2173-L2177 HydrophobicContact CG2-CD1 4.19Å; I2173-L2177 VanDerWaalsContact O-CB 3.3Å; I2173-L2177 WeakPolarHBondContact O-CB 3.28Å; I2173-L2177 PolarHBondContact O-N 3.14Å |
| 2174 | G | 46.2 | Very low | 50.1 | Low | 26.2 Ų | 26.2 | 88.4 Ų | 88.4 | 27% | 0.27 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.3 | -34.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S2171 R2178 | S2171-G2174 PolarHBondContact O-N 3.03Å; G2174-R2178 VanDerWaalsContact O-CB 3.32Å; G2174-R2178 WeakPolarHBondContact O-CB 3.18Å; G2174-R2178 PolarHBondContact O-N 3.15Å |
| 2175 | G | 49.7 | Very low | 49.9 | Very low | 40.6 Ų | 40.6 | 93.5 Ų | 93.5 | 42% | 0.419 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.9 | -38.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S2172 I2173 R2178 R2179 | S2172-G2175 PolarHBondContact O-N 2.87Å; I2173-G2175 VanDerWaalsContact C-N 3.29Å; I2173-G2175 PolarHBondContact O-N 3.09Å; G2175-R2178 PolarHBondContact O-N 3.34Å; G2175-R2179 WeakPolarHBondContact O-CG 3.39Å; G2175-R2179 PolarHBondContact O-N 3.11Å; G2175-R2179 VanDerWaalsContact O-N 3.12Å; G2175-R2179 PolarHBondContact O-NE 2.71Å |
| 2176 | E | 50.1 | Low | 50 | Low | 73 Ų | 73 | 92.6 Ų | 92.6 | 34% | 0.341 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 174.2 | -163.4 | 170.4 | -147.7 | 0 | 0 | 110.1 | R2096 S2172 I2173 R2178 R2179 V2180 | R2096-E2176 IonicContact CZ-OE2 3.44Å; R2096-E2176 IonicContact NH1-OE1 3.28Å; R2096-E2176 IonicContact NH1-OE2 3.02Å; R2096-E2176 PolarHBondContact NH1-OE2 3.23Å; R2096-E2176 IonicContact NH2-OE1 2.79Å; R2096-E2176 IonicContact NH2-OE2 2.77Å; S2172-E2176 PolarHBondContact O-N 3.24Å; I2173-E2176 PolarHBondContact O-N 2.93Å; I2173-E2176 VanDerWaalsContact O-N 3.15Å; E2176-R2178 PolarHBondContact O-N 2.86Å; E2176-R2179 CarbonylContact O-C 3.56Å; E2176-R2179 WeakPolarHBondContact O-CB 3.36Å; E2176-R2179 PolarHBondContact O-N 3.31Å; E2176-V2180 WeakPolarHBondContact O-CB 3.23Å; E2176-V2180 VanDerWaalsContact O-CG2 3.25Å; E2176-V2180 WeakPolarHBondContact O-CG2 3.37Å; E2176-V2180 PolarHBondContact O-N 3.11Å |
| 2177 | L | 52.6 | Low | 50.2 | Low | 24.2 Ų | 24.2 | 91.4 Ų | 91.4 | 13% | 0.127 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 177.4 | -130.6 | 141.7 | 0 | 0 | 0 | 112.2 | W2094 I2173 R2179 V2180 L2181 F2194 | W2094-L2177 HydrophobicContact CB-CD1 3.84Å; W2094-L2177 HydrophobicContact CD2-CD1 4.3Å; W2094-L2177 HydrophobicContact CD2-CD2 4.06Å; W2094-L2177 HydrophobicContact CG-CD1 3.95Å; W2094-L2177 HydrophobicContact CG-CD2 3.92Å; W2094-L2177 HydrophobicContact CG-CG 4.5Å; W2094-L2177 HydrophobicContact CZ2-CD2 4.43Å; I2173-L2177 HydrophobicContact CG2-CD1 4.19Å; I2173-L2177 VanDerWaalsContact O-CB 3.3Å; I2173-L2177 WeakPolarHBondContact O-CB 3.28Å; I2173-L2177 PolarHBondContact O-N 3.14Å; L2177-R2179 VanDerWaalsContact C-N 3.33Å; L2177-R2179 PolarHBondContact O-N 3.13Å; L2177-V2180 PolarHBondContact O-N 3.03Å; L2177-L2181 HydrophobicContact CD2-CD1 3.87Å; L2177-L2181 HydrophobicContact CD2-CG 4.11Å; L2177-L2181 VanDerWaalsContact O-CB 3.3Å; L2177-L2181 WeakPolarHBondContact O-CB 3.34Å; L2177-L2181 VanDerWaalsContact O-CG 3.24Å; L2177-L2181 WeakPolarHBondContact O-CG 3.35Å; L2177-L2181 PolarHBondContact O-N 3.09Å; L2177-F2194 HydrophobicContact CD1-CD1 4.39Å; L2177-F2194 HydrophobicContact CD1-CE1 4.18Å |
| 2178 | R | 58.4 | Low | 51 | Low | 189.2 Ų | 189.2 | 90 Ų | 90 | 71% | 0.714 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.1 | -37.7 | 173.8 | -167 | 178.7 | -112.1 | -178.6 | 1.7 | 111.8 | D2167 G2174 G2175 E2176 S2182 | D2167-R2178 IonicContact OD2-NH2 2.88Å; G2174-R2178 VanDerWaalsContact O-CB 3.32Å; G2174-R2178 WeakPolarHBondContact O-CB 3.18Å; G2174-R2178 PolarHBondContact O-N 3.15Å; G2175-R2178 PolarHBondContact O-N 3.34Å; E2176-R2178 PolarHBondContact O-N 2.86Å; R2178-S2182 WeakPolarHBondContact O-CB 3.29Å; R2178-S2182 PolarHBondContact O-N 3.17Å; R2178-S2182 PolarHBondContact O-OG 3.15Å |
| 2179 | R | 55.7 | Low | 51.7 | Low | 176 Ų | 176 | 87 Ų | 87 | 66% | 0.664 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 172.5 | -76.4 | -177.6 | -151.1 | 149.3 | 0.5 | 112.5 | G2175 E2176 L2177 S2182 N2183 | G2175-R2179 WeakPolarHBondContact O-CG 3.39Å; G2175-R2179 PolarHBondContact O-N 3.11Å; G2175-R2179 VanDerWaalsContact O-N 3.12Å; G2175-R2179 PolarHBondContact O-NE 2.71Å; E2176-R2179 CarbonylContact O-C 3.56Å; E2176-R2179 WeakPolarHBondContact O-CB 3.36Å; E2176-R2179 PolarHBondContact O-N 3.31Å; L2177-R2179 VanDerWaalsContact C-N 3.33Å; L2177-R2179 PolarHBondContact O-N 3.13Å; R2179-S2182 WeakPolarHBondContact CA-OG 3.23Å; R2179-S2182 PolarHBondContact O-N 3.12Å; R2179-S2182 PolarHBondContact O-OG 2.94Å; R2179-N2183 VanDerWaalsContact O-CB 3.27Å; R2179-N2183 WeakPolarHBondContact O-CB 3.43Å; R2179-N2183 VanDerWaalsContact O-CG 3.23Å; R2179-N2183 PolarHBondContact O-N 2.99Å; R2179-N2183 VanDerWaalsContact O-N 3.07Å; R2179-N2183 PolarHBondContact O-ND2 2.97Å; R2179-N2183 PolarHBondContact O-OD1 3.28Å |
| 2180 | V | 54.8 | Low | 52.6 | Low | 37.6 Ų | 37.6 | 84.2 Ų | 84.2 | 23% | 0.228 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 176.1 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | E2176 L2177 S2182 N2183 L2184 V2190 | E2176-V2180 WeakPolarHBondContact O-CB 3.23Å; E2176-V2180 VanDerWaalsContact O-CG2 3.25Å; E2176-V2180 WeakPolarHBondContact O-CG2 3.37Å; E2176-V2180 PolarHBondContact O-N 3.11Å; L2177-V2180 PolarHBondContact O-N 3.03Å; V2180-S2182 VanDerWaalsContact C-N 3.32Å; V2180-S2182 PolarHBondContact O-N 3.11Å; V2180-N2183 PolarHBondContact O-N 2.95Å; V2180-L2184 HydrophobicContact CG1-CD1 4.17Å; V2180-L2184 WeakPolarHBondContact O-CB 3.32Å; V2180-L2184 VanDerWaalsContact O-CD1 3.28Å; V2180-L2184 WeakPolarHBondContact O-CD1 3.34Å; V2180-L2184 PolarHBondContact O-N 3.15Å; V2180-V2190 HydrophobicContact CG1-CB 4.45Å; V2180-V2190 HydrophobicContact CG1-CG1 4.24Å; V2180-V2190 HydrophobicContact CG1-CG2 3.41Å; V2180-V2190 VanDerWaalsContact CG1-CG2 3.45Å |
| 2181 | L | 58.9 | Low | 53.6 | Low | 57.4 Ų | 57.4 | 76.7 Ų | 76.7 | 30% | 0.301 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.8 | -32.2 | 176 | -71.3 | 171.8 | 0 | 0 | 0 | 112.8 | W2094 L2177 L2184 | W2094-L2181 HydrophobicContact CZ2-CD2 4.15Å; L2177-L2181 HydrophobicContact CD2-CD1 3.87Å; L2177-L2181 HydrophobicContact CD2-CG 4.11Å; L2177-L2181 VanDerWaalsContact O-CB 3.3Å; L2177-L2181 WeakPolarHBondContact O-CB 3.34Å; L2177-L2181 VanDerWaalsContact O-CG 3.24Å; L2177-L2181 WeakPolarHBondContact O-CG 3.35Å; L2177-L2181 PolarHBondContact O-N 3.09Å; L2181-L2184 HydrophobicContact CD2-CD2 4.06Å; L2181-L2184 WeakPolarHBondContact O-CB 3.41Å |
| 2182 | S | 61.2 | Low | 54.6 | Low | 86.2 Ų | 86.2 | 79.8 Ų | 79.8 | 60% | 0.603 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -78.1 | -28.1 | 175.8 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | R2178 R2179 V2180 L2184 | R2178-S2182 WeakPolarHBondContact O-CB 3.29Å; R2178-S2182 PolarHBondContact O-N 3.17Å; R2178-S2182 PolarHBondContact O-OG 3.15Å; R2179-S2182 WeakPolarHBondContact CA-OG 3.23Å; R2179-S2182 PolarHBondContact O-N 3.12Å; R2179-S2182 PolarHBondContact O-OG 2.94Å; V2180-S2182 VanDerWaalsContact C-N 3.32Å; V2180-S2182 PolarHBondContact O-N 3.11Å; S2182-L2184 VanDerWaalsContact C-N 3.32Å |
| 2183 | N | 54.3 | Low | 55.7 | Low | 115 Ų | 115 | 79.4 Ų | 79.4 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 16.7 | -177.8 | -65.1 | -4.3 | 0 | 0 | 0 | 112.9 | R2179 V2180 D2185 | R2179-N2183 VanDerWaalsContact O-CB 3.27Å; R2179-N2183 WeakPolarHBondContact O-CB 3.43Å; R2179-N2183 VanDerWaalsContact O-CG 3.23Å; R2179-N2183 PolarHBondContact O-N 2.99Å; R2179-N2183 VanDerWaalsContact O-N 3.07Å; R2179-N2183 PolarHBondContact O-ND2 2.97Å; R2179-N2183 PolarHBondContact O-OD1 3.28Å; V2180-N2183 PolarHBondContact O-N 2.95Å; N2183-D2185 PolarHBondContact O-N 3.23Å |
| 2184 | L | 53.1 | Low | 57.2 | Low | 22 Ų | 22 | 76.1 Ų | 76.1 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 25.9 | -164 | -148.9 | 68.2 | 0 | 0 | 0 | 115 | I2156 V2180 L2181 S2182 N2186 V2190 | I2156-L2184 HydrophobicContact CB-CD2 4.14Å; I2156-L2184 HydrophobicContact CD1-CD1 4.44Å; I2156-L2184 HydrophobicContact CD1-CD2 3.16Å; I2156-L2184 HydrophobicContact CD1-CG 3.63Å; I2156-L2184 VanDerWaalsContact CD1-CG 3.49Å; I2156-L2184 HydrophobicContact CG1-CD2 3.37Å; I2156-L2184 VanDerWaalsContact CG1-CD2 3.41Å; I2156-L2184 HydrophobicContact CG1-CG 4.32Å; I2156-L2184 HydrophobicContact CG2-CD2 3.66Å; V2180-L2184 HydrophobicContact CG1-CD1 4.17Å; V2180-L2184 WeakPolarHBondContact O-CB 3.32Å; V2180-L2184 VanDerWaalsContact O-CD1 3.28Å; V2180-L2184 WeakPolarHBondContact O-CD1 3.34Å; V2180-L2184 PolarHBondContact O-N 3.15Å; L2181-L2184 HydrophobicContact CD2-CD2 4.06Å; L2181-L2184 WeakPolarHBondContact O-CB 3.41Å; S2182-L2184 VanDerWaalsContact C-N 3.32Å; L2184-N2186 PolarHBondContact O-N 3.17Å; L2184-V2190 HydrophobicContact CD1-CB 4.44Å; L2184-V2190 HydrophobicContact CD1-CG2 3.45Å; L2184-V2190 VanDerWaalsContact CD1-CG2 3.45Å |
| 2185 | D | 54.9 | Low | 58.8 | Low | 147.4 Ų | 147.4 | 75 Ų | 75 | 79% | 0.788 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -21.7 | 161.9 | -78.2 | -30.5 | 0 | 0 | 0 | 110.9 | N2183 A2187 | N2183-D2185 PolarHBondContact O-N 3.23Å; D2185-A2187 PolarHBondContact O-N 3.18Å |
| 2186 | N | 52.7 | Low | 60.4 | Low | 99.6 Ų | 99.6 | 73.1 Ų | 73.1 | 53% | 0.533 | 37% | 0.373 | S | S | . | . | trans | -101.5 | 66 | 179.2 | -63.5 | -20.8 | 0 | 0 | 0 | 112.3 | L2184 S2188 Q2189 | L2184-N2186 PolarHBondContact O-N 3.17Å; N2186-S2188 PolarHBondContact O-N 3.02Å; N2186-Q2189 PolarHBondContact O-N 3.04Å | ||
| 2187 | A | 53 | Low | 62.3 | Low | 28.4 Ų | 28.4 | 69.6 Ų | 69.6 | 24% | 0.235 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -52.8 | -24.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D2185 Q2189 V2190 N2191 | D2185-A2187 PolarHBondContact O-N 3.18Å; A2187-Q2189 VanDerWaalsContact C-N 3.32Å; A2187-Q2189 PolarHBondContact O-N 3.15Å; A2187-V2190 PolarHBondContact O-N 3.11Å; A2187-N2191 PolarHBondContact O-OD1 3.05Å |
| 2188 | S | 57.7 | Low | 64 | Low | 89.8 Ų | 89.8 | 68.5 Ų | 68.5 | 63% | 0.628 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.2 | -28.8 | -178 | 54 | 0 | 0 | 0 | 0 | 114.8 | N2186 | N2186-S2188 PolarHBondContact O-N 3.02Å |
| 2189 | Q | 56.7 | Low | 65.6 | Low | 138.4 Ų | 138.4 | 59.5 Ų | 59.5 | 65% | 0.647 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -75.3 | -32.9 | -179.8 | -74 | -177.5 | -11.1 | 0 | 0 | 112.5 | N2186 A2187 | N2186-Q2189 PolarHBondContact O-N 3.04Å; A2187-Q2189 VanDerWaalsContact C-N 3.32Å; A2187-Q2189 PolarHBondContact O-N 3.15Å |
| 2190 | V | 60.4 | Low | 67.3 | Low | 8.6 Ų | 8.6 | 51.3 Ų | 51.3 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.7 | -36.5 | -172.8 | -168 | 0 | 0 | 0 | 0 | 112.3 | W2094 I2151 V2180 L2184 A2187 N2192 E2193 F2194 | W2094-V2190 HydrophobicContact CH2-CG1 4.44Å; W2094-V2190 HydrophobicContact CZ3-CG1 4.23Å; I2151-V2190 HydrophobicContact CD1-CB 4.19Å; I2151-V2190 HydrophobicContact CD1-CG1 3.5Å; I2151-V2190 VanDerWaalsContact CD1-CG1 3.49Å; V2180-V2190 HydrophobicContact CG1-CB 4.45Å; V2180-V2190 HydrophobicContact CG1-CG1 4.24Å; V2180-V2190 HydrophobicContact CG1-CG2 3.41Å; V2180-V2190 VanDerWaalsContact CG1-CG2 3.45Å; L2184-V2190 HydrophobicContact CD1-CB 4.44Å; L2184-V2190 HydrophobicContact CD1-CG2 3.45Å; L2184-V2190 VanDerWaalsContact CD1-CG2 3.45Å; A2187-V2190 PolarHBondContact O-N 3.11Å; V2190-N2192 PolarHBondContact O-N 3.03Å; V2190-N2192 VanDerWaalsContact O-N 3.08Å; V2190-E2193 PolarHBondContact O-N 3.14Å; V2190-F2194 HydrophobicContact CG1-CD2 4.06Å; V2190-F2194 PolarHBondContact O-N 3.43Å; V2190-F2194 VanDerWaalsContact O-N 3.16Å |
| 2191 | N | 60.8 | Low | 69 | Low | 37 Ų | 37 | 49.5 Ų | 49.5 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -28.8 | -177.3 | -71.6 | 0.3 | 0 | 0 | 0 | 113.3 | I2151 A2187 | I2151-N2191 WeakPolarHBondContact CA-OD1 3.38Å; I2151-N2191 WeakPolarHBondContact CB-OD1 3.32Å; I2151-N2191 PolarHBondContact N-OD1 3.07Å; I2151-N2191 PolarHBondContact O-OD1 2.85Å; A2187-N2191 PolarHBondContact O-OD1 3.05Å |
| 2192 | N | 63.1 | Low | 70.4 | Confident | 114.8 Ų | 114.8 | 48.4 Ų | 48.4 | 61% | 0.614 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -12.5 | -178.8 | -73 | -20.6 | 0 | 0 | 0 | 113.9 | K2102 V2190 | K2102-N2192 WeakPolarHBondContact CE-O 3.32Å; K2102-N2192 PolarHBondContact NZ-O 3.15Å; V2190-N2192 PolarHBondContact O-N 3.03Å; V2190-N2192 VanDerWaalsContact O-N 3.08Å |
| 2193 | E | 69.2 | Low | 71.6 | Confident | 80.2 Ų | 80.2 | 47.6 Ų | 47.6 | 38% | 0.375 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -25.3 | -172.5 | -70.1 | -164.3 | 160.6 | 0 | 0 | 114.4 | I2097 V2190 | I2097-E2193 WeakPolarHBondContact CB-O 3.31Å; I2097-E2193 PolarHBondContact N-O 3.25Å; V2190-E2193 PolarHBondContact O-N 3.14Å |
| 2194 | F | 76.9 | Confident | 72.9 | Confident | 6.4 Ų | 6.4 | 49.8 Ų | 49.8 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144 | -175.1 | -59.8 | -92.5 | 0 | 0 | 0 | 111.8 | W2094 F2095 R2096 L2177 V2190 | W2094-F2194 HydrophobicContact CE3-CB 3.73Å; W2094-F2194 HydrophobicContact CE3-CG 4.34Å; W2094-F2194 HydrophobicContact CZ3-CB 4.08Å; F2095-F2194 CarbonylContact O-C 3.57Å; F2095-F2194 WeakPolarHBondContact O-CA 3.36Å; R2096-F2194 HydrophobicContact CB-CD1 3.96Å; R2096-F2194 HydrophobicContact CB-CE1 3.78Å; R2096-F2194 HydrophobicContact CG-CD1 4.26Å; R2096-F2194 HydrophobicContact CG-CE1 3.83Å; R2096-F2194 HydrophobicContact CG-CZ 4.26Å; L2177-F2194 HydrophobicContact CD1-CD1 4.39Å; L2177-F2194 HydrophobicContact CD1-CE1 4.18Å; V2190-F2194 HydrophobicContact CG1-CD2 4.06Å; V2190-F2194 PolarHBondContact O-N 3.43Å; V2190-F2194 VanDerWaalsContact O-N 3.16Å |
| 2195 | V | 80.6 | Confident | 74.3 | Confident | 3.6 Ų | 3.6 | 49.4 Ų | 49.4 | 2% | 0.022 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.9 | 163.3 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | F2095 I2097 V2113 L2114 L2147 | F2095-V2195 PolarHBondContact N-O 3.1Å; F2095-V2195 PolarHBondContact O-N 3.04Å; I2097-V2195 HydrophobicContact CD1-CG2 3.59Å; I2097-V2195 HydrophobicContact CG1-CG2 3.67Å; V2113-V2195 HydrophobicContact CG1-CG2 4.19Å; L2114-V2195 HydrophobicContact CD2-CG1 4.33Å; L2114-V2195 HydrophobicContact CD2-CG2 4.46Å; L2147-V2195 HydrophobicContact CD1-CG1 3.42Å; L2147-V2195 VanDerWaalsContact CD1-CG1 3.42Å; L2147-V2195 HydrophobicContact CG-CG1 3.98Å |
| 2196 | L | 84.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.4 | 177.9 | 172.4 | 69.3 | 0 | 0 | 0 | 110.1 | Y2092 W2094 H2148 V2155 I2159 T2198 | Y2092-L2196 HydrophobicContact CD2-CD1 4.14Å; Y2092-L2196 HydrophobicContact CG-CD1 4.49Å; W2094-L2196 HydrophobicContact CD2-CB 4.41Å; W2094-L2196 HydrophobicContact CD2-CD1 3.75Å; W2094-L2196 HydrophobicContact CE3-CB 3.92Å; W2094-L2196 HydrophobicContact CE3-CD1 4.13Å; W2094-L2196 HydrophobicContact CE3-CG 4.48Å; W2094-L2196 HydrophobicContact CG-CD1 4.17Å; W2094-L2196 HydrophobicContact CH2-CB 4.25Å; W2094-L2196 HydrophobicContact CH2-CD1 4.38Å; W2094-L2196 HydrophobicContact CH2-CD2 4.11Å; W2094-L2196 HydrophobicContact CH2-CG 4.47Å; W2094-L2196 HydrophobicContact CZ2-CD1 4Å; W2094-L2196 HydrophobicContact CZ2-CD2 4.18Å; W2094-L2196 HydrophobicContact CZ2-CG 4.48Å; W2094-L2196 HydrophobicContact CZ3-CB 3.85Å; W2094-L2196 HydrophobicContact CZ3-CD1 4.38Å; W2094-L2196 HydrophobicContact CZ3-CD2 4.41Å; W2094-L2196 HydrophobicContact CZ3-CG 4.41Å; H2148-L2196 HydrophobicContact CB-CB 4.21Å; H2148-L2196 HydrophobicContact CB-CD2 4.43Å; H2148-L2196 HydrophobicContact CB-CG 4.49Å; H2148-L2196 PolarHBondContact N-O 3.04Å; H2148-L2196 PolarHBondContact O-N 3.02Å; H2148-L2196 VanDerWaalsContact O-N 3.13Å; V2155-L2196 HydrophobicContact CG1-CD2 3.38Å; V2155-L2196 VanDerWaalsContact CG1-CD2 3.44Å; I2159-L2196 HydrophobicContact CD1-CD1 4.2Å; I2159-L2196 HydrophobicContact CD1-CD2 3.39Å; I2159-L2196 VanDerWaalsContact CD1-CD2 3.41Å; I2159-L2196 HydrophobicContact CD1-CG 4.44Å; I2159-L2196 HydrophobicContact CG1-CD2 4.18Å; L2196-T2198 HydrophobicContact CD1-CG2 4.27Å; L2196-T2198 HydrophobicContact CD2-CG2 3.79Å; L2196-T2198 HydrophobicContact CG-CG2 3.88Å |
| 2197 | L | 88.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120 | 167.2 | -174.1 | 67.4 | 0 | 0 | 0 | 108.7 | Y2092 R2093 F2095 L2121 M2145 R2146 L2147 F2213 F2214 L2217 | Y2092-L2197 CarbonylContact C-O 3.53Å; Y2092-L2197 WeakPolarHBondContact CA-O 3.26Å; R2093-L2197 PolarHBondContact N-O 3.23Å; R2093-L2197 PolarHBondContact O-N 3.21Å; F2095-L2197 HydrophobicContact CD2-CB 4.45Å; F2095-L2197 HydrophobicContact CE2-CB 3.86Å; F2095-L2197 HydrophobicContact CE2-CD2 4.2Å; L2121-L2197 HydrophobicContact CD1-CD1 4.19Å; M2145-L2197 HydrophobicContact CB-CD1 3.99Å; M2145-L2197 HydrophobicContact SD-CD2 4.29Å; R2146-L2197 WeakPolarHBondContact O-CA 3.39Å; L2147-L2197 HydrophobicContact CB-CD1 4.47Å; L2147-L2197 HydrophobicContact CD1-CB 4.5Å; L2147-L2197 HydrophobicContact CD1-CD1 4.1Å; L2197-F2213 HydrophobicContact CD2-CE1 4.08Å; L2197-F2214 HydrophobicContact CD2-CD1 4.34Å; L2197-F2214 HydrophobicContact CD2-CE1 3.96Å; L2197-L2217 HydrophobicContact CD2-CD1 3.56Å |
| 2198 | T | 89.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.7 | 173.3 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | M2145 R2146 H2148 L2158 L2196 H2200 | M2145-T2198 CarbonylContact C-O 3.51Å; M2145-T2198 WeakPolarHBondContact CA-O 3.38Å; M2145-T2198 WeakPolarHBondContact CB-O 3.43Å; R2146-T2198 PolarHBondContact N-O 3.05Å; R2146-T2198 PolarHBondContact O-N 3.15Å; R2146-T2198 PolarHBondContact O-OG1 3Å; H2148-T2198 PolarHBondContact CD2-OG1 3.21Å; H2148-T2198 PolarHBondContact NE2-OG1 2.92Å; L2158-T2198 HydrophobicContact CD2-CG2 4.11Å; L2196-T2198 HydrophobicContact CD1-CG2 4.27Å; L2196-T2198 HydrophobicContact CD2-CG2 3.79Å; L2196-T2198 HydrophobicContact CG-CG2 3.88Å; T2198-H2200 WeakPolarHBondContact CB-NE2 3.26Å; T2198-H2200 PolarHBondContact OG1-CD2 3.11Å; T2198-H2200 PolarHBondContact OG1-NE2 3.16Å |
| 2199 | V | 91 | Very high | 79.7 | Confident | 0.2 Ų | 0.2 | 43.6 Ų | 43.6 | 0% | 0.001 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.4 | 177 | -172.4 | 0 | 0 | 0 | 0 | 107.6 | C2089 V2090 A2091 F2143 M2145 I2209 F2214 | C2089-V2199 CarbonylContact C-O 3.5Å; C2089-V2199 WeakPolarHBondContact CA-O 3.38Å; V2090-V2199 HydrophobicContact CG2-CB 4.44Å; V2090-V2199 HydrophobicContact CG2-CG1 4.16Å; V2090-V2199 WeakPolarHBondContact CG2-O 3.31Å; V2090-V2199 PolarHBondContact N-O 3.01Å; A2091-V2199 HydrophobicContact CB-CB 4.01Å; A2091-V2199 HydrophobicContact CB-CG2 4.11Å; A2091-V2199 PolarHBondContact N-O 3.17Å; A2091-V2199 PolarHBondContact O-N 3.19Å; F2143-V2199 HydrophobicContact CB-CG1 3.92Å; F2143-V2199 HydrophobicContact CD1-CG1 4.12Å; F2143-V2199 HydrophobicContact CG-CG1 4.21Å; M2145-V2199 HydrophobicContact CG-CB 4.45Å; M2145-V2199 HydrophobicContact CG-CG1 4.31Å; M2145-V2199 HydrophobicContact CG-CG2 4.1Å; M2145-V2199 HydrophobicContact SD-CG2 4.46Å; V2199-I2209 HydrophobicContact CG1-CD1 4.32Å; V2199-I2209 HydrophobicContact CG2-CG2 4.34Å; V2199-F2214 HydrophobicContact CG2-CE1 4.2Å; V2199-F2214 HydrophobicContact CG2-CZ 3.88Å |
| 2200 | H | 91.4 | Very high | 80.9 | Confident | 4.2 Ų | 4.2 | 40.2 Ų | 40.2 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 135.7 | -177.1 | -61.8 | -105.8 | 0 | 0 | 0 | 110.1 | C2087 P2088 F2143 Y2144 L2158 T2198 | C2087-H2200 HydrophobicContact CB-CB 4.1Å; C2087-H2200 PolarHBondContact O-ND1 3.12Å; C2087-H2200 VanDerWaalsContact O-ND1 3.13Å; P2088-H2200 VanDerWaalsContact O-CA 3.3Å; P2088-H2200 WeakPolarHBondContact O-CA 3.42Å; F2143-H2200 CarbonylContact C-O 3.54Å; F2143-H2200 VanDerWaalsContact CA-O 3.26Å; F2143-H2200 WeakPolarHBondContact CA-O 3.29Å; Y2144-H2200 HydrophobicContact CD1-CB 3.99Å; Y2144-H2200 HydrophobicContact CD2-CB 3.91Å; Y2144-H2200 HydrophobicContact CE1-CB 3.56Å; Y2144-H2200 HydrophobicContact CE2-CB 3.43Å; Y2144-H2200 VanDerWaalsContact CE2-CB 3.45Å; Y2144-H2200 AromaticContact CE2-CD2 3.57Å; Y2144-H2200 AromaticContact CE2-CG 3.45Å; Y2144-H2200 VanDerWaalsContact CE2-CG 3.44Å; Y2144-H2200 HydrophobicContact CG-CB 4.16Å; Y2144-H2200 AromaticContact CZ-CG 3.59Å; Y2144-H2200 AromaticContact CZ-ND1 3.98Å; Y2144-H2200 PolarHBondContact N-O 3.13Å; Y2144-H2200 WeakPolarHBondContact O-CB 3.38Å; Y2144-H2200 PolarHBondContact O-N 3.23Å; Y2144-H2200 WeakPolarHBondContact OH-CB 3.24Å; Y2144-H2200 PolarHBondContact OH-ND1 3.09Å; L2158-H2200 VanDerWaalsContact CD2-CE1 3.47Å; L2158-H2200 WeakPolarHBondContact CD2-CE1 3.39Å; T2198-H2200 WeakPolarHBondContact CB-NE2 3.26Å; T2198-H2200 PolarHBondContact OG1-CD2 3.11Å; T2198-H2200 PolarHBondContact OG1-NE2 3.16Å |
| 2201 | G | 91.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -167.2 | 175.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P2088 V2090 | P2088-G2201 WeakPolarHBondContact CD-O 3.46Å; P2088-G2201 WeakPolarHBondContact CG-O 3.39Å; P2088-G2201 PolarHBondContact O-N 3.14Å; V2090-G2201 WeakPolarHBondContact CG1-O 3.16Å | ||
| 2202 | I | 87.9 | Confident | 82.9 | Confident | 33.8 Ų | 33.8 | 50.7 Ų | 50.7 | 17% | 0.173 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -89.2 | -42.9 | 174.1 | -60.8 | 167.4 | 0 | 0 | 0 | 109.7 | M2022 Q2025 K2026 L2029 | M2022-I2202 HydrophobicContact CG-CD1 4.47Å; M2022-I2202 HydrophobicContact CG-CG2 3.53Å; M2022-I2202 VanDerWaalsContact CG-CG2 3.44Å; M2022-I2202 WeakPolarHBondContact O-CD1 3.38Å; M2022-I2202 HydrophobicContact SD-CG2 3.8Å; Q2025-I2202 HydrophobicContact CB-CD1 3.67Å; Q2025-I2202 HydrophobicContact CB-CG1 4.01Å; K2026-I2202 VanDerWaalsContact CA-CD1 3.47Å; K2026-I2202 HydrophobicContact CB-CD1 3.7Å; K2026-I2202 HydrophobicContact CG-CD1 4.4Å; K2026-I2202 VanDerWaalsContact N-CD1 3.3Å; L2029-I2202 HydrophobicContact CD1-CD1 3.79Å; L2029-I2202 HydrophobicContact CD1-CG1 3.89Å |
| 2203 | D | 86.4 | Confident | 83.9 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -94.6 | 166.8 | -176.9 | -55.4 | -67.8 | 0 | 0 | 0 | 111.1 | C2141 F2143 | C2141-D2203 HydrophobicContact CB-CB 4.31Å; C2141-D2203 PolarHBondContact SG-OD2 3.36Å; F2143-D2203 WeakPolarHBondContact CE1-O 3.32Å |
| 2204 | E | 81.6 | Confident | 84.8 | Confident | 160.8 Ų | 160.8 | 42.5 Ų | 42.5 | 75% | 0.751 | 20% | 0.196 | S | C | * | . | P | Polyproline II helix | trans | -73 | 135.7 | 174.6 | -69.9 | -175.1 | 171.6 | 0 | 0 | 110.6 | ||
| 2205 | P | 83.1 | Confident | 85.2 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 10% | 0.097 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -67 | 136.1 | -177.9 | 22.7 | -29.3 | 0 | 0 | 0 | 111.9 | V2090 A2091 F2143 I2209 F2210 | V2090-P2205 HydrophobicContact CB-CG 4.39Å; V2090-P2205 HydrophobicContact CG2-CG 4.06Å; A2091-P2205 HydrophobicContact CB-CG 3.89Å; F2143-P2205 HydrophobicContact CE1-CB 4.14Å; F2143-P2205 HydrophobicContact CZ-CB 4.24Å; P2205-I2209 HydrophobicContact CB-CB 4.41Å; P2205-I2209 HydrophobicContact CB-CD1 3.53Å; P2205-I2209 VanDerWaalsContact CB-CD1 3.45Å; P2205-I2209 HydrophobicContact CB-CG1 4.41Å; P2205-F2210 HydrophobicContact CB-CE2 4.31Å; P2205-F2210 HydrophobicContact CG-CE2 3.83Å; P2205-F2210 HydrophobicContact CG-CZ 3.99Å |
| 2206 | G | 80.3 | Confident | 85.4 | Confident | 9.6 Ų | 9.6 | 47.3 Ų | 47.3 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 158.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D2137 E2208 I2209 | D2137-G2206 PolarHBondContact OD2-N 2.72Å; G2206-E2208 PolarHBondContact O-N 3.14Å; G2206-E2208 VanDerWaalsContact O-N 3.14Å; G2206-I2209 PolarHBondContact O-N 3.13Å; G2206-I2209 VanDerWaalsContact O-N 3.12Å |
| 2207 | R | 82 | Confident | 85.5 | Confident | 191.6 Ų | 191.6 | 47.3 Ų | 47.3 | 72% | 0.723 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58 | -29.5 | -178.5 | -65.6 | -171.4 | -175.2 | -174.4 | 3 | 113.2 | I2209 F2210 E2211 | R2207-I2209 PolarHBondContact O-N 3.02Å; R2207-F2210 PolarHBondContact O-N 3.12Å; R2207-E2211 HydrophobicContact CB-CG 4.44Å; R2207-E2211 WeakPolarHBondContact O-CB 3.41Å; R2207-E2211 PolarHBondContact O-N 3.11Å |
| 2208 | E | 84.8 | Confident | 85.4 | Confident | 40.6 Ų | 40.6 | 50.3 Ų | 50.3 | 19% | 0.19 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -50.2 | -39 | 175.4 | -23.3 | 171.9 | -148 | 0 | 0 | 113.6 | Y2135 D2137 S2138 G2206 F2210 E2212 F2213 | Y2135-E2208 VanDerWaalsContact CE1-OE1 3.23Å; Y2135-E2208 WeakPolarHBondContact CE1-OE1 3.43Å; Y2135-E2208 VanDerWaalsContact CZ-OE1 3.27Å; Y2135-E2208 PolarHBondContact OH-OE1 2.68Å; Y2135-E2208 PolarHBondContact OH-OE2 3.07Å; Y2135-E2208 VanDerWaalsContact OH-OE2 3.11Å; D2137-E2208 WeakPolarHBondContact CA-OE1 3.45Å; D2137-E2208 HydrophobicContact CB-CG 4.49Å; D2137-E2208 WeakPolarHBondContact CB-OE1 3.29Å; S2138-E2208 WeakPolarHBondContact CB-OE1 3.44Å; S2138-E2208 WeakPolarHBondContact CB-OE2 3.42Å; S2138-E2208 PolarHBondContact N-OE1 3.22Å; S2138-E2208 PolarHBondContact N-OE2 3.17Å; S2138-E2208 PolarHBondContact OG-OE1 3.01Å; S2138-E2208 PolarHBondContact OG-OE2 3.28Å; G2206-E2208 PolarHBondContact O-N 3.14Å; G2206-E2208 VanDerWaalsContact O-N 3.14Å; E2208-F2210 VanDerWaalsContact C-N 3.3Å; E2208-F2210 PolarHBondContact O-N 3.3Å; E2208-E2212 WeakPolarHBondContact O-CA 3.37Å; E2208-E2212 WeakPolarHBondContact O-CB 3.31Å; E2208-E2212 PolarHBondContact O-N 3.08Å; E2208-F2213 PolarHBondContact O-N 3.16Å |
| 2209 | I | 83.5 | Confident | 85.2 | Confident | 1.4 Ų | 1.4 | 53.6 Ų | 53.6 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -63.8 | -40.7 | 179.4 | -69.7 | 173.7 | 0 | 0 | 0 | 110.4 | Y2135 F2143 V2199 P2205 G2206 R2207 F2213 F2214 | Y2135-I2209 HydrophobicContact CD1-CD1 4.09Å; Y2135-I2209 HydrophobicContact CD1-CG1 4.23Å; Y2135-I2209 HydrophobicContact CE1-CD1 4.12Å; Y2135-I2209 HydrophobicContact CE1-CG1 3.9Å; F2143-I2209 HydrophobicContact CD2-CD1 4.2Å; F2143-I2209 HydrophobicContact CE2-CD1 4.38Å; F2143-I2209 HydrophobicContact CG-CD1 4.42Å; V2199-I2209 HydrophobicContact CG1-CD1 4.32Å; V2199-I2209 HydrophobicContact CG2-CG2 4.34Å; P2205-I2209 HydrophobicContact CB-CB 4.41Å; P2205-I2209 HydrophobicContact CB-CD1 3.53Å; P2205-I2209 VanDerWaalsContact CB-CD1 3.45Å; P2205-I2209 HydrophobicContact CB-CG1 4.41Å; G2206-I2209 PolarHBondContact O-N 3.13Å; G2206-I2209 VanDerWaalsContact O-N 3.12Å; R2207-I2209 PolarHBondContact O-N 3.02Å; I2209-F2213 WeakPolarHBondContact O-CB 3.24Å; I2209-F2214 HydrophobicContact CG2-CE1 4.03Å; I2209-F2214 HydrophobicContact CG2-CE2 4.01Å; I2209-F2214 HydrophobicContact CG2-CZ 3.73Å; I2209-F2214 WeakPolarHBondContact O-CG 3.39Å; I2209-F2214 PolarHBondContact O-N 3.21Å |
| 2210 | F | 82.2 | Confident | 84.9 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -84.4 | -38.8 | -177.8 | -60.3 | -79.1 | 0 | 0 | 0 | 113.4 | A2091 P2205 R2207 E2208 F2214 P2215 | A2091-F2210 HydrophobicContact CB-CE1 3.84Å; A2091-F2210 HydrophobicContact CB-CZ 3.59Å; P2205-F2210 HydrophobicContact CB-CE2 4.31Å; P2205-F2210 HydrophobicContact CG-CE2 3.83Å; P2205-F2210 HydrophobicContact CG-CZ 3.99Å; R2207-F2210 PolarHBondContact O-N 3.12Å; E2208-F2210 VanDerWaalsContact C-N 3.3Å; E2208-F2210 PolarHBondContact O-N 3.3Å; F2210-F2214 HydrophobicContact CD1-CD2 4.03Å; F2210-F2214 AromaticContact CD1-CE2 3.76Å; F2210-F2214 HydrophobicContact CD1-CE2 3.76Å; F2210-F2214 AromaticContact CE1-CE2 3.98Å; F2210-F2214 HydrophobicContact CE1-CE2 4.01Å; F2210-P2215 VanDerWaalsContact O-CD 3.24Å; F2210-P2215 WeakPolarHBondContact O-CD 3.38Å |
| 2211 | E | 81.7 | Confident | 84.6 | Confident | 130.4 Ų | 130.4 | 57.2 Ų | 57.2 | 61% | 0.609 | 28% | 0.282 | S | S | * | . | I | π-helix | trans | -92.1 | -25.1 | -171.4 | -66.4 | -179.7 | -178.6 | 0 | 0 | 112.8 | R2207 P2215 | R2207-E2211 HydrophobicContact CB-CG 4.44Å; R2207-E2211 WeakPolarHBondContact O-CB 3.41Å; R2207-E2211 PolarHBondContact O-N 3.11Å; E2211-P2215 WeakPolarHBondContact O-CG 3.3Å |
| 2212 | E | 82.9 | Confident | 84.3 | Confident | 135.2 Ų | 135.2 | 58.6 Ų | 58.6 | 63% | 0.632 | 29% | 0.29 | S | S | * | . | I | π-helix | trans | -118.5 | -52.8 | -178 | -56.9 | -175.5 | 177.4 | 0 | 0 | 112.1 | E2208 P2215 A2216 | E2208-E2212 WeakPolarHBondContact O-CA 3.37Å; E2208-E2212 WeakPolarHBondContact O-CB 3.31Å; E2208-E2212 PolarHBondContact O-N 3.08Å; E2212-P2215 WeakPolarHBondContact O-CD 3.14Å; E2212-A2216 VanDerWaalsContact O-CB 3.23Å; E2212-A2216 WeakPolarHBondContact O-CB 3.35Å; E2212-A2216 PolarHBondContact O-N 3.13Å |
| 2213 | F | 84.3 | Confident | 84.3 | Confident | 19.2 Ų | 19.2 | 61 Ų | 61 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -72 | -52.1 | -169.8 | -173.6 | -99.8 | 0 | 0 | 0 | 113.7 | I2120 L2121 F2124 M2145 L2197 E2208 I2209 A2216 L2217 | I2120-F2213 HydrophobicContact CG2-CE2 4.46Å; L2121-F2213 HydrophobicContact CD2-CE1 4.14Å; L2121-F2213 HydrophobicContact CD2-CE2 4.46Å; L2121-F2213 HydrophobicContact CD2-CZ 3.5Å; L2121-F2213 VanDerWaalsContact CD2-CZ 3.48Å; F2124-F2213 HydrophobicContact CD2-CE2 4.16Å; F2124-F2213 HydrophobicContact CD2-CZ 4.4Å; F2124-F2213 AromaticContact CE2-CE2 3.69Å; F2124-F2213 HydrophobicContact CE2-CE2 3.69Å; F2124-F2213 HydrophobicContact CE2-CZ 4.45Å; F2124-F2213 HydrophobicContact CZ-CE2 4.32Å; M2145-F2213 HydrophobicContact CE-CD1 4.44Å; M2145-F2213 HydrophobicContact CE-CE1 3.86Å; M2145-F2213 HydrophobicContact CE-CE2 4.38Å; M2145-F2213 HydrophobicContact CE-CZ 3.64Å; M2145-F2213 HydrophobicContact SD-CD1 4.26Å; M2145-F2213 HydrophobicContact SD-CE1 3.4Å; M2145-F2213 WeakPolarHBondContact SD-CE1 3.42Å; M2145-F2213 HydrophobicContact SD-CZ 3.76Å; L2197-F2213 HydrophobicContact CD2-CE1 4.08Å; E2208-F2213 PolarHBondContact O-N 3.16Å; I2209-F2213 WeakPolarHBondContact O-CB 3.24Å; F2213-A2216 PolarHBondContact O-N 3.2Å; F2213-L2217 HydrophobicContact CD1-CD1 3.99Å; F2213-L2217 HydrophobicContact CE1-CD1 3.52Å; F2213-L2217 VanDerWaalsContact CE1-CD1 3.48Å; F2213-L2217 HydrophobicContact CE1-CG 4.3Å; F2213-L2217 HydrophobicContact CZ-CD1 4.07Å; F2213-L2217 HydrophobicContact CZ-CG 4.47Å; F2213-L2217 PolarHBondContact O-N 2.99Å |
| 2214 | F | 87.8 | Confident | 84.2 | Confident | 5.2 Ų | 5.2 | 58.6 Ų | 58.6 | 2% | 0.023 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -43 | 176 | -66.2 | -25.2 | 0 | 0 | 0 | 112.8 | R2093 F2095 L2197 V2199 I2209 F2210 A2216 L2217 Q2218 | R2093-F2214 HydrophobicContact CB-CD1 3.86Å; R2093-F2214 HydrophobicContact CB-CD2 3.86Å; R2093-F2214 HydrophobicContact CB-CE1 3.82Å; R2093-F2214 HydrophobicContact CB-CE2 3.82Å; R2093-F2214 HydrophobicContact CB-CG 3.89Å; R2093-F2214 HydrophobicContact CB-CZ 3.79Å; R2093-F2214 HydrophobicContact CG-CB 4.18Å; R2093-F2214 HydrophobicContact CG-CD1 4.25Å; R2093-F2214 HydrophobicContact CG-CD2 4.03Å; R2093-F2214 HydrophobicContact CG-CE2 4.47Å; R2093-F2214 HydrophobicContact CG-CG 3.91Å; F2095-F2214 HydrophobicContact CZ-CD1 4.48Å; L2197-F2214 HydrophobicContact CD2-CD1 4.34Å; L2197-F2214 HydrophobicContact CD2-CE1 3.96Å; V2199-F2214 HydrophobicContact CG2-CE1 4.2Å; V2199-F2214 HydrophobicContact CG2-CZ 3.88Å; I2209-F2214 HydrophobicContact CG2-CE1 4.03Å; I2209-F2214 HydrophobicContact CG2-CE2 4.01Å; I2209-F2214 HydrophobicContact CG2-CZ 3.73Å; I2209-F2214 WeakPolarHBondContact O-CG 3.39Å; I2209-F2214 PolarHBondContact O-N 3.21Å; F2210-F2214 HydrophobicContact CD1-CD2 4.03Å; F2210-F2214 AromaticContact CD1-CE2 3.76Å; F2210-F2214 HydrophobicContact CD1-CE2 3.76Å; F2210-F2214 AromaticContact CE1-CE2 3.98Å; F2210-F2214 HydrophobicContact CE1-CE2 4.01Å; F2214-A2216 VanDerWaalsContact C-N 3.34Å; F2214-A2216 PolarHBondContact O-N 3.2Å; F2214-L2217 PolarHBondContact O-N 3.19Å; F2214-Q2218 PolarHBondContact O-N 3.14Å |
| 2215 | P | 84.5 | Confident | 84.5 | Confident | 62.4 Ų | 62.4 | 51.3 Ų | 51.3 | 41% | 0.405 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 172.7 | -29 | 39.9 | 0 | 0 | 0 | 113.5 | F2210 E2211 E2212 Q2218 S2219 | F2210-P2215 VanDerWaalsContact O-CD 3.24Å; F2210-P2215 WeakPolarHBondContact O-CD 3.38Å; E2211-P2215 WeakPolarHBondContact O-CG 3.3Å; E2212-P2215 WeakPolarHBondContact O-CD 3.14Å; P2215-Q2218 PolarHBondContact O-N 3.21Å; P2215-S2219 WeakPolarHBondContact O-CB 3.33Å; P2215-S2219 PolarHBondContact O-N 3.16Å |
| 2216 | A | 84.9 | Confident | 84.8 | Confident | 46.8 Ų | 46.8 | 51.1 Ų | 51.1 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I2120 E2212 F2213 F2214 S2219 R2220 | I2120-A2216 WeakPolarHBondContact CD1-O 3.39Å; E2212-A2216 VanDerWaalsContact O-CB 3.23Å; E2212-A2216 WeakPolarHBondContact O-CB 3.35Å; E2212-A2216 PolarHBondContact O-N 3.13Å; F2213-A2216 PolarHBondContact O-N 3.2Å; F2214-A2216 VanDerWaalsContact C-N 3.34Å; F2214-A2216 PolarHBondContact O-N 3.2Å; A2216-S2219 PolarHBondContact O-N 3.08Å; A2216-R2220 PolarHBondContact O-N 3.29Å; A2216-R2220 VanDerWaalsContact O-N 3.08Å |
| 2217 | L | 85.8 | Confident | 85 | Confident | 0.2 Ų | 0.2 | 53.1 Ų | 53.1 | 0% | 0.001 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 173.4 | -73.5 | 174.2 | 0 | 0 | 0 | 111.8 | F2095 V2117 I2120 L2121 L2197 F2213 F2214 S2219 R2220 I2221 | F2095-L2217 HydrophobicContact CE1-CB 3.89Å; F2095-L2217 HydrophobicContact CE2-CD1 4.25Å; F2095-L2217 HydrophobicContact CZ-CB 3.75Å; F2095-L2217 HydrophobicContact CZ-CD1 3.83Å; F2095-L2217 HydrophobicContact CZ-CG 4.47Å; V2117-L2217 HydrophobicContact CG1-CD2 4.33Å; I2120-L2217 HydrophobicContact CB-CD2 3.77Å; I2120-L2217 HydrophobicContact CD1-CD2 4.02Å; I2120-L2217 HydrophobicContact CG1-CD2 4.45Å; I2120-L2217 HydrophobicContact CG2-CD2 3.76Å; L2121-L2217 HydrophobicContact CD2-CD1 4.32Å; L2121-L2217 HydrophobicContact CD2-CD2 4.17Å; L2121-L2217 HydrophobicContact CG-CD2 4.27Å; L2197-L2217 HydrophobicContact CD2-CD1 3.56Å; F2213-L2217 HydrophobicContact CD1-CD1 3.99Å; F2213-L2217 HydrophobicContact CE1-CD1 3.52Å; F2213-L2217 VanDerWaalsContact CE1-CD1 3.48Å; F2213-L2217 HydrophobicContact CE1-CG 4.3Å; F2213-L2217 HydrophobicContact CZ-CD1 4.07Å; F2213-L2217 HydrophobicContact CZ-CG 4.47Å; F2213-L2217 PolarHBondContact O-N 2.99Å; F2214-L2217 PolarHBondContact O-N 3.19Å; L2217-S2219 VanDerWaalsContact C-N 3.33Å; L2217-S2219 PolarHBondContact O-N 3.08Å; L2217-R2220 PolarHBondContact O-N 3.17Å; L2217-I2221 WeakPolarHBondContact O-CG1 3.45Å; L2217-I2221 PolarHBondContact O-N 3.07Å; L2217-I2221 VanDerWaalsContact O-N 3.08Å |
| 2218 | Q | 85.8 | Confident | 85.3 | Confident | 63.2 Ų | 63.2 | 45.6 Ų | 45.6 | 30% | 0.295 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.5 | -42.6 | 176.7 | -174.3 | 62 | 54.5 | 0 | 0 | 111.4 | F2095 F2214 P2215 R2220 I2221 D2222 | F2095-Q2218 HydrophobicContact CE1-CB 4.37Å; F2214-Q2218 PolarHBondContact O-N 3.14Å; P2215-Q2218 PolarHBondContact O-N 3.21Å; Q2218-R2220 VanDerWaalsContact C-N 3.28Å; Q2218-R2220 PolarHBondContact O-N 3.05Å; Q2218-I2221 PolarHBondContact O-N 3.08Å; Q2218-D2222 PolarHBondContact NE2-OD1 2.97Å; Q2218-D2222 WeakPolarHBondContact O-CB 3.39Å; Q2218-D2222 PolarHBondContact O-N 3.01Å |
| 2219 | S | 85.1 | Confident | 85.4 | Confident | 69.4 Ų | 69.4 | 43.8 Ų | 43.8 | 49% | 0.485 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.4 | -40.7 | 176.7 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | P2215 A2216 L2217 D2222 E2223 | P2215-S2219 WeakPolarHBondContact O-CB 3.33Å; P2215-S2219 PolarHBondContact O-N 3.16Å; A2216-S2219 PolarHBondContact O-N 3.08Å; L2217-S2219 VanDerWaalsContact C-N 3.33Å; L2217-S2219 PolarHBondContact O-N 3.08Å; S2219-D2222 WeakPolarHBondContact O-CB 3.4Å; S2219-D2222 PolarHBondContact O-N 3.09Å; S2219-E2223 WeakPolarHBondContact O-CB 3.39Å; S2219-E2223 WeakPolarHBondContact O-CG 3.31Å; S2219-E2223 PolarHBondContact O-N 2.97Å |
| 2220 | R | 84.6 | Confident | 85.6 | Confident | 79.2 Ų | 79.2 | 45.1 Ų | 45.1 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.5 | -35.3 | 178.3 | -173.8 | 59.1 | 178.3 | 160.5 | 3.8 | 113.3 | A2116 T2119 I2120 A2216 L2217 Q2218 E2223 S2224 | A2116-R2220 HydrophobicContact CB-CG 4.32Å; A2116-R2220 WeakPolarHBondContact O-CG 3.23Å; T2119-R2220 PolarHBondContact OG1-NE 3.28Å; I2120-R2220 HydrophobicContact CD1-CB 3.39Å; I2120-R2220 VanDerWaalsContact CD1-CB 3.41Å; I2120-R2220 HydrophobicContact CD1-CG 3.73Å; I2120-R2220 HydrophobicContact CG1-CB 4.37Å; I2120-R2220 HydrophobicContact CG1-CG 4.18Å; A2216-R2220 PolarHBondContact O-N 3.29Å; A2216-R2220 VanDerWaalsContact O-N 3.08Å; L2217-R2220 PolarHBondContact O-N 3.17Å; Q2218-R2220 VanDerWaalsContact C-N 3.28Å; Q2218-R2220 PolarHBondContact O-N 3.05Å; R2220-E2223 WeakPolarHBondContact CD-OE2 3.36Å; R2220-E2223 IonicContact CZ-OE2 3.33Å; R2220-E2223 IonicContact NH1-OE1 3.34Å; R2220-E2223 PolarHBondContact NH1-OE1 2.8Å; R2220-E2223 IonicContact NH1-OE2 3.39Å; R2220-E2223 PolarHBondContact NH1-OE2 3.09Å; R2220-S2224 PolarHBondContact O-N 3.11Å; R2220-S2224 VanDerWaalsContact O-N 3.12Å; R2220-S2224 PolarHBondContact O-OG 3.28Å |
| 2221 | I | 85 | Confident | 85.8 | Confident | 0.6 Ų | 0.6 | 45.9 Ų | 45.9 | 0% | 0.003 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -48.6 | 171.4 | -65.3 | 167.8 | 0 | 0 | 0 | 109.1 | F2095 L2101 V2113 V2117 L2217 Q2218 E2223 S2224 I2225 | F2095-I2221 HydrophobicContact CB-CD1 3.89Å; F2095-I2221 HydrophobicContact CD1-CD1 3.59Å; F2095-I2221 HydrophobicContact CE1-CD1 4.34Å; F2095-I2221 HydrophobicContact CG-CD1 3.87Å; L2101-I2221 HydrophobicContact CD1-CG2 4.26Å; V2113-I2221 HydrophobicContact CG1-CD1 4.34Å; V2113-I2221 HydrophobicContact CG1-CG1 4.4Å; V2117-I2221 HydrophobicContact CG2-CD1 3.7Å; V2117-I2221 HydrophobicContact CG2-CG1 3.82Å; L2217-I2221 WeakPolarHBondContact O-CG1 3.45Å; L2217-I2221 PolarHBondContact O-N 3.07Å; L2217-I2221 VanDerWaalsContact O-N 3.08Å; Q2218-I2221 PolarHBondContact O-N 3.08Å; I2221-E2223 VanDerWaalsContact C-N 3.32Å; I2221-E2223 PolarHBondContact O-N 3.13Å; I2221-S2224 WeakPolarHBondContact O-CB 3.32Å; I2221-S2224 PolarHBondContact O-N 3.08Å; I2221-S2224 VanDerWaalsContact O-N 3.07Å; I2221-S2224 PolarHBondContact O-OG 2.9Å; I2221-I2225 HydrophobicContact CG2-CD1 4.04Å; I2221-I2225 HydrophobicContact CG2-CG1 4.45Å; I2221-I2225 WeakPolarHBondContact O-CG1 3.45Å; I2221-I2225 PolarHBondContact O-N 3.17Å |
| 2222 | D | 86.8 | Confident | 85.9 | Confident | 29.4 Ų | 29.4 | 40.8 Ų | 40.8 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -43.2 | 178.1 | -79.6 | 18.3 | 0 | 0 | 0 | 111.9 | Q2218 S2219 S2224 I2225 L2226 F2248 R2405 | Q2218-D2222 PolarHBondContact NE2-OD1 2.97Å; Q2218-D2222 WeakPolarHBondContact O-CB 3.39Å; Q2218-D2222 PolarHBondContact O-N 3.01Å; S2219-D2222 WeakPolarHBondContact O-CB 3.4Å; S2219-D2222 PolarHBondContact O-N 3.09Å; D2222-S2224 VanDerWaalsContact C-N 3.32Å; D2222-S2224 PolarHBondContact O-N 3.12Å; D2222-I2225 PolarHBondContact O-N 2.91Å; D2222-L2226 WeakPolarHBondContact O-CB 3.36Å; D2222-L2226 PolarHBondContact O-N 3.1Å; D2222-F2248 HydrophobicContact CB-CE2 3.81Å; D2222-F2248 HydrophobicContact CB-CZ 4.41Å; D2222-F2248 VanDerWaalsContact O-CZ 3.28Å; D2222-F2248 WeakPolarHBondContact O-CZ 3.32Å; D2222-R2405 IonicContact OD2-CZ 3.45Å; D2222-R2405 IonicContact OD2-NH1 3.18Å; D2222-R2405 PolarHBondContact OD2-NH1 3.09Å; D2222-R2405 IonicContact OD2-NH2 3.47Å |
| 2223 | E | 86.3 | Confident | 85.9 | Confident | 85.6 Ų | 85.6 | 34.6 Ų | 34.6 | 40% | 0.4 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.5 | -42 | 174.3 | -129 | -177.7 | -177.5 | 0 | 0 | 111.9 | S2219 R2220 I2221 I2225 L2226 D2227 | S2219-E2223 WeakPolarHBondContact O-CB 3.39Å; S2219-E2223 WeakPolarHBondContact O-CG 3.31Å; S2219-E2223 PolarHBondContact O-N 2.97Å; R2220-E2223 WeakPolarHBondContact CD-OE2 3.36Å; R2220-E2223 IonicContact CZ-OE2 3.33Å; R2220-E2223 IonicContact NH1-OE1 3.34Å; R2220-E2223 PolarHBondContact NH1-OE1 2.8Å; R2220-E2223 IonicContact NH1-OE2 3.39Å; R2220-E2223 PolarHBondContact NH1-OE2 3.09Å; I2221-E2223 VanDerWaalsContact C-N 3.32Å; I2221-E2223 PolarHBondContact O-N 3.13Å; E2223-I2225 PolarHBondContact O-N 3.2Å; E2223-L2226 WeakPolarHBondContact O-CB 3.45Å; E2223-L2226 PolarHBondContact O-N 3.04Å; E2223-D2227 WeakPolarHBondContact O-CB 3.38Å; E2223-D2227 PolarHBondContact O-N 3.19Å |
| 2224 | S | 85.2 | Confident | 85.8 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 13% | 0.133 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.6 | -36.7 | 178.5 | -42.5 | 0 | 0 | 0 | 0 | 112 | L2101 A2116 R2220 I2221 D2222 D2227 V2228 | L2101-S2224 WeakPolarHBondContact CD1-OG 3.44Å; A2116-S2224 VanDerWaalsContact CB-OG 3.24Å; A2116-S2224 WeakPolarHBondContact CB-OG 3.3Å; R2220-S2224 PolarHBondContact O-N 3.11Å; R2220-S2224 VanDerWaalsContact O-N 3.12Å; R2220-S2224 PolarHBondContact O-OG 3.28Å; I2221-S2224 WeakPolarHBondContact O-CB 3.32Å; I2221-S2224 PolarHBondContact O-N 3.08Å; I2221-S2224 VanDerWaalsContact O-N 3.07Å; I2221-S2224 PolarHBondContact O-OG 2.9Å; D2222-S2224 VanDerWaalsContact C-N 3.32Å; D2222-S2224 PolarHBondContact O-N 3.12Å; S2224-D2227 PolarHBondContact O-N 2.91Å; S2224-V2228 WeakPolarHBondContact O-CG2 3.41Å; S2224-V2228 PolarHBondContact O-N 3.09Å; S2224-V2228 VanDerWaalsContact O-N 3.1Å |
| 2225 | I | 87.7 | Confident | 85.6 | Confident | 6.8 Ų | 6.8 | 46.5 Ų | 46.5 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 172.8 | -62.1 | 167.8 | 0 | 0 | 0 | 109.7 | H2098 L2101 I2221 D2222 E2223 D2227 V2228 L2229 F2248 | H2098-I2225 HydrophobicContact CB-CD1 3.53Å; H2098-I2225 HydrophobicContact CB-CG1 3.85Å; L2101-I2225 HydrophobicContact CD1-CD1 4.38Å; L2101-I2225 HydrophobicContact CD1-CG1 3.5Å; L2101-I2225 VanDerWaalsContact CD1-CG1 3.49Å; L2101-I2225 HydrophobicContact CD2-CG1 4.49Å; L2101-I2225 HydrophobicContact CG-CG1 3.95Å; I2221-I2225 HydrophobicContact CG2-CD1 4.04Å; I2221-I2225 HydrophobicContact CG2-CG1 4.45Å; I2221-I2225 WeakPolarHBondContact O-CG1 3.45Å; I2221-I2225 PolarHBondContact O-N 3.17Å; D2222-I2225 PolarHBondContact O-N 2.91Å; E2223-I2225 PolarHBondContact O-N 3.2Å; I2225-D2227 VanDerWaalsContact C-N 3.35Å; I2225-D2227 PolarHBondContact O-N 3.17Å; I2225-V2228 PolarHBondContact O-N 3.29Å; I2225-L2229 HydrophobicContact CG2-CD1 4.01Å; I2225-L2229 HydrophobicContact CG2-CG 4.37Å; I2225-L2229 WeakPolarHBondContact O-CG 3.31Å; I2225-L2229 PolarHBondContact O-N 3.03Å; I2225-F2248 HydrophobicContact CB-CD2 4.32Å; I2225-F2248 HydrophobicContact CB-CE1 4.3Å; I2225-F2248 HydrophobicContact CB-CE2 3.95Å; I2225-F2248 HydrophobicContact CB-CZ 3.93Å; I2225-F2248 HydrophobicContact CD1-CD2 4.02Å; I2225-F2248 HydrophobicContact CD1-CE2 4.11Å; I2225-F2248 HydrophobicContact CG2-CD1 3.76Å; I2225-F2248 HydrophobicContact CG2-CD2 3.97Å; I2225-F2248 HydrophobicContact CG2-CE1 3.79Å; I2225-F2248 HydrophobicContact CG2-CE2 4Å; I2225-F2248 HydrophobicContact CG2-CG 3.85Å; I2225-F2248 HydrophobicContact CG2-CZ 3.91Å |
| 2226 | L | 89.1 | Confident | 85.6 | Confident | 10.4 Ų | 10.4 | 47 Ų | 47 | 5% | 0.054 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 178.7 | -178.9 | 62.8 | 0 | 0 | 0 | 111.3 | D2222 E2223 V2228 L2229 L2230 F2248 L2330 R2405 | D2222-L2226 WeakPolarHBondContact O-CB 3.36Å; D2222-L2226 PolarHBondContact O-N 3.1Å; E2223-L2226 WeakPolarHBondContact O-CB 3.45Å; E2223-L2226 PolarHBondContact O-N 3.04Å; L2226-V2228 VanDerWaalsContact C-N 3.34Å; L2226-V2228 PolarHBondContact O-N 2.99Å; L2226-L2229 PolarHBondContact O-N 3.06Å; L2226-L2230 HydrophobicContact CD1-CD1 4.2Å; L2226-L2230 HydrophobicContact CD1-CG 4.15Å; L2226-L2230 HydrophobicContact CG-CD1 3.95Å; L2226-L2230 HydrophobicContact CG-CG 4.32Å; L2226-L2230 WeakPolarHBondContact O-CB 3.42Å; L2226-L2230 VanDerWaalsContact O-CG 3.3Å; L2226-L2230 WeakPolarHBondContact O-CG 3.39Å; L2226-L2230 PolarHBondContact O-N 2.95Å; L2226-F2248 HydrophobicContact CB-CE1 4.32Å; L2226-F2248 HydrophobicContact CB-CZ 4.14Å; L2226-L2330 HydrophobicContact CD1-CB 3.9Å; L2226-R2405 HydrophobicContact CD1-CB 4.24Å |
| 2227 | D | 86 | Confident | 85.3 | Confident | 52.6 Ų | 52.6 | 48.5 Ų | 48.5 | 28% | 0.281 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 177.1 | -84.2 | -12.4 | 0 | 0 | 0 | 111.9 | E2223 S2224 I2225 L2230 L2231 K2328 | E2223-D2227 WeakPolarHBondContact O-CB 3.38Å; E2223-D2227 PolarHBondContact O-N 3.19Å; S2224-D2227 PolarHBondContact O-N 2.91Å; I2225-D2227 VanDerWaalsContact C-N 3.35Å; I2225-D2227 PolarHBondContact O-N 3.17Å; D2227-L2230 PolarHBondContact O-N 3.2Å; D2227-L2231 VanDerWaalsContact O-CB 3.3Å; D2227-L2231 WeakPolarHBondContact O-CB 3.33Å; D2227-L2231 PolarHBondContact O-N 3.18Å; D2227-K2328 VanDerWaalsContact OD1-CD 3.3Å; D2227-K2328 WeakPolarHBondContact OD1-CD 3.36Å; D2227-K2328 VanDerWaalsContact OD1-CE 3.26Å; D2227-K2328 WeakPolarHBondContact OD1-CE 3.28Å; D2227-K2328 IonicContact OD1-NZ 3.61Å; D2227-K2328 PolarHBondContact OD1-NZ 3.19Å; D2227-K2328 IonicContact OD2-NZ 3.34Å; D2227-K2328 PolarHBondContact OD2-NZ 3.15Å |
| 2228 | V | 86.2 | Confident | 85.2 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 21% | 0.212 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 176.6 | 173 | 0 | 0 | 0 | 0 | 111.7 | R2100 L2101 L2112 S2224 I2225 L2226 L2231 A2232 | R2100-V2228 HydrophobicContact CB-CG1 3.91Å; L2101-V2228 HydrophobicContact CD2-CB 4.39Å; L2101-V2228 HydrophobicContact CD2-CG2 3.76Å; L2112-V2228 HydrophobicContact CD1-CG2 3.96Å; S2224-V2228 WeakPolarHBondContact O-CG2 3.41Å; S2224-V2228 PolarHBondContact O-N 3.09Å; S2224-V2228 VanDerWaalsContact O-N 3.1Å; I2225-V2228 PolarHBondContact O-N 3.29Å; L2226-V2228 VanDerWaalsContact C-N 3.34Å; L2226-V2228 PolarHBondContact O-N 2.99Å; V2228-L2231 PolarHBondContact O-N 2.98Å; V2228-A2232 VanDerWaalsContact O-CB 3.23Å; V2228-A2232 WeakPolarHBondContact O-CB 3.31Å; V2228-A2232 PolarHBondContact O-N 3.13Å |
| 2229 | L | 87.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 176.7 | -75.7 | 175.7 | 0 | 0 | 0 | 111.9 | R2100 I2225 L2226 L2231 A2232 F2233 L2239 D2245 F2248 L2249 | R2100-L2229 HydrophobicContact CG-CD2 4.15Å; I2225-L2229 HydrophobicContact CG2-CD1 4.01Å; I2225-L2229 HydrophobicContact CG2-CG 4.37Å; I2225-L2229 WeakPolarHBondContact O-CG 3.31Å; I2225-L2229 PolarHBondContact O-N 3.03Å; L2226-L2229 PolarHBondContact O-N 3.06Å; L2229-L2231 VanDerWaalsContact C-N 3.34Å; L2229-L2231 PolarHBondContact O-N 3.4Å; L2229-A2232 PolarHBondContact O-N 3.18Å; L2229-F2233 VanDerWaalsContact O-CB 3.28Å; L2229-F2233 WeakPolarHBondContact O-CB 3.34Å; L2229-F2233 PolarHBondContact O-N 3.12Å; L2229-L2239 HydrophobicContact CD2-CD2 4.44Å; L2229-D2245 HydrophobicContact CD2-CB 4.41Å; L2229-F2248 HydrophobicContact CD1-CD1 3.62Å; L2229-F2248 HydrophobicContact CD1-CE1 3.85Å; L2229-L2249 HydrophobicContact CD1-CD2 4.43Å |
| 2230 | L | 88 | Confident | 85.4 | Confident | 28.8 Ų | 28.8 | 54.8 Ų | 54.8 | 15% | 0.151 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.7 | -71 | 173.7 | 0 | 0 | 0 | 111.4 | L2226 D2227 F2233 S2234 R2322 K2328 G2329 L2330 | L2226-L2230 HydrophobicContact CD1-CD1 4.2Å; L2226-L2230 HydrophobicContact CD1-CG 4.15Å; L2226-L2230 HydrophobicContact CG-CD1 3.95Å; L2226-L2230 HydrophobicContact CG-CG 4.32Å; L2226-L2230 WeakPolarHBondContact O-CB 3.42Å; L2226-L2230 VanDerWaalsContact O-CG 3.3Å; L2226-L2230 WeakPolarHBondContact O-CG 3.39Å; L2226-L2230 PolarHBondContact O-N 2.95Å; D2227-L2230 PolarHBondContact O-N 3.2Å; L2230-F2233 PolarHBondContact O-N 3.16Å; L2230-S2234 WeakPolarHBondContact O-CB 3.28Å; L2230-S2234 PolarHBondContact O-N 3.11Å; L2230-S2234 PolarHBondContact O-OG 3.07Å; L2230-R2322 HydrophobicContact CD2-CG 4.24Å; L2230-K2328 HydrophobicContact CD1-CB 4.05Å; L2230-K2328 HydrophobicContact CD1-CG 4.35Å; L2230-G2329 WeakPolarHBondContact CD2-O 3.34Å; L2230-L2330 HydrophobicContact CD2-CB 4.37Å; L2230-L2330 HydrophobicContact CD2-CD1 4.4Å |
| 2231 | L | 85.6 | Confident | 85.6 | Confident | 83.8 Ų | 83.8 | 51.1 Ų | 51.1 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 175.9 | -174.7 | 131.1 | 0 | 0 | 0 | 111.9 | D2227 V2228 L2229 F2233 S2234 R2235 | D2227-L2231 VanDerWaalsContact O-CB 3.3Å; D2227-L2231 WeakPolarHBondContact O-CB 3.33Å; D2227-L2231 PolarHBondContact O-N 3.18Å; V2228-L2231 PolarHBondContact O-N 2.98Å; L2229-L2231 VanDerWaalsContact C-N 3.34Å; L2229-L2231 PolarHBondContact O-N 3.4Å; L2231-F2233 VanDerWaalsContact C-N 3.33Å; L2231-F2233 PolarHBondContact O-N 2.84Å; L2231-S2234 WeakPolarHBondContact CA-OG 3.33Å; L2231-S2234 PolarHBondContact O-N 3.19Å; L2231-S2234 PolarHBondContact O-OG 3.36Å; L2231-R2235 WeakPolarHBondContact O-CB 3.2Å; L2231-R2235 WeakPolarHBondContact O-CG 3.34Å; L2231-R2235 PolarHBondContact O-N 3.15Å; L2231-R2235 VanDerWaalsContact O-N 3.13Å |
| 2232 | A | 84.8 | Confident | 85.7 | Confident | 22.6 Ų | 22.6 | 52.6 Ų | 52.6 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V2228 L2229 N2236 L2239 | V2228-A2232 VanDerWaalsContact O-CB 3.23Å; V2228-A2232 WeakPolarHBondContact O-CB 3.31Å; V2228-A2232 PolarHBondContact O-N 3.13Å; L2229-A2232 PolarHBondContact O-N 3.18Å; A2232-N2236 PolarHBondContact O-N 3.16Å; A2232-L2239 HydrophobicContact CB-CD1 4.09Å; A2232-L2239 HydrophobicContact CB-CD2 4.07Å |
| 2233 | F | 83.5 | Confident | 85.6 | Confident | 6.2 Ų | 6.2 | 54 Ų | 54 | 3% | 0.027 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 178.9 | -152.4 | -77 | 0 | 0 | 0 | 112 | L2229 L2230 L2231 R2235 N2236 L2239 F2241 D2287 I2320 | L2229-F2233 VanDerWaalsContact O-CB 3.28Å; L2229-F2233 WeakPolarHBondContact O-CB 3.34Å; L2229-F2233 PolarHBondContact O-N 3.12Å; L2230-F2233 PolarHBondContact O-N 3.16Å; L2231-F2233 VanDerWaalsContact C-N 3.33Å; L2231-F2233 PolarHBondContact O-N 2.84Å; F2233-R2235 VanDerWaalsContact C-N 3.32Å; F2233-R2235 PolarHBondContact O-N 3.33Å; F2233-N2236 CarbonylContact O-C 3.55Å; F2233-N2236 PolarHBondContact O-N 3.28Å; F2233-N2236 VanDerWaalsContact O-O 3.11Å; F2233-L2239 HydrophobicContact CB-CD2 4.27Å; F2233-L2239 HydrophobicContact CD2-CB 3.89Å; F2233-L2239 HydrophobicContact CD2-CD2 3.89Å; F2233-L2239 HydrophobicContact CD2-CG 4.41Å; F2233-L2239 HydrophobicContact CE2-CB 4.31Å; F2233-L2239 HydrophobicContact CG-CB 4.46Å; F2233-L2239 HydrophobicContact CG-CD2 4.5Å; F2233-F2241 HydrophobicContact CD2-CE2 4.49Å; F2233-F2241 AromaticContact CD2-CZ 3.9Å; F2233-F2241 HydrophobicContact CD2-CZ 3.9Å; F2233-F2241 AromaticContact CE2-CE2 3.93Å; F2233-F2241 HydrophobicContact CE2-CE2 3.95Å; F2233-F2241 AromaticContact CE2-CZ 3.67Å; F2233-F2241 HydrophobicContact CE2-CZ 3.67Å; F2233-D2287 HydrophobicContact CE1-CB 4.43Å; F2233-D2287 WeakPolarHBondContact CE1-OD2 3.34Å; F2233-D2287 HydrophobicContact CZ-CB 4.02Å; F2233-I2320 HydrophobicContact CE2-CG2 4.4Å; F2233-I2320 HydrophobicContact CZ-CG2 4.44Å |
| 2234 | S | 81.8 | Confident | 85.5 | Confident | 78.2 Ų | 78.2 | 52.4 Ų | 52.4 | 55% | 0.547 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 176.2 | 61.2 | 0 | 0 | 0 | 0 | 112.7 | L2230 L2231 | L2230-S2234 WeakPolarHBondContact O-CB 3.28Å; L2230-S2234 PolarHBondContact O-N 3.11Å; L2230-S2234 PolarHBondContact O-OG 3.07Å; L2231-S2234 WeakPolarHBondContact CA-OG 3.33Å; L2231-S2234 PolarHBondContact O-N 3.19Å; L2231-S2234 PolarHBondContact O-OG 3.36Å |
| 2235 | R | 83.5 | Confident | 85.7 | Confident | 194.8 Ų | 194.8 | 51.5 Ų | 51.5 | 74% | 0.735 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -76.6 | -29.8 | 174.7 | -70.9 | -178.7 | 177.1 | 177.9 | 0.9 | 113.1 | L2231 F2233 | L2231-R2235 WeakPolarHBondContact O-CB 3.2Å; L2231-R2235 WeakPolarHBondContact O-CG 3.34Å; L2231-R2235 PolarHBondContact O-N 3.15Å; L2231-R2235 VanDerWaalsContact O-N 3.13Å; F2233-R2235 VanDerWaalsContact C-N 3.32Å; F2233-R2235 PolarHBondContact O-N 3.33Å |
| 2236 | N | 83.2 | Confident | 85.8 | Confident | 73.4 Ų | 73.4 | 51.5 Ų | 51.5 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | trans | -141.9 | 98.3 | -180 | -178.3 | 9 | 0 | 0 | 0 | 110.6 | A2232 F2233 N2238 L2239 | A2232-N2236 PolarHBondContact O-N 3.16Å; F2233-N2236 CarbonylContact O-C 3.55Å; F2233-N2236 PolarHBondContact O-N 3.28Å; F2233-N2236 VanDerWaalsContact O-O 3.11Å; N2236-N2238 PolarHBondContact O-N 3.17Å; N2236-N2238 VanDerWaalsContact O-N 3.09Å; N2236-N2238 WeakPolarHBondContact OD1-CA 3.36Å; N2236-N2238 WeakPolarHBondContact OD1-CB 3.34Å; N2236-N2238 PolarHBondContact OD1-N 3.24Å; N2236-L2239 WeakPolarHBondContact O-CB 3.39Å; N2236-L2239 PolarHBondContact O-N 3.04Å | ||
| 2237 | P | 78.5 | Confident | 85.6 | Confident | 78.2 Ų | 78.2 | 56.4 Ų | 56.4 | 51% | 0.508 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.7 | 176.5 | -3.6 | 6.8 | 0 | 0 | 0 | 113.1 | L2239 | P2237-L2239 VanDerWaalsContact C-N 3.28Å; P2237-L2239 PolarHBondContact O-N 3.31Å |
| 2238 | N | 83.9 | Confident | 85.8 | Confident | 89.4 Ų | 89.4 | 54.5 Ų | 54.5 | 48% | 0.478 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 26.7 | 175.8 | -63.3 | -53.6 | 0 | 0 | 0 | 112.7 | N2236 R2240 K2290 | N2236-N2238 PolarHBondContact O-N 3.17Å; N2236-N2238 VanDerWaalsContact O-N 3.09Å; N2236-N2238 WeakPolarHBondContact OD1-CA 3.36Å; N2236-N2238 WeakPolarHBondContact OD1-CB 3.34Å; N2236-N2238 PolarHBondContact OD1-N 3.24Å; N2238-R2240 PolarHBondContact O-N 3.14Å; N2238-K2290 HydrophobicContact CB-CD 4.33Å; N2238-K2290 PolarHBondContact OD1-NZ 3.3Å |
| 2239 | L | 86.9 | Confident | 85.9 | Confident | 14.4 Ų | 14.4 | 53 Ų | 53 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 127.6 | 178.1 | -176.1 | 67.7 | 0 | 0 | 0 | 110.4 | L2229 A2232 F2233 N2236 P2237 F2241 | L2229-L2239 HydrophobicContact CD2-CD2 4.44Å; A2232-L2239 HydrophobicContact CB-CD1 4.09Å; A2232-L2239 HydrophobicContact CB-CD2 4.07Å; F2233-L2239 HydrophobicContact CB-CD2 4.27Å; F2233-L2239 HydrophobicContact CD2-CB 3.89Å; F2233-L2239 HydrophobicContact CD2-CD2 3.89Å; F2233-L2239 HydrophobicContact CD2-CG 4.41Å; F2233-L2239 HydrophobicContact CE2-CB 4.31Å; F2233-L2239 HydrophobicContact CG-CB 4.46Å; F2233-L2239 HydrophobicContact CG-CD2 4.5Å; N2236-L2239 WeakPolarHBondContact O-CB 3.39Å; N2236-L2239 PolarHBondContact O-N 3.04Å; P2237-L2239 VanDerWaalsContact C-N 3.28Å; P2237-L2239 PolarHBondContact O-N 3.31Å; L2239-F2241 HydrophobicContact CD2-CE1 4.32Å |
| 2240 | R | 88.7 | Confident | 85.8 | Confident | 161.6 Ų | 161.6 | 53.3 Ų | 53.3 | 61% | 0.61 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.1 | 172.8 | -64.1 | -177.5 | 160.2 | 137.4 | -2 | 109.4 | R2100 N2238 K2290 Y2291 V2292 | R2100-R2240 PolarHBondContact NH2-O 3.26Å; R2100-R2240 VanDerWaalsContact NH2-O 3.07Å; N2238-R2240 PolarHBondContact O-N 3.14Å; R2240-K2290 CarbonylContact C-O 3.55Å; R2240-K2290 WeakPolarHBondContact CA-O 3.28Å; R2240-K2290 HydrophobicContact CG-CB 4.16Å; R2240-Y2291 PolarHBondContact NE-O 3.03Å; R2240-Y2291 PolarHBondContact NH2-O 3.39Å; R2240-Y2291 VanDerWaalsContact NH2-O 3.16Å; R2240-V2292 HydrophobicContact CB-CG2 3.57Å |
| 2241 | F | 89.2 | Confident | 85.5 | Confident | 0.4 Ų | 0.4 | 53.8 Ų | 53.8 | 0% | 0.002 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 133.9 | 177.8 | -66.2 | -78.1 | 0 | 0 | 0 | 111.1 | F2233 L2239 D2245 I2246 L2249 P2289 K2290 Y2291 V2292 I2320 | F2233-F2241 HydrophobicContact CD2-CE2 4.49Å; F2233-F2241 AromaticContact CD2-CZ 3.9Å; F2233-F2241 HydrophobicContact CD2-CZ 3.9Å; F2233-F2241 AromaticContact CE2-CE2 3.93Å; F2233-F2241 HydrophobicContact CE2-CE2 3.95Å; F2233-F2241 AromaticContact CE2-CZ 3.67Å; F2233-F2241 HydrophobicContact CE2-CZ 3.67Å; L2239-F2241 HydrophobicContact CD2-CE1 4.32Å; F2241-D2245 WeakPolarHBondContact CA-OD2 3.41Å; F2241-D2245 HydrophobicContact CB-CB 4.22Å; F2241-D2245 HydrophobicContact CD1-CB 3.81Å; F2241-I2246 HydrophobicContact CB-CD1 4.47Å; F2241-I2246 HydrophobicContact CB-CG1 4.18Å; F2241-L2249 HydrophobicContact CD1-CD1 4.24Å; F2241-L2249 HydrophobicContact CE1-CD1 3.84Å; F2241-L2249 HydrophobicContact CZ-CD1 4.47Å; F2241-P2289 HydrophobicContact CD2-CB 4.15Å; F2241-P2289 HydrophobicContact CE2-CB 4.19Å; F2241-K2290 WeakPolarHBondContact CD2-O 3.44Å; F2241-K2290 PolarHBondContact N-O 3.25Å; F2241-Y2291 HydrophobicContact CB-CD1 4.47Å; F2241-V2292 PolarHBondContact O-N 3.28Å; F2241-I2320 HydrophobicContact CE2-CD1 4.29Å; F2241-I2320 HydrophobicContact CE2-CG1 3.96Å; F2241-I2320 HydrophobicContact CZ-CD1 4.25Å; F2241-I2320 HydrophobicContact CZ-CG1 4.15Å |
| 2242 | T | 87.7 | Confident | 85 | Confident | 32.6 Ų | 32.6 | 55.7 Ų | 55.7 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 168.5 | 168.3 | 73.7 | 0 | 0 | 0 | 0 | 110.5 | E2244 D2245 I2246 V2292 | T2242-E2244 VanDerWaalsContact CB-OE2 3.31Å; T2242-E2244 WeakPolarHBondContact CB-OE2 3.38Å; T2242-E2244 PolarHBondContact O-N 3.09Å; T2242-E2244 PolarHBondContact OG1-N 3.15Å; T2242-E2244 PolarHBondContact OG1-OE2 3.04Å; T2242-D2245 PolarHBondContact N-OD2 3.07Å; T2242-D2245 PolarHBondContact O-N 3.06Å; T2242-D2245 VanDerWaalsContact O-N 3.14Å; T2242-D2245 PolarHBondContact OG1-N 3.28Å; T2242-D2245 PolarHBondContact OG1-OD1 3.36Å; T2242-D2245 PolarHBondContact OG1-OD2 3.14Å; T2242-D2245 VanDerWaalsContact OG1-OD2 3.06Å; T2242-I2246 WeakPolarHBondContact O-CG1 3.35Å; T2242-I2246 PolarHBondContact O-N 3.13Å; T2242-I2246 VanDerWaalsContact O-N 3.08Å; T2242-V2292 HydrophobicContact CG2-CG2 4.03Å |
| 2243 | L | 84.1 | Confident | 84.4 | Confident | 60.2 Ų | 60.2 | 58.2 Ų | 58.2 | 32% | 0.315 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.7 | -34.5 | 175.4 | -179 | 61.7 | 0 | 0 | 0 | 111.8 | I2246 R2247 A2296 | L2243-I2246 PolarHBondContact O-N 3.05Å; L2243-R2247 WeakPolarHBondContact O-CB 3.36Å; L2243-R2247 VanDerWaalsContact O-CG 3.31Å; L2243-R2247 WeakPolarHBondContact O-CG 3.38Å; L2243-R2247 PolarHBondContact O-N 3.41Å; L2243-A2296 HydrophobicContact CB-CB 4.04Å |
| 2244 | E | 84.7 | Confident | 84.3 | Confident | 51.8 Ų | 51.8 | 59.5 Ų | 59.5 | 24% | 0.242 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 176.9 | -61.6 | 57.4 | -165.8 | 0 | 0 | 111.4 | R2096 H2098 P2099 T2242 I2246 R2247 F2248 | R2096-E2244 IonicContact CZ-OE1 2.84Å; R2096-E2244 IonicContact CZ-OE2 2.75Å; R2096-E2244 IonicContact NH1-OE1 2.91Å; R2096-E2244 IonicContact NH1-OE2 3.32Å; R2096-E2244 VanDerWaalsContact NH2-CD 3.28Å; R2096-E2244 IonicContact NH2-OE1 2.82Å; R2096-E2244 PolarHBondContact NH2-OE1 2.91Å; R2096-E2244 IonicContact NH2-OE2 3.52Å; H2098-E2244 VanDerWaalsContact NE2-C 3.25Å; H2098-E2244 WeakPolarHBondContact NE2-CB 3.36Å; H2098-E2244 PolarHBondContact NE2-O 3.07Å; P2099-E2244 HydrophobicContact CG-CB 4.27Å; P2099-E2244 HydrophobicContact CG-CG 4.02Å; T2242-E2244 VanDerWaalsContact CB-OE2 3.31Å; T2242-E2244 WeakPolarHBondContact CB-OE2 3.38Å; T2242-E2244 PolarHBondContact O-N 3.09Å; T2242-E2244 PolarHBondContact OG1-N 3.15Å; T2242-E2244 PolarHBondContact OG1-OE2 3.04Å; E2244-I2246 PolarHBondContact O-N 3.1Å; E2244-R2247 PolarHBondContact O-N 3.07Å; E2244-R2247 IonicContact OE1-CZ 3.05Å; E2244-R2247 IonicContact OE1-NH1 3.75Å; E2244-R2247 PolarHBondContact OE1-NH1 3.48Å; E2244-F2248 WeakPolarHBondContact O-CB 3.42Å; E2244-F2248 PolarHBondContact O-N 3.18Å |
| 2245 | D | 89.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 174.4 | -58 | -37 | 0 | 0 | 0 | 110.2 | H2098 R2100 L2229 F2241 T2242 F2248 L2249 | H2098-D2245 IonicContact CE1-OD1 2.87Å; H2098-D2245 PolarHBondContact CE1-OD1 2.99Å; H2098-D2245 PolarHBondContact NE2-N 3.01Å; H2098-D2245 IonicContact NE2-OD1 3.45Å; R2100-D2245 VanDerWaalsContact CG-OD1 3.24Å; R2100-D2245 WeakPolarHBondContact CG-OD1 3.43Å; R2100-D2245 IonicContact CZ-OD1 3.49Å; R2100-D2245 IonicContact CZ-OD2 3.38Å; R2100-D2245 IonicContact NE-OD1 3.34Å; R2100-D2245 PolarHBondContact NE-OD1 3.07Å; R2100-D2245 VanDerWaalsContact NE-OD1 3.07Å; R2100-D2245 IonicContact NE-OD2 3.43Å; R2100-D2245 PolarHBondContact NE-OD2 3.08Å; R2100-D2245 IonicContact NH2-OD1 3.54Å; R2100-D2245 IonicContact NH2-OD2 2.97Å; R2100-D2245 PolarHBondContact NH2-OD2 3.1Å; L2229-D2245 HydrophobicContact CD2-CB 4.41Å; F2241-D2245 WeakPolarHBondContact CA-OD2 3.41Å; F2241-D2245 HydrophobicContact CB-CB 4.22Å; F2241-D2245 HydrophobicContact CD1-CB 3.81Å; T2242-D2245 PolarHBondContact N-OD2 3.07Å; T2242-D2245 PolarHBondContact O-N 3.06Å; T2242-D2245 VanDerWaalsContact O-N 3.14Å; T2242-D2245 PolarHBondContact OG1-N 3.28Å; T2242-D2245 PolarHBondContact OG1-OD1 3.36Å; T2242-D2245 PolarHBondContact OG1-OD2 3.14Å; T2242-D2245 VanDerWaalsContact OG1-OD2 3.06Å; D2245-F2248 WeakPolarHBondContact O-CB 3.22Å; D2245-F2248 PolarHBondContact O-N 3.09Å; D2245-L2249 WeakPolarHBondContact O-CG 3.34Å; D2245-L2249 PolarHBondContact O-N 3.17Å; D2245-L2249 VanDerWaalsContact O-N 3.07Å |
| 2246 | I | 88.4 | Confident | 84.4 | Confident | 5.8 Ų | 5.8 | 53.4 Ų | 53.4 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.2 | -47.9 | 178.3 | -69.5 | 166.9 | 0 | 0 | 0 | 111.5 | F2241 T2242 L2243 E2244 F2248 L2249 Q2250 Y2291 A2296 F2298 | F2241-I2246 HydrophobicContact CB-CD1 4.47Å; F2241-I2246 HydrophobicContact CB-CG1 4.18Å; T2242-I2246 WeakPolarHBondContact O-CG1 3.35Å; T2242-I2246 PolarHBondContact O-N 3.13Å; T2242-I2246 VanDerWaalsContact O-N 3.08Å; L2243-I2246 PolarHBondContact O-N 3.05Å; E2244-I2246 PolarHBondContact O-N 3.1Å; I2246-F2248 PolarHBondContact O-N 2.97Å; I2246-L2249 PolarHBondContact O-N 3.16Å; I2246-Q2250 WeakPolarHBondContact O-CA 3.27Å; I2246-Q2250 WeakPolarHBondContact O-CB 3.32Å; I2246-Q2250 PolarHBondContact O-N 3.15Å; I2246-Y2291 HydrophobicContact CD1-CD1 3.86Å; I2246-Y2291 HydrophobicContact CD1-CE1 3.95Å; I2246-A2296 HydrophobicContact CD1-CB 3.91Å; I2246-A2296 WeakPolarHBondContact CD1-O 3.44Å; I2246-F2298 HydrophobicContact CB-CD1 4.26Å; I2246-F2298 HydrophobicContact CB-CE1 4.03Å; I2246-F2298 HydrophobicContact CG1-CD1 4.15Å; I2246-F2298 HydrophobicContact CG1-CE1 3.79Å; I2246-F2298 HydrophobicContact CG1-CE2 4.22Å; I2246-F2298 HydrophobicContact CG1-CG 4.48Å; I2246-F2298 HydrophobicContact CG1-CZ 3.83Å; I2246-F2298 HydrophobicContact CG2-CD1 3.61Å; I2246-F2298 HydrophobicContact CG2-CE1 3.89Å; I2246-F2298 HydrophobicContact CG2-CG 4.24Å |
| 2247 | R | 85.7 | Confident | 84.7 | Confident | 112.8 Ų | 112.8 | 53.2 Ų | 53.2 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.8 | -30.1 | 176.1 | -73.6 | 173.8 | 179 | -179.2 | -0.5 | 112.1 | L2243 E2244 Q2250 P2251 | L2243-R2247 WeakPolarHBondContact O-CB 3.36Å; L2243-R2247 VanDerWaalsContact O-CG 3.31Å; L2243-R2247 WeakPolarHBondContact O-CG 3.38Å; L2243-R2247 PolarHBondContact O-N 3.41Å; E2244-R2247 PolarHBondContact O-N 3.07Å; E2244-R2247 IonicContact OE1-CZ 3.05Å; E2244-R2247 IonicContact OE1-NH1 3.75Å; E2244-R2247 PolarHBondContact OE1-NH1 3.48Å; R2247-Q2250 CarbonylContact O-C 3.43Å; R2247-P2251 VanDerWaalsContact O-CA 3.25Å; R2247-P2251 WeakPolarHBondContact O-CA 3.35Å |
| 2248 | F | 89.5 | Confident | 85.2 | Confident | 13.6 Ų | 13.6 | 54.2 Ų | 54.2 | 6% | 0.06 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.4 | -49.8 | 173.6 | 171.8 | -103.9 | 0 | 0 | 0 | 111.6 | D2222 I2225 L2226 L2229 E2244 D2245 I2246 Q2250 P2251 R2405 | D2222-F2248 HydrophobicContact CB-CE2 3.81Å; D2222-F2248 HydrophobicContact CB-CZ 4.41Å; D2222-F2248 VanDerWaalsContact O-CZ 3.28Å; D2222-F2248 WeakPolarHBondContact O-CZ 3.32Å; I2225-F2248 HydrophobicContact CB-CD2 4.32Å; I2225-F2248 HydrophobicContact CB-CE1 4.3Å; I2225-F2248 HydrophobicContact CB-CE2 3.95Å; I2225-F2248 HydrophobicContact CB-CZ 3.93Å; I2225-F2248 HydrophobicContact CD1-CD2 4.02Å; I2225-F2248 HydrophobicContact CD1-CE2 4.11Å; I2225-F2248 HydrophobicContact CG2-CD1 3.76Å; I2225-F2248 HydrophobicContact CG2-CD2 3.97Å; I2225-F2248 HydrophobicContact CG2-CE1 3.79Å; I2225-F2248 HydrophobicContact CG2-CE2 4Å; I2225-F2248 HydrophobicContact CG2-CG 3.85Å; I2225-F2248 HydrophobicContact CG2-CZ 3.91Å; L2226-F2248 HydrophobicContact CB-CE1 4.32Å; L2226-F2248 HydrophobicContact CB-CZ 4.14Å; L2229-F2248 HydrophobicContact CD1-CD1 3.62Å; L2229-F2248 HydrophobicContact CD1-CE1 3.85Å; E2244-F2248 WeakPolarHBondContact O-CB 3.42Å; E2244-F2248 PolarHBondContact O-N 3.18Å; D2245-F2248 WeakPolarHBondContact O-CB 3.22Å; D2245-F2248 PolarHBondContact O-N 3.09Å; I2246-F2248 PolarHBondContact O-N 2.97Å; F2248-Q2250 VanDerWaalsContact C-N 3.34Å; F2248-P2251 WeakPolarHBondContact O-CD 3.3Å; F2248-R2405 HydrophobicContact CE1-CG 4.31Å; F2248-R2405 HydrophobicContact CZ-CG 4.46Å; F2248-R2405 VanDerWaalsContact O-CZ 3.24Å; F2248-R2405 PolarHBondContact O-NE 3.3Å; F2248-R2405 PolarHBondContact O-NH2 3.04Å |
| 2249 | L | 88.7 | Confident | 85.5 | Confident | 2.4 Ų | 2.4 | 50.6 Ų | 50.6 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.8 | -30.4 | -179.2 | -65.9 | 174.2 | 0 | 0 | 0 | 113.2 | L2229 F2241 D2245 I2246 F2298 L2330 V2332 R2405 | L2229-L2249 HydrophobicContact CD1-CD2 4.43Å; F2241-L2249 HydrophobicContact CD1-CD1 4.24Å; F2241-L2249 HydrophobicContact CE1-CD1 3.84Å; F2241-L2249 HydrophobicContact CZ-CD1 4.47Å; D2245-L2249 WeakPolarHBondContact O-CG 3.34Å; D2245-L2249 PolarHBondContact O-N 3.17Å; D2245-L2249 VanDerWaalsContact O-N 3.07Å; I2246-L2249 PolarHBondContact O-N 3.16Å; L2249-F2298 HydrophobicContact CB-CE1 4.06Å; L2249-F2298 HydrophobicContact CD1-CE1 4.26Å; L2249-F2298 HydrophobicContact CD1-CZ 4Å; L2249-L2330 HydrophobicContact CD1-CD2 3.8Å; L2249-L2330 HydrophobicContact CD2-CB 4.23Å; L2249-L2330 HydrophobicContact CD2-CD2 3.67Å; L2249-L2330 HydrophobicContact CD2-CG 4.2Å; L2249-L2330 HydrophobicContact CG-CD2 4.39Å; L2249-V2332 HydrophobicContact CB-CG2 3.86Å; L2249-V2332 HydrophobicContact CD1-CG2 4.35Å; L2249-R2405 HydrophobicContact CD2-CB 4.28Å; L2249-R2405 HydrophobicContact CD2-CG 4.08Å |
| 2250 | Q | 86.9 | Confident | 85.7 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -129.4 | 76.6 | 178.7 | -168.9 | -176.8 | 26 | 0 | 0 | 110.3 | I2246 R2247 F2248 F2298 T2299 W2403 | I2246-Q2250 WeakPolarHBondContact O-CA 3.27Å; I2246-Q2250 WeakPolarHBondContact O-CB 3.32Å; I2246-Q2250 PolarHBondContact O-N 3.15Å; R2247-Q2250 CarbonylContact O-C 3.43Å; F2248-Q2250 VanDerWaalsContact C-N 3.34Å; Q2250-F2298 HydrophobicContact CB-CD1 4.26Å; Q2250-T2299 PolarHBondContact NE2-O 3.22Å; Q2250-T2299 PolarHBondContact NE2-OG1 3.2Å; Q2250-T2299 VanDerWaalsContact NE2-OG1 3.16Å; Q2250-T2299 PolarHBondContact OE1-O 3.27Å; Q2250-T2299 PolarHBondContact OE1-OG1 3.12Å; Q2250-T2299 VanDerWaalsContact OE1-OG1 3.08Å; Q2250-W2403 HydrophobicContact CB-CG 4.47Å; Q2250-W2403 HydrophobicContact CG-CD2 3.94Å; Q2250-W2403 HydrophobicContact CG-CG 3.95Å; Q2250-W2403 HydrophobicContact CG-CZ2 4.48Å; Q2250-W2403 VanDerWaalsContact NE2-CE2 3.32Å; Q2250-W2403 VanDerWaalsContact NE2-CH2 3.33Å |
| 2251 | P | 81.1 | Confident | 85.9 | Confident | 40.4 Ų | 40.4 | 43 Ų | 43 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | trans | -62.5 | 142.9 | 178.5 | -15.1 | 24.5 | 0 | 0 | 0 | 111.8 | R2247 F2248 G2253 S2254 | R2247-P2251 VanDerWaalsContact O-CA 3.25Å; R2247-P2251 WeakPolarHBondContact O-CA 3.35Å; F2248-P2251 WeakPolarHBondContact O-CD 3.3Å; P2251-G2253 PolarHBondContact O-N 3.12Å; P2251-S2254 VanDerWaalsContact O-CB 3.29Å; P2251-S2254 WeakPolarHBondContact O-CB 3.32Å; P2251-S2254 PolarHBondContact O-N 3.02Å; P2251-S2254 PolarHBondContact O-OG 3.05Å | ||
| 2252 | V | 74.4 | Confident | 86 | Confident | 123.6 Ų | 123.6 | 43.3 Ų | 43.3 | 75% | 0.749 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 124.7 | 177.2 | -177 | 0 | 0 | 0 | 0 | 109.3 | S2254 | V2252-S2254 VanDerWaalsContact C-N 3.33Š|
| 2253 | G | 73 | Confident | 86.1 | Confident | 74.6 Ų | 74.6 | 42.5 Ų | 42.5 | 77% | 0.769 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P2251 | P2251-G2253 PolarHBondContact O-N 3.12Š|
| 2254 | S | 80.3 | Confident | 86.3 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | trans | -63.8 | 139.3 | 172.7 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | P2251 V2252 P2256 W2403 | P2251-S2254 VanDerWaalsContact O-CB 3.29Å; P2251-S2254 WeakPolarHBondContact O-CB 3.32Å; P2251-S2254 PolarHBondContact O-N 3.02Å; P2251-S2254 PolarHBondContact O-OG 3.05Å; V2252-S2254 VanDerWaalsContact C-N 3.33Å; S2254-P2256 VanDerWaalsContact O-CD 3.26Å; S2254-P2256 WeakPolarHBondContact O-CD 3.37Å; S2254-W2403 VanDerWaalsContact OG-CD1 3.27Å; S2254-W2403 PolarHBondContact OG-NE1 2.78Å | ||
| 2255 | T | 80.9 | Confident | 86 | Confident | 124.8 Ų | 124.8 | 40.6 Ų | 40.6 | 77% | 0.766 | 24% | 0.236 | S | C | * | . | trans | -82 | 112.6 | 177.3 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2256 | P | 87.3 | Confident | 85.5 | Confident | 20 Ų | 20 | 40.9 Ų | 40.9 | 13% | 0.13 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 163.2 | 175.4 | 29.3 | -32.5 | 0 | 0 | 0 | 112.2 | S2254 Y2258 L2302 V2401 W2403 | S2254-P2256 VanDerWaalsContact O-CD 3.26Å; S2254-P2256 WeakPolarHBondContact O-CD 3.37Å; P2256-Y2258 HydrophobicContact CG-CD2 4.46Å; P2256-Y2258 HydrophobicContact CG-CE1 4.48Å; P2256-Y2258 HydrophobicContact CG-CE2 3.65Å; P2256-L2302 HydrophobicContact CG-CD1 4.32Å; P2256-V2401 HydrophobicContact CB-CG1 3.41Å; P2256-V2401 VanDerWaalsContact CB-CG1 3.41Å; P2256-V2401 HydrophobicContact CG-CG1 3.72Å; P2256-W2403 HydrophobicContact CB-CD2 4.06Å; P2256-W2403 HydrophobicContact CB-CG 4.42Å; P2256-W2403 HydrophobicContact CB-CH2 4.47Å; P2256-W2403 HydrophobicContact CB-CZ2 3.81Å; P2256-W2403 HydrophobicContact CG-CZ2 3.97Å |
| 2257 | H | 89.1 | Confident | 85.3 | Confident | 69.4 Ų | 69.4 | 40.7 Ų | 40.7 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130 | 167.8 | -63.4 | 61.9 | 0 | 0 | 0 | 108.7 | V2402 R2404 M2410 | H2257-V2402 HydrophobicContact CB-CB 4.41Å; H2257-V2402 PolarHBondContact N-O 3Å; H2257-V2402 PolarHBondContact O-N 3.01Å; H2257-R2404 PolarHBondContact CE1-NE 3.24Å; H2257-R2404 PolarHBondContact NE2-NH2 3.17Å; H2257-R2404 VanDerWaalsContact NE2-NH2 3.18Å; H2257-M2410 HydrophobicContact CB-CE 4.06Å |
| 2258 | Y | 88.7 | Confident | 85.1 | Confident | 99 Ų | 99 | 36.9 Ų | 36.9 | 39% | 0.388 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.4 | 179.1 | -67 | -89.3 | 0 | 0 | 0 | 109.9 | P2256 Q2399 V2401 | P2256-Y2258 HydrophobicContact CG-CD2 4.46Å; P2256-Y2258 HydrophobicContact CG-CE1 4.48Å; P2256-Y2258 HydrophobicContact CG-CE2 3.65Å; Y2258-Q2399 HydrophobicContact CD1-CG 4.49Å; Y2258-V2401 HydrophobicContact CD1-CB 4.47Å; Y2258-V2401 HydrophobicContact CD1-CG1 4.21Å; Y2258-V2401 HydrophobicContact CD1-CG2 3.68Å; Y2258-V2401 HydrophobicContact CE1-CB 4.42Å; Y2258-V2401 HydrophobicContact CE1-CG1 3.88Å; Y2258-V2401 HydrophobicContact CE1-CG2 3.65Å |
| 2259 | L | 91.3 | Very high | 84.5 | Confident | 14.8 Ų | 14.8 | 40.9 Ų | 40.9 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.9 | 169.9 | -54.5 | 172.2 | 0 | 0 | 0 | 108.1 | F2261 Q2399 F2400 V2402 M2410 E2414 I2417 | L2259-F2261 HydrophobicContact CB-CE2 3.74Å; L2259-F2261 HydrophobicContact CB-CZ 4.25Å; L2259-Q2399 CarbonylContact O-C 3.57Å; L2259-Q2399 WeakPolarHBondContact O-CA 3.39Å; L2259-F2400 HydrophobicContact CB-CB 4.24Å; L2259-F2400 PolarHBondContact N-O 3.16Å; L2259-F2400 PolarHBondContact O-N 3.15Å; L2259-V2402 HydrophobicContact CD1-CG2 4.33Å; L2259-M2410 HydrophobicContact CD1-CE 4.19Å; L2259-E2414 HydrophobicContact CD1-CB 4.48Å; L2259-I2417 HydrophobicContact CD1-CD1 4Å |
| 2260 | H | 91.1 | Very high | 84.1 | Confident | 14.8 Ų | 14.8 | 41.7 Ų | 41.7 | 7% | 0.069 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.2 | 178 | -58.1 | 94 | 0 | 0 | 0 | 109.6 | C2377 C2378 A2398 Q2399 | H2260-C2377 CarbonylContact O-C 3.42Å; H2260-C2377 WeakPolarHBondContact O-CA 3.41Å; H2260-C2378 HydrophobicContact CB-CB 4.34Å; H2260-C2378 PolarHBondContact O-N 3.22Å; H2260-A2398 CarbonylContact C-O 3.54Å; H2260-A2398 WeakPolarHBondContact CA-O 3.41Å; H2260-Q2399 PolarHBondContact NE2-NE2 3.24Å; H2260-Q2399 VanDerWaalsContact NE2-NE2 3.14Å |
| 2261 | F | 93.1 | Very high | 84 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.7 | -179.8 | -61.9 | -88.6 | 0 | 0 | 0 | 110.7 | L2259 H2376 C2377 M2397 A2398 F2400 E2414 I2417 L2418 I2421 | L2259-F2261 HydrophobicContact CB-CE2 3.74Å; L2259-F2261 HydrophobicContact CB-CZ 4.25Å; F2261-H2376 WeakPolarHBondContact CA-O 3.39Å; F2261-C2377 HydrophobicContact CD1-CB 4.38Å; F2261-C2377 HydrophobicContact CE1-CB 4.16Å; F2261-M2397 CarbonylContact O-C 3.44Å; F2261-M2397 VanDerWaalsContact O-CA 3.28Å; F2261-M2397 WeakPolarHBondContact O-CA 3.43Å; F2261-M2397 VanDerWaalsContact O-CB 3.32Å; F2261-M2397 WeakPolarHBondContact O-CB 3.34Å; F2261-A2398 HydrophobicContact CB-CB 4.48Å; F2261-A2398 PolarHBondContact N-O 3.13Å; F2261-A2398 PolarHBondContact O-N 3.07Å; F2261-F2400 AromaticContact CD2-CD2 3.71Å; F2261-F2400 HydrophobicContact CD2-CD2 3.71Å; F2261-F2400 AromaticContact CD2-CE2 3.85Å; F2261-F2400 HydrophobicContact CD2-CE2 3.85Å; F2261-F2400 AromaticContact CE2-CD2 3.72Å; F2261-F2400 HydrophobicContact CE2-CD2 3.72Å; F2261-F2400 HydrophobicContact CE2-CE2 4.11Å; F2261-E2414 HydrophobicContact CE1-CG 4.12Å; F2261-E2414 HydrophobicContact CZ-CG 3.88Å; F2261-I2417 HydrophobicContact CD2-CG2 4.06Å; F2261-I2417 HydrophobicContact CE2-CB 4.25Å; F2261-I2417 HydrophobicContact CE2-CG2 3.44Å; F2261-I2417 VanDerWaalsContact CE2-CG2 3.44Å; F2261-I2417 HydrophobicContact CZ-CB 4.13Å; F2261-I2417 HydrophobicContact CZ-CG2 3.75Å; F2261-L2418 HydrophobicContact CD1-CB 4.49Å; F2261-L2418 HydrophobicContact CD1-CD1 3.65Å; F2261-L2418 HydrophobicContact CE1-CB 3.93Å; F2261-L2418 HydrophobicContact CE1-CD1 3.83Å; F2261-L2418 HydrophobicContact CE1-CG 4.48Å; F2261-I2421 HydrophobicContact CB-CD1 3.48Å; F2261-I2421 VanDerWaalsContact CB-CD1 3.48Å; F2261-I2421 HydrophobicContact CD1-CD1 3.99Å; F2261-I2421 HydrophobicContact CD2-CD1 3.71Å; F2261-I2421 HydrophobicContact CE2-CD1 4.42Å; F2261-I2421 HydrophobicContact CG-CD1 3.44Å; F2261-I2421 VanDerWaalsContact CG-CD1 3.44Å |
| 2262 | S | 90.7 | Very high | 84 | Confident | 8.4 Ų | 8.4 | 42.2 Ų | 42.2 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 142.5 | 171.8 | 65.3 | 0 | 0 | 0 | 0 | 110.7 | T2375 H2376 | S2262-T2375 VanDerWaalsContact O-CB 3.26Å; S2262-T2375 WeakPolarHBondContact O-CB 3.37Å; S2262-T2375 PolarHBondContact O-OG1 3.31Å; S2262-H2376 VanDerWaalsContact CB-CE1 3.44Å; S2262-H2376 WeakPolarHBondContact CB-CE1 3.21Å; S2262-H2376 PolarHBondContact N-O 3.29Å; S2262-H2376 PolarHBondContact OG-CD2 3.33Å; S2262-H2376 PolarHBondContact OG-CE1 2.95Å; S2262-H2376 VanDerWaalsContact OG-CG 3.27Å; S2262-H2376 PolarHBondContact OG-N 3.13Å; S2262-H2376 VanDerWaalsContact OG-N 3.11Å; S2262-H2376 PolarHBondContact OG-ND1 3.08Å; S2262-H2376 PolarHBondContact OG-NE2 3.08Å; S2262-H2376 PolarHBondContact OG-O 3.01Å |
| 2263 | L | 90.5 | Very high | 84.5 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | trans | -110 | 139.3 | 175.4 | -59.9 | 177.8 | 0 | 0 | 0 | 110.6 | A2267 I2268 L2271 F2274 F2337 V2396 A2398 I2421 | L2263-A2267 HydrophobicContact CB-CB 4.24Å; L2263-I2268 HydrophobicContact CB-CD1 4.46Å; L2263-I2268 HydrophobicContact CB-CG1 4Å; L2263-L2271 HydrophobicContact CD1-CD1 3.98Å; L2263-F2274 HydrophobicContact CD1-CD1 4.39Å; L2263-F2274 HydrophobicContact CD1-CE1 4.02Å; L2263-F2274 HydrophobicContact CD2-CE1 3.68Å; L2263-F2274 HydrophobicContact CD2-CE2 4.5Å; L2263-F2274 HydrophobicContact CD2-CZ 3.61Å; L2263-F2274 HydrophobicContact CG-CE1 4.48Å; L2263-F2337 HydrophobicContact CD1-CD1 4.02Å; L2263-F2337 HydrophobicContact CD1-CE1 3.93Å; L2263-V2396 HydrophobicContact CD1-CG1 4.36Å; L2263-A2398 HydrophobicContact CD1-CB 4.43Å; L2263-A2398 HydrophobicContact CD2-CB 4.11Å; L2263-A2398 HydrophobicContact CG-CB 4.47Å; L2263-I2421 HydrophobicContact CD2-CG2 4.07Å | ||
| 2264 | P | 87.1 | Confident | 85.3 | Confident | 10.6 Ų | 10.6 | 33.2 Ų | 33.2 | 7% | 0.069 | 18% | 0.178 | C | C | . | . | trans | -63.8 | 154.4 | 172.7 | 17.5 | -20.8 | 0 | 0 | 0 | 110.7 | V2266 A2267 I2268 L2372 S2374 C2425 | P2264-V2266 PolarHBondContact O-N 3.01Å; P2264-V2266 VanDerWaalsContact O-N 3.1Å; P2264-A2267 HydrophobicContact CB-CB 4.46Å; P2264-A2267 HydrophobicContact CG-CB 3.93Å; P2264-A2267 WeakPolarHBondContact O-CA 3.42Å; P2264-A2267 WeakPolarHBondContact O-CB 3.38Å; P2264-A2267 PolarHBondContact O-N 3.28Å; P2264-I2268 PolarHBondContact O-N 3.09Å; P2264-I2268 VanDerWaalsContact O-N 3.16Å; P2264-L2372 WeakPolarHBondContact CG-O 3.38Å; P2264-S2374 WeakPolarHBondContact CD-O 3.3Å; P2264-S2374 WeakPolarHBondContact CG-O 3.41Å; P2264-C2425 HydrophobicContact CG-CB 4.41Å; P2264-C2425 VanDerWaalsContact CG-SG 3.56Å | ||
| 2265 | S | 79.6 | Confident | 85.7 | Confident | 60.6 Ų | 60.6 | 32 Ų | 32 | 42% | 0.424 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -55.5 | -34.1 | -177.2 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | A2267 I2268 L2269 | S2265-A2267 VanDerWaalsContact C-N 3.32Å; S2265-A2267 PolarHBondContact O-N 3.13Å; S2265-I2268 PolarHBondContact O-N 3.14Å; S2265-L2269 VanDerWaalsContact O-CG 3.3Å; S2265-L2269 WeakPolarHBondContact O-CG 3.31Å; S2265-L2269 PolarHBondContact O-N 2.88Å |
| 2266 | V | 77 | Confident | 86.1 | Confident | 7.4 Ų | 7.4 | 29.2 Ų | 29.2 | 5% | 0.045 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | P2264 I2268 L2269 H2270 F2362 L2372 M2428 | P2264-V2266 PolarHBondContact O-N 3.01Å; P2264-V2266 VanDerWaalsContact O-N 3.1Å; V2266-I2268 VanDerWaalsContact C-N 3.31Å; V2266-I2268 PolarHBondContact O-N 3.19Å; V2266-L2269 PolarHBondContact O-N 3.15Å; V2266-H2270 PolarHBondContact O-CD2 3.06Å; V2266-H2270 VanDerWaalsContact O-CD2 3.23Å; V2266-H2270 PolarHBondContact O-N 3.1Å; V2266-H2270 VanDerWaalsContact O-N 3.13Å; V2266-F2362 HydrophobicContact CB-CD1 4.17Å; V2266-F2362 HydrophobicContact CB-CE1 3.84Å; V2266-F2362 HydrophobicContact CB-CZ 4.5Å; V2266-F2362 HydrophobicContact CG1-CD1 3.6Å; V2266-F2362 HydrophobicContact CG1-CD2 4.32Å; V2266-F2362 HydrophobicContact CG1-CE1 3.09Å; V2266-F2362 HydrophobicContact CG1-CE2 4.29Å; V2266-F2362 HydrophobicContact CG1-CG 3.97Å; V2266-F2362 HydrophobicContact CG1-CZ 3.59Å; V2266-F2362 VanDerWaalsContact CG1-CZ 3.45Å; V2266-F2362 HydrophobicContact CG2-CD1 3.5Å; V2266-F2362 VanDerWaalsContact CG2-CD1 3.48Å; V2266-F2362 HydrophobicContact CG2-CE1 3.43Å; V2266-F2362 VanDerWaalsContact CG2-CE1 3.43Å; V2266-L2372 HydrophobicContact CG2-CD2 3.71Å; V2266-M2428 VanDerWaalsContact C-SD 3.54Å; V2266-M2428 HydrophobicContact CB-CE 4.44Å; V2266-M2428 HydrophobicContact CB-SD 4.41Å; V2266-M2428 HydrophobicContact CG1-CE 3.9Å; V2266-M2428 HydrophobicContact CG1-CG 4.36Å; V2266-M2428 HydrophobicContact CG1-SD 3.53Å; V2266-M2428 WeakPolarHBondContact CG1-SD 3.43Å; V2266-M2428 VanDerWaalsContact O-SD 3.35Å |
| 2267 | A | 85.2 | Confident | 86.4 | Confident | 0.6 Ų | 0.6 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -34.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L2263 P2264 S2265 H2270 L2271 F2274 M2428 | L2263-A2267 HydrophobicContact CB-CB 4.24Å; P2264-A2267 HydrophobicContact CB-CB 4.46Å; P2264-A2267 HydrophobicContact CG-CB 3.93Å; P2264-A2267 WeakPolarHBondContact O-CA 3.42Å; P2264-A2267 WeakPolarHBondContact O-CB 3.38Å; P2264-A2267 PolarHBondContact O-N 3.28Å; S2265-A2267 VanDerWaalsContact C-N 3.32Å; S2265-A2267 PolarHBondContact O-N 3.13Å; A2267-H2270 CarbonylContact O-C 3.5Å; A2267-H2270 VanDerWaalsContact O-C 3.27Å; A2267-H2270 PolarHBondContact O-N 3.16Å; A2267-L2271 VanDerWaalsContact O-CA 3.28Å; A2267-L2271 WeakPolarHBondContact O-CA 3.3Å; A2267-L2271 PolarHBondContact O-N 3.05Å; A2267-L2271 VanDerWaalsContact O-N 3.08Å; A2267-F2274 HydrophobicContact CB-CD1 4.45Å; A2267-F2274 HydrophobicContact CB-CD2 3.95Å; A2267-F2274 HydrophobicContact CB-CE2 4.2Å; A2267-F2274 HydrophobicContact CB-CG 4.11Å; A2267-M2428 VanDerWaalsContact CA-CE 3.44Å; A2267-M2428 VanDerWaalsContact CA-SD 3.54Å; A2267-M2428 HydrophobicContact CB-CE 3.88Å; A2267-M2428 VanDerWaalsContact CB-CE 3.47Å; A2267-M2428 HydrophobicContact CB-SD 4.35Å |
| 2268 | I | 81.7 | Confident | 86.6 | Confident | 33.6 Ų | 33.6 | 25.3 Ų | 25.3 | 17% | 0.172 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.2 | -37.8 | 177 | -58.8 | 173.6 | 0 | 0 | 0 | 111.2 | L2263 P2264 S2265 V2266 H2270 Y2350 V2396 | L2263-I2268 HydrophobicContact CB-CD1 4.46Å; L2263-I2268 HydrophobicContact CB-CG1 4Å; P2264-I2268 PolarHBondContact O-N 3.09Å; P2264-I2268 VanDerWaalsContact O-N 3.16Å; S2265-I2268 PolarHBondContact O-N 3.14Å; V2266-I2268 VanDerWaalsContact C-N 3.31Å; V2266-I2268 PolarHBondContact O-N 3.19Å; I2268-H2270 VanDerWaalsContact C-N 3.29Å; I2268-H2270 PolarHBondContact O-N 3.17Å; I2268-Y2350 HydrophobicContact CG2-CD1 3.94Å; I2268-Y2350 HydrophobicContact CG2-CE1 4.09Å; I2268-V2396 HydrophobicContact CD1-CB 4.43Å; I2268-V2396 HydrophobicContact CG1-CB 4.26Å; I2268-V2396 HydrophobicContact CG2-CB 4.35Å; I2268-V2396 HydrophobicContact CG2-CG2 4.02Å |
| 2269 | L | 77.1 | Confident | 86.9 | Confident | 97.2 Ų | 97.2 | 21.5 Ų | 21.5 | 51% | 0.509 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -68.4 | -28.1 | 177 | -70.6 | 169.7 | 0 | 0 | 0 | 112.7 | S2265 V2266 P2352 I2353 | S2265-L2269 VanDerWaalsContact O-CG 3.3Å; S2265-L2269 WeakPolarHBondContact O-CG 3.31Å; S2265-L2269 PolarHBondContact O-N 2.88Å; V2266-L2269 PolarHBondContact O-N 3.15Å; L2269-P2352 HydrophobicContact CD2-CG 4.36Å; L2269-P2352 WeakPolarHBondContact O-CA 3.45Å; L2269-P2352 VanDerWaalsContact O-CB 3.23Å; L2269-P2352 WeakPolarHBondContact O-CB 3.4Å; L2269-P2352 WeakPolarHBondContact O-CD 3.47Å; L2269-I2353 HydrophobicContact CD2-CB 4.25Å; L2269-I2353 HydrophobicContact CD2-CD1 3.68Å; L2269-I2353 HydrophobicContact CD2-CG1 3.98Å |
| 2270 | H | 79.6 | Confident | 86.9 | Confident | 20.2 Ų | 20.2 | 22.5 Ų | 22.5 | 9% | 0.094 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 46 | -179.4 | -58.3 | -66.7 | 0 | 0 | 0 | 111.4 | V2266 A2267 I2268 Y2272 P2273 F2274 D2351 P2352 Y2359 F2362 M2428 | V2266-H2270 PolarHBondContact O-CD2 3.06Å; V2266-H2270 VanDerWaalsContact O-CD2 3.23Å; V2266-H2270 PolarHBondContact O-N 3.1Å; V2266-H2270 VanDerWaalsContact O-N 3.13Å; A2267-H2270 CarbonylContact O-C 3.5Å; A2267-H2270 VanDerWaalsContact O-C 3.27Å; A2267-H2270 PolarHBondContact O-N 3.16Å; I2268-H2270 VanDerWaalsContact C-N 3.29Å; I2268-H2270 PolarHBondContact O-N 3.17Å; H2270-Y2272 VanDerWaalsContact C-N 3.28Å; H2270-Y2272 PolarHBondContact O-N 3.19Å; H2270-P2273 HydrophobicContact CB-CG 4.13Å; H2270-P2273 VanDerWaalsContact O-CD 3.28Å; H2270-P2273 WeakPolarHBondContact O-CD 3.33Å; H2270-P2273 VanDerWaalsContact O-CG 3.25Å; H2270-P2273 WeakPolarHBondContact O-CG 3.45Å; H2270-F2274 VanDerWaalsContact O-CB 3.26Å; H2270-F2274 WeakPolarHBondContact O-CB 3.41Å; H2270-F2274 PolarHBondContact O-N 3.05Å; H2270-D2351 IonicContact CE1-OD1 3.65Å; H2270-D2351 PolarHBondContact CE1-OD1 2.96Å; H2270-D2351 IonicContact CG-OD1 2.86Å; H2270-D2351 IonicContact ND1-OD1 3.63Å; H2270-D2351 PolarHBondContact ND1-OD1 3.47Å; H2270-D2351 IonicContact ND1-OD2 3.84Å; H2270-P2352 WeakPolarHBondContact CE1-CB 3.41Å; H2270-P2352 WeakPolarHBondContact ND1-CB 3.4Å; H2270-Y2359 AromaticContact CE1-CD1 3.92Å; H2270-Y2359 AromaticContact CE1-CE1 3.49Å; H2270-Y2359 VanDerWaalsContact CE1-CE1 3.48Å; H2270-Y2359 WeakPolarHBondContact CE1-CE1 3.33Å; H2270-Y2359 AromaticContact ND1-CE1 3.87Å; H2270-Y2359 AromaticContact NE2-CE1 3.8Å; H2270-F2362 AromaticContact CD2-CE2 3.78Å; H2270-F2362 AromaticContact CD2-CZ 3.65Å; H2270-F2362 VanDerWaalsContact CD2-CZ 3.43Å; H2270-F2362 WeakPolarHBondContact CD2-CZ 3.34Å; H2270-F2362 AromaticContact NE2-CE2 3.43Å; H2270-F2362 WeakPolarHBondContact NE2-CE2 3.23Å; H2270-F2362 AromaticContact NE2-CZ 3.48Å; H2270-F2362 WeakPolarHBondContact NE2-CZ 3.45Å; H2270-M2428 HydrophobicContact CB-CE 3.68Å; H2270-M2428 HydrophobicContact CB-CG 4.18Å; H2270-M2428 HydrophobicContact CB-SD 3.77Å; H2270-M2428 WeakPolarHBondContact O-CE 3.43Å |
| 2271 | L | 84.1 | Confident | 87.1 | Confident | 9.4 Ų | 9.4 | 21.9 Ų | 21.9 | 5% | 0.049 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.2 | -33.3 | -170.6 | -167 | 66.3 | 0 | 0 | 0 | 113.4 | L2263 A2267 F2274 S2275 F2337 I2347 Y2350 V2396 | L2263-L2271 HydrophobicContact CD1-CD1 3.98Å; A2267-L2271 VanDerWaalsContact O-CA 3.28Å; A2267-L2271 WeakPolarHBondContact O-CA 3.3Å; A2267-L2271 PolarHBondContact O-N 3.05Å; A2267-L2271 VanDerWaalsContact O-N 3.08Å; L2271-F2274 HydrophobicContact CD1-CD1 4.19Å; L2271-F2274 WeakPolarHBondContact O-CB 3.34Å; L2271-S2275 VanDerWaalsContact O-CB 3.23Å; L2271-S2275 WeakPolarHBondContact O-CB 3.37Å; L2271-S2275 PolarHBondContact O-N 3.25Å; L2271-F2337 HydrophobicContact CD1-CD1 3.76Å; L2271-F2337 HydrophobicContact CD1-CD2 4.45Å; L2271-F2337 HydrophobicContact CD1-CE1 3.71Å; L2271-F2337 HydrophobicContact CD1-CE2 4.44Å; L2271-F2337 HydrophobicContact CD1-CG 4.21Å; L2271-F2337 HydrophobicContact CD1-CZ 4.11Å; L2271-F2337 HydrophobicContact CD2-CB 4.43Å; L2271-F2337 HydrophobicContact CD2-CD1 4.44Å; L2271-F2337 HydrophobicContact CD2-CD2 4.43Å; L2271-F2337 HydrophobicContact CD2-CG 4.23Å; L2271-F2337 HydrophobicContact CG-CD1 4.41Å; L2271-F2337 HydrophobicContact CG-CD2 4.44Å; L2271-F2337 HydrophobicContact CG-CE1 4.4Å; L2271-F2337 HydrophobicContact CG-CG 4.42Å; L2271-I2347 HydrophobicContact CB-CG2 4.26Å; L2271-I2347 HydrophobicContact CD2-CG1 4.34Å; L2271-I2347 HydrophobicContact CD2-CG2 4.34Å; L2271-I2347 HydrophobicContact CG-CG1 4.49Å; L2271-I2347 HydrophobicContact CG-CG2 4.22Å; L2271-Y2350 HydrophobicContact CD2-CD2 3.64Å; L2271-Y2350 HydrophobicContact CD2-CE2 4.25Å; L2271-Y2350 HydrophobicContact CD2-CG 3.93Å; L2271-V2396 HydrophobicContact CD1-CG1 4.31Å; L2271-V2396 HydrophobicContact CD2-CG1 4.08Å |
| 2272 | Y | 82.3 | Confident | 87.2 | Confident | 50 Ų | 50 | 21.9 Ų | 21.9 | 20% | 0.196 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.2 | -57.2 | 178 | -174.8 | -96.7 | 0 | 0 | 0 | 112.9 | H2270 F2274 S2275 Y2276 I2347 H2349 F2679 W2689 G2690 I2692 | H2270-Y2272 VanDerWaalsContact C-N 3.28Å; H2270-Y2272 PolarHBondContact O-N 3.19Å; Y2272-F2274 VanDerWaalsContact C-N 3.26Å; Y2272-F2274 PolarHBondContact O-N 3.18Å; Y2272-S2275 WeakPolarHBondContact O-CB 3.38Å; Y2272-S2275 PolarHBondContact O-N 3.18Å; Y2272-S2275 VanDerWaalsContact O-N 3.14Å; Y2272-Y2276 PolarHBondContact O-N 3.11Å; Y2272-Y2276 VanDerWaalsContact O-N 3.15Å; Y2272-I2347 VanDerWaalsContact CA-CG2 3.45Å; Y2272-I2347 HydrophobicContact CD2-CB 4.4Å; Y2272-I2347 HydrophobicContact CD2-CG2 3.82Å; Y2272-I2347 HydrophobicContact CG-CG2 4.22Å; Y2272-H2349 AromaticContact CD1-ND1 3.73Å; Y2272-H2349 AromaticContact CD2-CE1 3.53Å; Y2272-H2349 WeakPolarHBondContact CD2-CE1 3.39Å; Y2272-H2349 AromaticContact CD2-ND1 3.38Å; Y2272-H2349 VanDerWaalsContact CD2-ND1 3.35Å; Y2272-H2349 WeakPolarHBondContact CD2-ND1 3.38Å; Y2272-H2349 AromaticContact CE1-CE1 3.94Å; Y2272-H2349 AromaticContact CE1-ND1 3.75Å; Y2272-H2349 AromaticContact CE2-CE1 3.26Å; Y2272-H2349 WeakPolarHBondContact CE2-CE1 3.49Å; Y2272-H2349 AromaticContact CE2-ND1 3.46Å; Y2272-H2349 WeakPolarHBondContact CE2-ND1 3.34Å; Y2272-H2349 AromaticContact CE2-NE2 3.86Å; Y2272-H2349 AromaticContact CG-CE1 3.95Å; Y2272-H2349 AromaticContact CG-ND1 3.67Å; Y2272-H2349 AromaticContact CZ-CE1 3.27Å; Y2272-H2349 AromaticContact CZ-ND1 3.57Å; Y2272-F2679 HydrophobicContact CE1-CE1 4.5Å; Y2272-W2689 HydrophobicContact CD1-CB 4.29Å; Y2272-W2689 HydrophobicContact CD1-CG 4.32Å; Y2272-W2689 HydrophobicContact CD2-CD2 4.31Å; Y2272-W2689 AromaticContact CD2-CE3 3.93Å; Y2272-W2689 HydrophobicContact CD2-CE3 3.93Å; Y2272-W2689 HydrophobicContact CD2-CH2 4Å; Y2272-W2689 HydrophobicContact CD2-CZ2 4.47Å; Y2272-W2689 AromaticContact CD2-CZ3 3.72Å; Y2272-W2689 HydrophobicContact CD2-CZ3 3.72Å; Y2272-W2689 HydrophobicContact CE1-CB 4.02Å; Y2272-W2689 HydrophobicContact CE1-CE3 4.34Å; Y2272-W2689 HydrophobicContact CE1-CG 4.28Å; Y2272-W2689 HydrophobicContact CE2-CB 4.2Å; Y2272-W2689 AromaticContact CE2-CD2 3.2Å; Y2272-W2689 HydrophobicContact CE2-CD2 3.2Å; Y2272-W2689 AromaticContact CE2-CE2 3.79Å; Y2272-W2689 AromaticContact CE2-CE3 2.93Å; Y2272-W2689 HydrophobicContact CE2-CE3 2.93Å; Y2272-W2689 AromaticContact CE2-CG 3.79Å; Y2272-W2689 HydrophobicContact CE2-CG 3.79Å; Y2272-W2689 AromaticContact CE2-CH2 3.75Å; Y2272-W2689 HydrophobicContact CE2-CH2 3.75Å; Y2272-W2689 HydrophobicContact CE2-CZ2 4.05Å; Y2272-W2689 AromaticContact CE2-CZ3 3.2Å; Y2272-W2689 HydrophobicContact CE2-CZ3 3.2Å; Y2272-W2689 AromaticContact CZ-CD2 3.63Å; Y2272-W2689 AromaticContact CZ-CE3 3.15Å; Y2272-W2689 AromaticContact CZ-CG 4Å; Y2272-W2689 AromaticContact CZ-CZ3 3.72Å; Y2272-W2689 WeakPolarHBondContact OH-CA 3.44Å; Y2272-W2689 WeakPolarHBondContact OH-CB 3.36Å; Y2272-W2689 VanDerWaalsContact OH-CD2 3.3Å; Y2272-G2690 PolarHBondContact OH-N 3.3Å; Y2272-I2692 HydrophobicContact CD1-CD1 3.97Å; Y2272-I2692 HydrophobicContact CD1-CG1 4.36Å; Y2272-I2692 HydrophobicContact CE1-CD1 3.64Å; Y2272-I2692 VanDerWaalsContact CE1-CD1 3.47Å; Y2272-I2692 HydrophobicContact CE1-CG1 4.05Å |
| 2273 | P | 84.2 | Confident | 87.3 | Confident | 7.6 Ų | 7.6 | 24.7 Ų | 24.7 | 5% | 0.049 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.5 | -35.5 | 172 | -4.5 | 5.4 | 0 | 0 | 0 | 113.4 | H2270 S2275 Y2276 Y2277 Y2432 I2692 | H2270-P2273 HydrophobicContact CB-CG 4.13Å; H2270-P2273 VanDerWaalsContact O-CD 3.28Å; H2270-P2273 WeakPolarHBondContact O-CD 3.33Å; H2270-P2273 VanDerWaalsContact O-CG 3.25Å; H2270-P2273 WeakPolarHBondContact O-CG 3.45Å; P2273-S2275 VanDerWaalsContact C-N 3.35Å; P2273-S2275 PolarHBondContact O-N 3.2Å; P2273-Y2276 WeakPolarHBondContact O-CB 3.32Å; P2273-Y2276 PolarHBondContact O-N 3.2Å; P2273-Y2277 HydrophobicContact CB-CE2 4.06Å; P2273-Y2277 VanDerWaalsContact O-CD2 3.25Å; P2273-Y2277 WeakPolarHBondContact O-CD2 3.39Å; P2273-Y2277 VanDerWaalsContact O-CG 3.3Å; P2273-Y2277 PolarHBondContact O-N 3.15Å; P2273-Y2432 HydrophobicContact CB-CD2 4.49Å; P2273-Y2432 HydrophobicContact CB-CE2 3.45Å; P2273-Y2432 VanDerWaalsContact CB-CE2 3.45Å; P2273-Y2432 WeakPolarHBondContact CB-OH 3.34Å; P2273-Y2432 HydrophobicContact CG-CD2 4.37Å; P2273-Y2432 HydrophobicContact CG-CE2 3.73Å; P2273-Y2432 WeakPolarHBondContact CG-OH 3.24Å; P2273-I2692 HydrophobicContact CB-CG2 3.89Å |
| 2274 | F | 89.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.4 | -49.7 | 173.7 | 178 | -109.8 | 0 | 0 | 0 | 111.9 | L2263 A2267 H2270 L2271 Y2272 Y2276 Y2277 L2278 F2337 I2421 A2424 C2425 M2428 | L2263-F2274 HydrophobicContact CD1-CD1 4.39Å; L2263-F2274 HydrophobicContact CD1-CE1 4.02Å; L2263-F2274 HydrophobicContact CD2-CE1 3.68Å; L2263-F2274 HydrophobicContact CD2-CE2 4.5Å; L2263-F2274 HydrophobicContact CD2-CZ 3.61Å; L2263-F2274 HydrophobicContact CG-CE1 4.48Å; A2267-F2274 HydrophobicContact CB-CD1 4.45Å; A2267-F2274 HydrophobicContact CB-CD2 3.95Å; A2267-F2274 HydrophobicContact CB-CE2 4.2Å; A2267-F2274 HydrophobicContact CB-CG 4.11Å; H2270-F2274 VanDerWaalsContact O-CB 3.26Å; H2270-F2274 WeakPolarHBondContact O-CB 3.41Å; H2270-F2274 PolarHBondContact O-N 3.05Å; L2271-F2274 HydrophobicContact CD1-CD1 4.19Å; L2271-F2274 WeakPolarHBondContact O-CB 3.34Å; Y2272-F2274 VanDerWaalsContact C-N 3.26Å; Y2272-F2274 PolarHBondContact O-N 3.18Å; F2274-Y2276 VanDerWaalsContact C-N 3.26Å; F2274-Y2276 PolarHBondContact O-N 3.08Å; F2274-Y2277 PolarHBondContact O-N 3.11Å; F2274-L2278 HydrophobicContact CE1-CB 4.46Å; F2274-L2278 HydrophobicContact CE1-CD2 3.79Å; F2274-L2278 HydrophobicContact CZ-CB 4.41Å; F2274-L2278 HydrophobicContact CZ-CD2 3.99Å; F2274-L2278 VanDerWaalsContact O-CB 3.25Å; F2274-L2278 WeakPolarHBondContact O-CB 3.4Å; F2274-L2278 PolarHBondContact O-N 3.14Å; F2274-F2337 AromaticContact CD1-CE1 3.87Å; F2274-F2337 HydrophobicContact CD1-CE1 3.95Å; F2274-F2337 AromaticContact CD1-CZ 3.92Å; F2274-F2337 HydrophobicContact CD1-CZ 3.94Å; F2274-F2337 AromaticContact CE1-CE1 3.82Å; F2274-F2337 HydrophobicContact CE1-CE1 3.82Å; F2274-F2337 AromaticContact CE1-CZ 3.99Å; F2274-F2337 HydrophobicContact CE1-CZ 4.09Å; F2274-I2421 HydrophobicContact CE2-CG2 4.47Å; F2274-I2421 HydrophobicContact CZ-CG2 4.04Å; F2274-A2424 HydrophobicContact CD2-CB 4.01Å; F2274-A2424 HydrophobicContact CE2-CB 3.62Å; F2274-A2424 HydrophobicContact CZ-CB 4.39Å; F2274-C2425 VanDerWaalsContact CE2-SG 3.55Å; F2274-M2428 VanDerWaalsContact CA-CE 3.46Å; F2274-M2428 HydrophobicContact CB-CE 3.57Å; F2274-M2428 HydrophobicContact CD2-CE 3.75Å; F2274-M2428 HydrophobicContact CE2-CE 4.29Å; F2274-M2428 HydrophobicContact CG-CE 3.82Å |
| 2275 | S | 90.3 | Very high | 87.4 | Confident | 8.2 Ų | 8.2 | 29.3 Ų | 29.3 | 6% | 0.057 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -41 | 179.2 | -176.2 | 0 | 0 | 0 | 0 | 111.5 | L2271 Y2272 P2273 S2279 Q2335 I2347 | L2271-S2275 VanDerWaalsContact O-CB 3.23Å; L2271-S2275 WeakPolarHBondContact O-CB 3.37Å; L2271-S2275 PolarHBondContact O-N 3.25Å; Y2272-S2275 WeakPolarHBondContact O-CB 3.38Å; Y2272-S2275 PolarHBondContact O-N 3.18Å; Y2272-S2275 VanDerWaalsContact O-N 3.14Å; P2273-S2275 VanDerWaalsContact C-N 3.35Å; P2273-S2275 PolarHBondContact O-N 3.2Å; S2275-S2279 WeakPolarHBondContact O-CB 3.36Å; S2275-S2279 PolarHBondContact O-N 3.15Å; S2275-S2279 PolarHBondContact O-OG 3.07Å; S2275-Q2335 PolarHBondContact OG-NE2 2.77Å; S2275-I2347 WeakPolarHBondContact OG-CD1 3.3Å |
| 2276 | Y | 89 | Confident | 88 | Confident | 66.2 Ų | 66.2 | 26.5 Ų | 26.5 | 26% | 0.26 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -64.6 | -50.5 | 176.8 | -177.3 | -105.4 | 0 | 0 | 0 | 112.4 | Y2272 P2273 F2274 L2278 S2279 Q2280 P2677 F2679 I2692 R2694 | Y2272-Y2276 PolarHBondContact O-N 3.11Å; Y2272-Y2276 VanDerWaalsContact O-N 3.15Å; P2273-Y2276 WeakPolarHBondContact O-CB 3.32Å; P2273-Y2276 PolarHBondContact O-N 3.2Å; F2274-Y2276 VanDerWaalsContact C-N 3.26Å; F2274-Y2276 PolarHBondContact O-N 3.08Å; Y2276-L2278 VanDerWaalsContact C-N 3.32Å; Y2276-L2278 PolarHBondContact O-N 3.17Å; Y2276-S2279 WeakPolarHBondContact O-CB 3.44Å; Y2276-S2279 PolarHBondContact O-N 3.23Å; Y2276-S2279 VanDerWaalsContact O-N 3.14Å; Y2276-Q2280 HydrophobicContact CE1-CG 4.36Å; Y2276-Q2280 VanDerWaalsContact CZ-NE2 3.27Å; Y2276-Q2280 WeakPolarHBondContact O-CG 3.34Å; Y2276-Q2280 PolarHBondContact O-N 3.2Å; Y2276-Q2280 PolarHBondContact OH-NE2 2.94Å; Y2276-Q2280 VanDerWaalsContact OH-NE2 3.14Å; Y2276-P2677 PolarHBondContact OH-O 3.22Å; Y2276-P2677 VanDerWaalsContact OH-O 3.06Å; Y2276-F2679 HydrophobicContact CD1-CB 4.16Å; Y2276-F2679 HydrophobicContact CD2-CB 4.05Å; Y2276-F2679 AromaticContact CD2-CD2 3.94Å; Y2276-F2679 HydrophobicContact CD2-CD2 4.02Å; Y2276-F2679 HydrophobicContact CD2-CG 4.24Å; Y2276-F2679 HydrophobicContact CE1-CB 3.81Å; Y2276-F2679 HydrophobicContact CE2-CB 3.72Å; Y2276-F2679 AromaticContact CE2-CD2 3.69Å; Y2276-F2679 HydrophobicContact CE2-CD2 3.69Å; Y2276-F2679 HydrophobicContact CE2-CG 4.07Å; Y2276-F2679 HydrophobicContact CG-CB 4.27Å; Y2276-I2692 VanDerWaalsContact CB-CD1 3.48Å; Y2276-I2692 HydrophobicContact CD1-CB 4.27Å; Y2276-I2692 HydrophobicContact CD1-CD1 4.01Å; Y2276-I2692 HydrophobicContact CD1-CG2 3.99Å; Y2276-I2692 HydrophobicContact CD2-CD1 4.34Å; Y2276-I2692 HydrophobicContact CG-CD1 3.7Å; Y2276-R2694 HydrophobicContact CE1-CG 4.36Å |
| 2277 | Y | 92.7 | Very high | 88.6 | Confident | 7.4 Ų | 7.4 | 28.7 Ų | 28.7 | 3% | 0.029 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.5 | -60.6 | -40 | 0 | 0 | 0 | 112.3 | P2273 F2274 S2279 Q2280 H2281 D2427 M2428 E2431 Y2432 I2692 P2693 R2694 | P2273-Y2277 HydrophobicContact CB-CE2 4.06Å; P2273-Y2277 VanDerWaalsContact O-CD2 3.25Å; P2273-Y2277 WeakPolarHBondContact O-CD2 3.39Å; P2273-Y2277 VanDerWaalsContact O-CG 3.3Å; P2273-Y2277 PolarHBondContact O-N 3.15Å; F2274-Y2277 PolarHBondContact O-N 3.11Å; Y2277-S2279 VanDerWaalsContact C-N 3.34Å; Y2277-S2279 PolarHBondContact O-N 2.93Å; Y2277-Q2280 WeakPolarHBondContact O-CB 3.33Å; Y2277-Q2280 PolarHBondContact O-N 3.16Å; Y2277-H2281 PolarHBondContact O-CD2 3.22Å; Y2277-H2281 PolarHBondContact O-N 3.13Å; Y2277-H2281 VanDerWaalsContact O-N 3.13Å; Y2277-D2427 HydrophobicContact CD2-CB 4.27Å; Y2277-D2427 HydrophobicContact CG-CB 4.27Å; Y2277-M2428 HydrophobicContact CD2-CB 3.99Å; Y2277-M2428 HydrophobicContact CE2-CB 4.07Å; Y2277-M2428 HydrophobicContact CE2-CG 4.38Å; Y2277-E2431 HydrophobicContact CE2-CB 4.47Å; Y2277-E2431 HydrophobicContact CE2-CG 4.43Å; Y2277-E2431 WeakPolarHBondContact OH-CG 3.3Å; Y2277-Y2432 HydrophobicContact CE2-CD2 4.39Å; Y2277-Y2432 AromaticContact CE2-CE2 3.93Å; Y2277-Y2432 HydrophobicContact CE2-CE2 4.02Å; Y2277-Y2432 WeakPolarHBondContact OH-CE2 3.38Å; Y2277-I2692 HydrophobicContact CE1-CG2 3.78Å; Y2277-I2692 WeakPolarHBondContact OH-CG2 3.35Å; Y2277-P2693 PolarHBondContact OH-O 2.89Å; Y2277-R2694 VanDerWaalsContact CE1-CD 3.4Å; Y2277-R2694 HydrophobicContact CE1-CG 4.2Å |
| 2278 | L | 94.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 174.1 | 178.1 | 57.9 | 0 | 0 | 0 | 110.6 | F2274 Y2276 Q2280 H2281 L2282 F2337 F2400 A2420 I2421 A2424 | F2274-L2278 HydrophobicContact CE1-CB 4.46Å; F2274-L2278 HydrophobicContact CE1-CD2 3.79Å; F2274-L2278 HydrophobicContact CZ-CB 4.41Å; F2274-L2278 HydrophobicContact CZ-CD2 3.99Å; F2274-L2278 VanDerWaalsContact O-CB 3.25Å; F2274-L2278 WeakPolarHBondContact O-CB 3.4Å; F2274-L2278 PolarHBondContact O-N 3.14Å; Y2276-L2278 VanDerWaalsContact C-N 3.32Å; Y2276-L2278 PolarHBondContact O-N 3.17Å; L2278-Q2280 VanDerWaalsContact C-N 3.28Å; L2278-Q2280 PolarHBondContact O-N 3.13Å; L2278-H2281 PolarHBondContact O-N 3.2Å; L2278-H2281 VanDerWaalsContact O-N 3.12Å; L2278-L2282 HydrophobicContact CD1-CD1 3.91Å; L2278-L2282 HydrophobicContact CD1-CD2 4.23Å; L2278-L2282 HydrophobicContact CD1-CG 3.87Å; L2278-L2282 HydrophobicContact CD2-CD1 4.47Å; L2278-L2282 HydrophobicContact CG-CD1 3.74Å; L2278-L2282 HydrophobicContact CG-CG 4.17Å; L2278-L2282 WeakPolarHBondContact O-CB 3.26Å; L2278-L2282 VanDerWaalsContact O-CG 3.26Å; L2278-L2282 WeakPolarHBondContact O-CG 3.39Å; L2278-L2282 PolarHBondContact O-N 3.2Å; L2278-F2337 HydrophobicContact CD2-CZ 4.26Å; L2278-F2400 HydrophobicContact CD2-CZ 4.21Å; L2278-A2420 HydrophobicContact CD1-CB 4.12Å; L2278-I2421 HydrophobicContact CD1-CG1 3.79Å; L2278-I2421 HydrophobicContact CD2-CG1 4.44Å; L2278-A2424 HydrophobicContact CB-CB 3.89Å; L2278-A2424 HydrophobicContact CD1-CB 4.43Å |
| 2279 | S | 93.5 | Very high | 89.1 | Confident | 19.6 Ų | 19.6 | 31.3 Ų | 31.3 | 14% | 0.137 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | S2275 Y2276 Y2277 H2281 L2282 S2283 I2317 Y2319 | S2275-S2279 WeakPolarHBondContact O-CB 3.36Å; S2275-S2279 PolarHBondContact O-N 3.15Å; S2275-S2279 PolarHBondContact O-OG 3.07Å; Y2276-S2279 WeakPolarHBondContact O-CB 3.44Å; Y2276-S2279 PolarHBondContact O-N 3.23Å; Y2276-S2279 VanDerWaalsContact O-N 3.14Å; Y2277-S2279 VanDerWaalsContact C-N 3.34Å; Y2277-S2279 PolarHBondContact O-N 2.93Å; S2279-H2281 PolarHBondContact O-N 2.81Å; S2279-L2282 PolarHBondContact O-N 3.18Å; S2279-S2283 VanDerWaalsContact O-CB 3.27Å; S2279-S2283 WeakPolarHBondContact O-CB 3.4Å; S2279-S2283 PolarHBondContact O-N 3.15Å; S2279-S2283 PolarHBondContact O-OG 2.9Å; S2279-I2317 VanDerWaalsContact OG-CD1 3.26Å; S2279-I2317 WeakPolarHBondContact OG-CD1 3.39Å; S2279-Y2319 WeakPolarHBondContact CA-OH 3.26Å; S2279-Y2319 WeakPolarHBondContact CB-OH 3.41Å; S2279-Y2319 PolarHBondContact OG-OH 3.3Å; S2279-Y2319 VanDerWaalsContact OG-OH 3.13Å |
| 2280 | Q | 92.6 | Very high | 89.7 | Confident | 36 Ų | 36 | 31.2 Ų | 31.2 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -43.1 | 175 | -84.7 | 179.7 | -22.5 | 0 | 0 | 112.4 | Y2276 Y2277 L2278 S2283 Y2676 P2677 | Y2276-Q2280 HydrophobicContact CE1-CG 4.36Å; Y2276-Q2280 VanDerWaalsContact CZ-NE2 3.27Å; Y2276-Q2280 WeakPolarHBondContact O-CG 3.34Å; Y2276-Q2280 PolarHBondContact O-N 3.2Å; Y2276-Q2280 PolarHBondContact OH-NE2 2.94Å; Y2276-Q2280 VanDerWaalsContact OH-NE2 3.14Å; Y2277-Q2280 WeakPolarHBondContact O-CB 3.33Å; Y2277-Q2280 PolarHBondContact O-N 3.16Å; L2278-Q2280 VanDerWaalsContact C-N 3.28Å; L2278-Q2280 PolarHBondContact O-N 3.13Å; Q2280-S2283 PolarHBondContact O-N 2.88Å; Q2280-Y2676 HydrophobicContact CB-CD1 3.75Å; Q2280-Y2676 HydrophobicContact CB-CE1 3.91Å; Q2280-Y2676 HydrophobicContact CB-CG 4.33Å; Q2280-Y2676 HydrophobicContact CG-CD1 4.14Å; Q2280-Y2676 WeakPolarHBondContact O-CE1 3.46Å; Q2280-P2677 PolarHBondContact NE2-O 3.16Å |
| 2281 | H | 94.4 | Very high | 90.1 | Very high | 2.6 Ų | 2.6 | 32.9 Ų | 32.9 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.8 | -39.5 | 178.2 | -71.3 | -60.7 | 0 | 0 | 0 | 112.6 | Y2277 L2278 S2279 S2283 S2284 A2420 D2427 S2553 Y2676 | Y2277-H2281 PolarHBondContact O-CD2 3.22Å; Y2277-H2281 PolarHBondContact O-N 3.13Å; Y2277-H2281 VanDerWaalsContact O-N 3.13Å; L2278-H2281 PolarHBondContact O-N 3.2Å; L2278-H2281 VanDerWaalsContact O-N 3.12Å; S2279-H2281 PolarHBondContact O-N 2.81Å; H2281-S2283 VanDerWaalsContact C-N 3.3Å; H2281-S2283 PolarHBondContact O-N 3.14Å; H2281-S2284 WeakPolarHBondContact O-CB 3.38Å; H2281-S2284 PolarHBondContact O-N 3.2Å; H2281-S2284 PolarHBondContact O-OG 3.18Å; H2281-A2420 HydrophobicContact CB-CB 3.87Å; H2281-D2427 IonicContact CD2-OD2 3.34Å; H2281-D2427 IonicContact CE1-OD2 3.13Å; H2281-D2427 PolarHBondContact CE1-OD2 2.99Å; H2281-D2427 VanDerWaalsContact CE1-OD2 3.23Å; H2281-D2427 IonicContact NE2-OD2 3.42Å; H2281-D2427 PolarHBondContact NE2-OD2 3.02Å; H2281-S2553 PolarHBondContact CE1-OG 3.08Å; H2281-S2553 PolarHBondContact ND1-OG 2.92Å; H2281-Y2676 AromaticContact CE1-CE2 3.77Å; H2281-Y2676 PolarHBondContact ND1-OH 2.78Å |
| 2282 | L | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | 175.8 | -67.9 | 174.5 | 0 | 0 | 0 | 111.6 | L2278 S2279 S2284 F2285 M2286 Y2319 Q2335 F2400 I2417 A2420 | L2278-L2282 HydrophobicContact CD1-CD1 3.91Å; L2278-L2282 HydrophobicContact CD1-CD2 4.23Å; L2278-L2282 HydrophobicContact CD1-CG 3.87Å; L2278-L2282 HydrophobicContact CD2-CD1 4.47Å; L2278-L2282 HydrophobicContact CG-CD1 3.74Å; L2278-L2282 HydrophobicContact CG-CG 4.17Å; L2278-L2282 WeakPolarHBondContact O-CB 3.26Å; L2278-L2282 VanDerWaalsContact O-CG 3.26Å; L2278-L2282 WeakPolarHBondContact O-CG 3.39Å; L2278-L2282 PolarHBondContact O-N 3.2Å; S2279-L2282 PolarHBondContact O-N 3.18Å; L2282-S2284 PolarHBondContact O-N 2.97Å; L2282-S2284 VanDerWaalsContact O-N 3.09Å; L2282-F2285 HydrophobicContact CD2-CE1 4.35Å; L2282-F2285 HydrophobicContact CD2-CZ 3.81Å; L2282-F2285 PolarHBondContact O-N 3.14Å; L2282-F2285 VanDerWaalsContact O-N 3.14Å; L2282-M2286 HydrophobicContact CB-CE 3.7Å; L2282-M2286 HydrophobicContact CD1-CE 4.31Å; L2282-M2286 HydrophobicContact CD2-CE 3.59Å; L2282-M2286 VanDerWaalsContact CD2-CE 3.45Å; L2282-M2286 HydrophobicContact CG-CE 3.98Å; L2282-M2286 PolarHBondContact O-N 3.07Å; L2282-Y2319 HydrophobicContact CB-CE1 4.32Å; L2282-Y2319 HydrophobicContact CD1-CE2 3.91Å; L2282-Q2335 VanDerWaalsContact CD1-OE1 3.25Å; L2282-F2400 HydrophobicContact CD1-CE1 3.7Å; L2282-F2400 HydrophobicContact CD1-CZ 4.12Å; L2282-F2400 HydrophobicContact CD2-CE1 4.25Å; L2282-I2417 HydrophobicContact CD2-CG1 4.3Å; L2282-A2420 HydrophobicContact CD2-CB 3.71Å; L2282-A2420 HydrophobicContact CG-CB 4.27Å |
| 2283 | S | 92.3 | Very high | 90.1 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 46% | 0.462 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -7.7 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 113.9 | S2279 Q2280 H2281 F2285 M2286 | S2279-S2283 VanDerWaalsContact O-CB 3.27Å; S2279-S2283 WeakPolarHBondContact O-CB 3.4Å; S2279-S2283 PolarHBondContact O-N 3.15Å; S2279-S2283 PolarHBondContact O-OG 2.9Å; Q2280-S2283 PolarHBondContact O-N 2.88Å; H2281-S2283 VanDerWaalsContact C-N 3.3Å; H2281-S2283 PolarHBondContact O-N 3.14Å; S2283-F2285 VanDerWaalsContact C-N 3.33Å; S2283-M2286 VanDerWaalsContact CA-O 3.32Å; S2283-M2286 WeakPolarHBondContact CA-O 3.4Å |
| 2284 | S | 89.8 | Confident | 89.7 | Confident | 75.4 Ų | 75.4 | 40.7 Ų | 40.7 | 53% | 0.527 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.1 | 174.8 | 70.8 | 0 | 0 | 0 | 0 | 113.7 | H2281 L2282 | H2281-S2284 WeakPolarHBondContact O-CB 3.38Å; H2281-S2284 PolarHBondContact O-N 3.2Å; H2281-S2284 PolarHBondContact O-OG 3.18Å; L2282-S2284 PolarHBondContact O-N 2.97Å; L2282-S2284 VanDerWaalsContact O-N 3.09Å |
| 2285 | F | 91.1 | Very high | 89 | Confident | 46.6 Ų | 46.6 | 47.4 Ų | 47.4 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.1 | -0.2 | 179.9 | 63.8 | -90.5 | 0 | 0 | 0 | 113.9 | L2282 S2283 Y2321 L2413 L2416 I2417 A2420 | L2282-F2285 HydrophobicContact CD2-CE1 4.35Å; L2282-F2285 HydrophobicContact CD2-CZ 3.81Å; L2282-F2285 PolarHBondContact O-N 3.14Å; L2282-F2285 VanDerWaalsContact O-N 3.14Å; S2283-F2285 VanDerWaalsContact C-N 3.33Å; F2285-Y2321 HydrophobicContact CD2-CD2 4.04Å; F2285-Y2321 HydrophobicContact CD2-CE2 4.07Å; F2285-L2413 HydrophobicContact CE2-CD1 4.33Å; F2285-L2416 HydrophobicContact CD2-CB 4.3Å; F2285-L2416 HydrophobicContact CD2-CD1 4.02Å; F2285-L2416 HydrophobicContact CE1-CB 4.26Å; F2285-L2416 HydrophobicContact CE2-CB 3.78Å; F2285-L2416 HydrophobicContact CE2-CD1 4.25Å; F2285-L2416 HydrophobicContact CE2-CG 4.49Å; F2285-L2416 HydrophobicContact CG-CD1 4.46Å; F2285-L2416 HydrophobicContact CZ-CB 3.76Å; F2285-I2417 HydrophobicContact CZ-CG1 4.48Å; F2285-A2420 HydrophobicContact CE1-CB 4.24Å; F2285-A2420 HydrophobicContact CZ-CB 4.45Å |
| 2286 | M | 92 | Very high | 88.3 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.6 | 172.1 | -55.5 | -171.1 | -96.9 | 0 | 0 | 110.8 | L2282 S2283 Y2319 I2320 Y2321 V2333 L2413 I2417 | L2282-M2286 HydrophobicContact CB-CE 3.7Å; L2282-M2286 HydrophobicContact CD1-CE 4.31Å; L2282-M2286 HydrophobicContact CD2-CE 3.59Å; L2282-M2286 VanDerWaalsContact CD2-CE 3.45Å; L2282-M2286 HydrophobicContact CG-CE 3.98Å; L2282-M2286 PolarHBondContact O-N 3.07Å; S2283-M2286 VanDerWaalsContact CA-O 3.32Å; S2283-M2286 WeakPolarHBondContact CA-O 3.4Å; M2286-Y2319 HydrophobicContact CB-CD1 4.3Å; M2286-Y2319 HydrophobicContact CB-CG 4.3Å; M2286-Y2319 HydrophobicContact CE-CD2 4.32Å; M2286-Y2319 HydrophobicContact CE-CG 4.33Å; M2286-Y2319 HydrophobicContact SD-CD2 4.47Å; M2286-Y2319 HydrophobicContact SD-CG 4.35Å; M2286-I2320 CarbonylContact C-O 3.57Å; M2286-I2320 WeakPolarHBondContact CA-O 3.38Å; M2286-Y2321 HydrophobicContact CG-CD2 3.99Å; M2286-Y2321 HydrophobicContact CG-CG 4.36Å; M2286-V2333 HydrophobicContact CE-CG1 4.28Å; M2286-V2333 HydrophobicContact CE-CG2 4.37Å; M2286-V2333 HydrophobicContact SD-CB 4.02Å; M2286-V2333 HydrophobicContact SD-CG1 4.2Å; M2286-V2333 HydrophobicContact SD-CG2 3.96Å; M2286-L2413 HydrophobicContact CE-CD1 3.59Å; M2286-L2413 HydrophobicContact SD-CD1 4.46Å; M2286-I2417 HydrophobicContact CE-CD1 4.04Å; M2286-I2417 HydrophobicContact CE-CG1 3.77Å |
| 2287 | D | 89.4 | Confident | 87.8 | Confident | 54.6 Ų | 54.6 | 49.7 Ų | 49.7 | 29% | 0.292 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 141.2 | -176.8 | -64.4 | -59.4 | 0 | 0 | 0 | 110.9 | F2233 Y2319 I2320 R2322 | F2233-D2287 HydrophobicContact CE1-CB 4.43Å; F2233-D2287 WeakPolarHBondContact CE1-OD2 3.34Å; F2233-D2287 HydrophobicContact CZ-CB 4.02Å; D2287-Y2319 CarbonylContact O-C 3.57Å; D2287-Y2319 WeakPolarHBondContact O-CA 3.34Å; D2287-I2320 PolarHBondContact N-O 3.13Å; D2287-I2320 PolarHBondContact O-N 3.06Å; D2287-R2322 IonicContact OD2-NE 3.34Å; D2287-R2322 IonicContact OD2-NH2 3.44Å; D2287-R2322 PolarHBondContact OD2-NH2 3.46Å |
| 2288 | A | 88.6 | Confident | 87.3 | Confident | 69.8 Ų | 69.8 | 49.8 Ų | 49.8 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 125.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 2289 | P | 88.9 | Confident | 86.2 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 139.6 | -178.9 | 27.2 | -33.4 | 0 | 0 | 0 | 111.3 | F2241 Y2291 F2298 T2318 I2320 | F2241-P2289 HydrophobicContact CD2-CB 4.15Å; F2241-P2289 HydrophobicContact CE2-CB 4.19Å; P2289-Y2291 HydrophobicContact CB-CE1 4.03Å; P2289-Y2291 HydrophobicContact CG-CE1 4.36Å; P2289-Y2291 HydrophobicContact CG-CE2 4.37Å; P2289-Y2291 VanDerWaalsContact CG-OH 3.26Å; P2289-Y2291 WeakPolarHBondContact CG-OH 3.31Å; P2289-F2298 HydrophobicContact CB-CD2 4.25Å; P2289-F2298 HydrophobicContact CB-CE2 3.79Å; P2289-F2298 HydrophobicContact CG-CD2 4.22Å; P2289-F2298 HydrophobicContact CG-CE2 4.22Å; P2289-T2318 WeakPolarHBondContact CD-O 3.38Å; P2289-T2318 HydrophobicContact CG-CG2 4.04Å; P2289-I2320 HydrophobicContact CB-CD1 4.37Å; P2289-I2320 HydrophobicContact CB-CG1 3.89Å; P2289-I2320 HydrophobicContact CG-CG1 4.47Å |
| 2290 | K | 88.7 | Confident | 84.9 | Confident | 95.2 Ų | 95.2 | 53.2 Ų | 53.2 | 41% | 0.414 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143.3 | 172 | -64.8 | -177.8 | 178.9 | 178.4 | 0 | 109.3 | N2238 R2240 F2241 | N2238-K2290 HydrophobicContact CB-CD 4.33Å; N2238-K2290 PolarHBondContact OD1-NZ 3.3Å; R2240-K2290 CarbonylContact C-O 3.55Å; R2240-K2290 WeakPolarHBondContact CA-O 3.28Å; R2240-K2290 HydrophobicContact CG-CB 4.16Å; F2241-K2290 WeakPolarHBondContact CD2-O 3.44Å; F2241-K2290 PolarHBondContact N-O 3.25Å |
| 2291 | Y | 88.4 | Confident | 83.5 | Confident | 55.8 Ų | 55.8 | 58.1 Ų | 58.1 | 22% | 0.219 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 146.5 | -172.5 | -51.9 | -69.6 | 0 | 0 | 0 | 111.1 | R2240 F2241 I2246 P2289 S2293 A2296 K2297 F2298 | R2240-Y2291 PolarHBondContact NE-O 3.03Å; R2240-Y2291 PolarHBondContact NH2-O 3.39Å; R2240-Y2291 VanDerWaalsContact NH2-O 3.16Å; F2241-Y2291 HydrophobicContact CB-CD1 4.47Å; I2246-Y2291 HydrophobicContact CD1-CD1 3.86Å; I2246-Y2291 HydrophobicContact CD1-CE1 3.95Å; P2289-Y2291 HydrophobicContact CB-CE1 4.03Å; P2289-Y2291 HydrophobicContact CG-CE1 4.36Å; P2289-Y2291 HydrophobicContact CG-CE2 4.37Å; P2289-Y2291 VanDerWaalsContact CG-OH 3.26Å; P2289-Y2291 WeakPolarHBondContact CG-OH 3.31Å; Y2291-S2293 WeakPolarHBondContact CB-O 3.32Å; Y2291-A2296 VanDerWaalsContact CB-O 3.3Å; Y2291-A2296 WeakPolarHBondContact CB-O 3.42Å; Y2291-A2296 WeakPolarHBondContact CD1-O 3.34Å; Y2291-A2296 WeakPolarHBondContact CE1-O 3.33Å; Y2291-K2297 HydrophobicContact CD2-CG 4.07Å; Y2291-K2297 HydrophobicContact CE2-CG 4.02Å; Y2291-K2297 HydrophobicContact CG-CG 4.38Å; Y2291-F2298 AromaticContact CE1-CD2 3.68Å; Y2291-F2298 HydrophobicContact CE1-CD2 3.68Å; Y2291-F2298 AromaticContact CE1-CE2 3.86Å; Y2291-F2298 HydrophobicContact CE1-CE2 3.86Å; Y2291-F2298 AromaticContact CZ-CD2 3.97Å; Y2291-F2298 WeakPolarHBondContact OH-CD2 3.32Å |
| 2292 | V | 84.9 | Confident | 81.7 | Confident | 90 Ų | 90 | 62.4 Ų | 62.4 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -72.5 | -41.8 | 174.5 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | R2240 F2241 T2242 | R2240-V2292 HydrophobicContact CB-CG2 3.57Å; F2241-V2292 PolarHBondContact O-N 3.28Å; T2242-V2292 HydrophobicContact CG2-CG2 4.03Å |
| 2293 | S | 81.5 | Confident | 79.9 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -129 | 154.7 | 177.5 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | Y2291 D2295 A2296 | Y2291-S2293 WeakPolarHBondContact CB-O 3.32Å; S2293-D2295 PolarHBondContact O-N 3.01Å; S2293-A2296 PolarHBondContact O-N 3.14Å; S2293-A2296 VanDerWaalsContact O-N 3.16Å; S2293-A2296 WeakPolarHBondContact OG-CB 3.39Å; S2293-A2296 PolarHBondContact OG-N 3.28Å |
| 2294 | P | 75.9 | Confident | 78.2 | Confident | 98 Ų | 98 | 63.1 Ų | 63.1 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.1 | 176 | 25.1 | -33.7 | 0 | 0 | 0 | 113.5 | K2297 | P2294-K2297 WeakPolarHBondContact O-CD 3.33Å; P2294-K2297 VanDerWaalsContact O-CE 3.32Å; P2294-K2297 WeakPolarHBondContact O-CE 3.36Å; P2294-K2297 WeakPolarHBondContact O-CG 3.41Å |
| 2295 | D | 75.3 | Confident | 76.9 | Confident | 140 Ų | 140 | 61.5 Ų | 61.5 | 75% | 0.749 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -22.3 | 177.2 | -53.4 | -37 | 0 | 0 | 0 | 112.6 | S2293 K2297 | S2293-D2295 PolarHBondContact O-N 3.01Å; D2295-K2297 VanDerWaalsContact C-N 3.28Å; D2295-K2297 PolarHBondContact O-N 3.06Å; D2295-K2297 VanDerWaalsContact O-N 3.1Å |
| 2296 | A | 75.4 | Confident | 75.6 | Confident | 0.4 Ų | 0.4 | 71.5 Ų | 71.5 | 0% | 0.003 | 37% | 0.369 | C | S | . | . | trans | -85 | 69.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L2243 I2246 Y2291 S2293 | L2243-A2296 HydrophobicContact CB-CB 4.04Å; I2246-A2296 HydrophobicContact CD1-CB 3.91Å; I2246-A2296 WeakPolarHBondContact CD1-O 3.44Å; Y2291-A2296 VanDerWaalsContact CB-O 3.3Å; Y2291-A2296 WeakPolarHBondContact CB-O 3.42Å; Y2291-A2296 WeakPolarHBondContact CD1-O 3.34Å; Y2291-A2296 WeakPolarHBondContact CE1-O 3.33Å; S2293-A2296 PolarHBondContact O-N 3.14Å; S2293-A2296 VanDerWaalsContact O-N 3.16Å; S2293-A2296 WeakPolarHBondContact OG-CB 3.39Å; S2293-A2296 PolarHBondContact OG-N 3.28Å | ||
| 2297 | K | 78.7 | Confident | 74.4 | Confident | 122.8 Ų | 122.8 | 78 Ų | 78 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | trans | -114.2 | 148.3 | 172.2 | -72.4 | 178.6 | -177.2 | -178.1 | 0 | 110.7 | Y2291 P2294 D2295 T2299 | Y2291-K2297 HydrophobicContact CD2-CG 4.07Å; Y2291-K2297 HydrophobicContact CE2-CG 4.02Å; Y2291-K2297 HydrophobicContact CG-CG 4.38Å; P2294-K2297 WeakPolarHBondContact O-CD 3.33Å; P2294-K2297 VanDerWaalsContact O-CE 3.32Å; P2294-K2297 WeakPolarHBondContact O-CE 3.36Å; P2294-K2297 WeakPolarHBondContact O-CG 3.41Å; D2295-K2297 VanDerWaalsContact C-N 3.28Å; D2295-K2297 PolarHBondContact O-N 3.06Å; D2295-K2297 VanDerWaalsContact O-N 3.1Å; K2297-T2299 PolarHBondContact O-N 3.13Å | ||
| 2298 | F | 81 | Confident | 73.3 | Confident | 8.8 Ų | 8.8 | 76.3 Ų | 76.3 | 4% | 0.039 | 40% | 0.395 | C | S | . | . | trans | -58.2 | 136.2 | 170.8 | -70.8 | -73 | 0 | 0 | 0 | 109.9 | I2246 L2249 Q2250 P2289 Y2291 T2300 T2318 I2320 V2332 | I2246-F2298 HydrophobicContact CB-CD1 4.26Å; I2246-F2298 HydrophobicContact CB-CE1 4.03Å; I2246-F2298 HydrophobicContact CG1-CD1 4.15Å; I2246-F2298 HydrophobicContact CG1-CE1 3.79Å; I2246-F2298 HydrophobicContact CG1-CE2 4.22Å; I2246-F2298 HydrophobicContact CG1-CG 4.48Å; I2246-F2298 HydrophobicContact CG1-CZ 3.83Å; I2246-F2298 HydrophobicContact CG2-CD1 3.61Å; I2246-F2298 HydrophobicContact CG2-CE1 3.89Å; I2246-F2298 HydrophobicContact CG2-CG 4.24Å; L2249-F2298 HydrophobicContact CB-CE1 4.06Å; L2249-F2298 HydrophobicContact CD1-CE1 4.26Å; L2249-F2298 HydrophobicContact CD1-CZ 4Å; Q2250-F2298 HydrophobicContact CB-CD1 4.26Å; P2289-F2298 HydrophobicContact CB-CD2 4.25Å; P2289-F2298 HydrophobicContact CB-CE2 3.79Å; P2289-F2298 HydrophobicContact CG-CD2 4.22Å; P2289-F2298 HydrophobicContact CG-CE2 4.22Å; Y2291-F2298 AromaticContact CE1-CD2 3.68Å; Y2291-F2298 HydrophobicContact CE1-CD2 3.68Å; Y2291-F2298 AromaticContact CE1-CE2 3.86Å; Y2291-F2298 HydrophobicContact CE1-CE2 3.86Å; Y2291-F2298 AromaticContact CZ-CD2 3.97Å; Y2291-F2298 WeakPolarHBondContact OH-CD2 3.32Å; F2298-T2300 PolarHBondContact O-N 3.08Å; F2298-T2318 HydrophobicContact CB-CG2 4.17Å; F2298-T2318 HydrophobicContact CD2-CG2 3.85Å; F2298-T2318 HydrophobicContact CG-CG2 4.22Å; F2298-I2320 HydrophobicContact CE2-CD1 3.86Å; F2298-I2320 HydrophobicContact CZ-CD1 3.87Å; F2298-V2332 HydrophobicContact CB-CG1 4.38Å; F2298-V2332 HydrophobicContact CD1-CB 4.44Å; F2298-V2332 HydrophobicContact CD1-CG1 3.79Å; F2298-V2332 HydrophobicContact CD1-CG2 3.88Å; F2298-V2332 HydrophobicContact CD2-CG1 4.16Å; F2298-V2332 HydrophobicContact CE1-CB 4.39Å; F2298-V2332 HydrophobicContact CE1-CG1 4.11Å; F2298-V2332 HydrophobicContact CE1-CG2 3.39Å; F2298-V2332 VanDerWaalsContact CE1-CG2 3.41Å; F2298-V2332 HydrophobicContact CE2-CG1 4.45Å; F2298-V2332 HydrophobicContact CE2-CG2 4.43Å; F2298-V2332 HydrophobicContact CG-CG1 3.84Å; F2298-V2332 HydrophobicContact CZ-CG1 4.45Å; F2298-V2332 HydrophobicContact CZ-CG2 3.75Å | ||
| 2299 | T | 73.1 | Confident | 72.5 | Confident | 65.2 Ų | 65.2 | 75 Ų | 75 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | trans | -74.6 | 124.5 | -178.1 | 43 | 0 | 0 | 0 | 0 | 109.8 | Q2250 K2297 E2301 | Q2250-T2299 PolarHBondContact NE2-O 3.22Å; Q2250-T2299 PolarHBondContact NE2-OG1 3.2Å; Q2250-T2299 VanDerWaalsContact NE2-OG1 3.16Å; Q2250-T2299 PolarHBondContact OE1-O 3.27Å; Q2250-T2299 PolarHBondContact OE1-OG1 3.12Å; Q2250-T2299 VanDerWaalsContact OE1-OG1 3.08Å; K2297-T2299 PolarHBondContact O-N 3.13Å; T2299-E2301 HydrophobicContact CG2-CG 4.34Å | ||
| 2300 | T | 66.3 | Low | 71.7 | Confident | 26.2 Ų | 26.2 | 78.8 Ų | 78.8 | 16% | 0.161 | 41% | 0.406 | C | S | . | . | trans | -96.4 | 4.7 | 173.4 | 55.1 | 0 | 0 | 0 | 0 | 112 | F2298 L2302 I2303 K2304 I2316 | F2298-T2300 PolarHBondContact O-N 3.08Å; T2300-L2302 VanDerWaalsContact C-N 3.32Å; T2300-L2302 PolarHBondContact O-N 3.18Å; T2300-I2303 WeakPolarHBondContact O-CA 3.33Å; T2300-I2303 VanDerWaalsContact O-CB 3.25Å; T2300-I2303 WeakPolarHBondContact O-CB 3.31Å; T2300-I2303 PolarHBondContact O-N 3.04Å; T2300-K2304 WeakPolarHBondContact O-CG 3.41Å; T2300-K2304 PolarHBondContact O-N 2.99Å; T2300-K2304 VanDerWaalsContact O-N 3.14Å; T2300-K2304 WeakPolarHBondContact OG1-CE 3.27Å; T2300-I2316 HydrophobicContact CG2-CB 4.38Å; T2300-I2316 HydrophobicContact CG2-CD1 4.31Å; T2300-I2316 HydrophobicContact CG2-CG2 3.7Å | ||
| 2301 | E | 61.5 | Low | 70.9 | Confident | 139.4 Ų | 139.4 | 79.5 Ų | 79.5 | 65% | 0.651 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -36.2 | -173.5 | -65.9 | -175.6 | 174.9 | 0 | 0 | 114.3 | T2299 I2303 K2304 | T2299-E2301 HydrophobicContact CG2-CG 4.34Å; E2301-I2303 PolarHBondContact O-N 3.09Å; E2301-K2304 HydrophobicContact CG-CD 4.47Å; E2301-K2304 CarbonylContact O-C 3.56Å; E2301-K2304 WeakPolarHBondContact O-CA 3.39Å; E2301-K2304 WeakPolarHBondContact O-CB 3.43Å; E2301-K2304 PolarHBondContact O-N 2.93Å |
| 2302 | L | 58 | Low | 70.1 | Confident | 92.4 Ų | 92.4 | 77 Ų | 77 | 48% | 0.484 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.5 | 176.7 | -73.5 | 168 | 0 | 0 | 0 | 113.1 | P2256 T2300 W2403 | P2256-L2302 HydrophobicContact CG-CD1 4.32Å; T2300-L2302 VanDerWaalsContact C-N 3.32Å; T2300-L2302 PolarHBondContact O-N 3.18Å; L2302-W2403 HydrophobicContact CB-CZ2 4.27Å; L2302-W2403 HydrophobicContact CD1-CZ2 3.7Å |
| 2303 | I | 57.9 | Low | 69.3 | Low | 6.8 Ų | 6.8 | 76.2 Ų | 76.2 | 4% | 0.035 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -30.6 | 172.4 | -53.6 | 169.4 | 0 | 0 | 0 | 109.4 | T2300 E2301 S2305 I2316 C2334 A2336 P2344 V2401 | T2300-I2303 WeakPolarHBondContact O-CA 3.33Å; T2300-I2303 VanDerWaalsContact O-CB 3.25Å; T2300-I2303 WeakPolarHBondContact O-CB 3.31Å; T2300-I2303 PolarHBondContact O-N 3.04Å; E2301-I2303 PolarHBondContact O-N 3.09Å; I2303-S2305 PolarHBondContact O-N 3.12Å; I2303-S2305 VanDerWaalsContact O-N 3.1Å; I2303-I2316 HydrophobicContact CB-CD1 4.19Å; I2303-I2316 HydrophobicContact CD1-CD1 4.42Å; I2303-I2316 HydrophobicContact CD1-CG2 4.07Å; I2303-I2316 HydrophobicContact CG2-CD1 3.87Å; I2303-I2316 HydrophobicContact CG2-CG1 4.48Å; I2303-C2334 HydrophobicContact CD1-CB 3.49Å; I2303-C2334 VanDerWaalsContact CD1-CB 3.43Å; I2303-A2336 HydrophobicContact CG2-CB 3.9Å; I2303-P2344 HydrophobicContact CG2-CB 4.47Å; I2303-P2344 HydrophobicContact CG2-CG 3.85Å; I2303-P2344 WeakPolarHBondContact O-CD 3.29Å; I2303-P2344 WeakPolarHBondContact O-CG 3.29Å; I2303-V2401 HydrophobicContact CD1-CB 4.35Å; I2303-V2401 HydrophobicContact CD1-CG2 4.09Å; I2303-V2401 HydrophobicContact CG1-CB 4.39Å; I2303-V2401 HydrophobicContact CG1-CG2 3.86Å |
| 2304 | K | 56.3 | Low | 68.8 | Low | 74.6 Ų | 74.6 | 82.2 Ų | 82.2 | 32% | 0.324 | 42% | 0.415 | S | S | . | . | trans | -73.5 | 94.5 | 179.8 | -58.5 | -180 | -173.9 | -155.6 | 0 | 110.8 | T2300 E2301 E2313 | T2300-K2304 WeakPolarHBondContact O-CG 3.41Å; T2300-K2304 PolarHBondContact O-N 2.99Å; T2300-K2304 VanDerWaalsContact O-N 3.14Å; T2300-K2304 WeakPolarHBondContact OG1-CE 3.27Å; E2301-K2304 HydrophobicContact CG-CD 4.47Å; E2301-K2304 CarbonylContact O-C 3.56Å; E2301-K2304 WeakPolarHBondContact O-CA 3.39Å; E2301-K2304 WeakPolarHBondContact O-CB 3.43Å; E2301-K2304 PolarHBondContact O-N 2.93Å; K2304-E2313 HydrophobicContact CD-CG 4.36Å; K2304-E2313 VanDerWaalsContact CD-OE1 3.32Å; K2304-E2313 WeakPolarHBondContact CD-OE1 3.39Å; K2304-E2313 WeakPolarHBondContact CE-OE1 3.31Å; K2304-E2313 WeakPolarHBondContact CE-OE2 3.37Å; K2304-E2313 HydrophobicContact CG-CG 4.37Å; K2304-E2313 VanDerWaalsContact NZ-CD 3.31Å; K2304-E2313 IonicContact NZ-OE1 3.18Å; K2304-E2313 PolarHBondContact NZ-OE1 3.41Å; K2304-E2313 IonicContact NZ-OE2 3.16Å; K2304-E2313 PolarHBondContact NZ-OE2 3.18Å | ||
| 2305 | S | 62.8 | Low | 68.9 | Low | 40.8 Ų | 40.8 | 78.8 Ų | 78.8 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | trans | -66 | 154.5 | 161.5 | 83.1 | 0 | 0 | 0 | 0 | 110.6 | I2303 N2307 T2308 | I2303-S2305 PolarHBondContact O-N 3.12Å; I2303-S2305 VanDerWaalsContact O-N 3.1Å; S2305-N2307 PolarHBondContact O-N 2.91Å; S2305-N2307 PolarHBondContact OG-N 3.09Å; S2305-T2308 WeakPolarHBondContact CA-OG1 3.4Å; S2305-T2308 PolarHBondContact N-OG1 3.01Å; S2305-T2308 VanDerWaalsContact O-CB 3.32Å; S2305-T2308 WeakPolarHBondContact O-CB 3.4Å; S2305-T2308 PolarHBondContact O-N 3.09Å; S2305-T2308 PolarHBondContact O-OG1 3.04Å; S2305-T2308 PolarHBondContact OG-N 3.05Å; S2305-T2308 PolarHBondContact OG-OG1 2.99Å | ||
| 2306 | R | 62.6 | Low | 69.3 | Low | 256.8 Ų | 256.8 | 73.2 Ų | 73.2 | 97% | 0.969 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -18.3 | 175.2 | -123.4 | -179.2 | -175.3 | -176.9 | 1.4 | 114.1 | ||
| 2307 | N | 67.2 | Low | 69.9 | Low | 138.4 Ų | 138.4 | 75.7 Ų | 75.7 | 74% | 0.74 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 13.8 | -178.4 | -62.6 | -13.8 | 0 | 0 | 0 | 112.7 | S2305 | S2305-N2307 PolarHBondContact O-N 2.91Å; S2305-N2307 PolarHBondContact OG-N 3.09Å |
| 2308 | T | 67.4 | Low | 70.5 | Confident | 18.2 Ų | 18.2 | 70.9 Ų | 70.9 | 11% | 0.112 | 36% | 0.355 | C | S | . | . | trans | -74.6 | 126.4 | -178.4 | -47.8 | 0 | 0 | 0 | 0 | 109.8 | S2305 A2312 E2313 P2344 | S2305-T2308 WeakPolarHBondContact CA-OG1 3.4Å; S2305-T2308 PolarHBondContact N-OG1 3.01Å; S2305-T2308 VanDerWaalsContact O-CB 3.32Å; S2305-T2308 WeakPolarHBondContact O-CB 3.4Å; S2305-T2308 PolarHBondContact O-N 3.09Å; S2305-T2308 PolarHBondContact O-OG1 3.04Å; S2305-T2308 PolarHBondContact OG-N 3.05Å; S2305-T2308 PolarHBondContact OG-OG1 2.99Å; T2308-A2312 HydrophobicContact CG2-CB 3.98Å; T2308-E2313 HydrophobicContact CG2-CG 4.44Å; T2308-P2344 HydrophobicContact CG2-CB 3.68Å; T2308-P2344 HydrophobicContact CG2-CG 3.74Å | ||
| 2309 | P | 71.7 | Confident | 71.1 | Confident | 43.4 Ų | 43.4 | 70.6 Ų | 70.6 | 28% | 0.282 | 35% | 0.354 | S | S | . | . | trans | -67 | 140.9 | 174.5 | 23.6 | -27 | 0 | 0 | 0 | 110.2 | E2311 A2312 P2344 A2346 | P2309-E2311 PolarHBondContact O-N 3.16Å; P2309-E2311 VanDerWaalsContact O-N 3.16Å; P2309-A2312 HydrophobicContact CG-CB 3.97Å; P2309-A2312 WeakPolarHBondContact O-CB 3.29Å; P2309-A2312 PolarHBondContact O-N 3.07Å; P2309-P2344 WeakPolarHBondContact CD-O 3.34Å; P2309-A2346 HydrophobicContact CG-CB 4.44Å | ||
| 2310 | P | 71.6 | Confident | 72 | Confident | 97.6 Ų | 97.6 | 67.6 Ų | 67.6 | 63% | 0.634 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.4 | -28.5 | -175.8 | 22 | -32.3 | 0 | 0 | 0 | 113.3 | A2312 E2313 | P2310-A2312 VanDerWaalsContact C-N 3.32Å; P2310-A2312 PolarHBondContact O-N 3.18Å; P2310-E2313 WeakPolarHBondContact O-CB 3.38Å; P2310-E2313 PolarHBondContact O-N 3.09Å |
| 2311 | E | 72.4 | Confident | 73.2 | Confident | 110.4 Ų | 110.4 | 66.9 Ų | 66.9 | 52% | 0.516 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 173.8 | -65.3 | 163.4 | -169.4 | 0 | 0 | 111.8 | P2309 E2313 Q2314 A2346 V2348 H2349 | P2309-E2311 PolarHBondContact O-N 3.16Å; P2309-E2311 VanDerWaalsContact O-N 3.16Å; E2311-E2313 PolarHBondContact O-N 3.07Å; E2311-Q2314 PolarHBondContact O-N 3.22Å; E2311-Q2314 VanDerWaalsContact O-N 3.14Å; E2311-A2346 HydrophobicContact CB-CB 3.6Å; E2311-V2348 HydrophobicContact CB-CG2 4.01Å; E2311-V2348 HydrophobicContact CG-CG2 4.38Å; E2311-V2348 VanDerWaalsContact OE2-CG2 3.29Å; E2311-V2348 WeakPolarHBondContact OE2-CG2 3.3Å; E2311-H2349 IonicContact OE2-CE1 3.58Å; E2311-H2349 PolarHBondContact OE2-CE1 3.19Å; E2311-H2349 IonicContact OE2-ND1 3.84Å; E2311-H2349 IonicContact OE2-NE2 3.29Å |
| 2312 | A | 70.1 | Confident | 74.4 | Confident | 3.4 Ų | 3.4 | 64.6 Ų | 64.6 | 3% | 0.028 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.7 | -20.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | T2308 P2309 P2310 Q2314 D2315 P2344 A2346 | T2308-A2312 HydrophobicContact CG2-CB 3.98Å; P2309-A2312 HydrophobicContact CG-CB 3.97Å; P2309-A2312 WeakPolarHBondContact O-CB 3.29Å; P2309-A2312 PolarHBondContact O-N 3.07Å; P2310-A2312 VanDerWaalsContact C-N 3.32Å; P2310-A2312 PolarHBondContact O-N 3.18Å; A2312-Q2314 VanDerWaalsContact C-N 3.32Å; A2312-D2315 PolarHBondContact O-N 3.1Å; A2312-P2344 HydrophobicContact CB-CB 4.32Å; A2312-A2346 HydrophobicContact CB-CB 4.05Å |
| 2313 | E | 67.8 | Low | 75.4 | Confident | 73.4 Ų | 73.4 | 60.4 Ų | 60.4 | 34% | 0.343 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -72.2 | -30.4 | 177 | -57.9 | -167 | 172.9 | 0 | 0 | 112.2 | K2304 T2308 P2310 E2311 D2315 I2316 | K2304-E2313 HydrophobicContact CD-CG 4.36Å; K2304-E2313 VanDerWaalsContact CD-OE1 3.32Å; K2304-E2313 WeakPolarHBondContact CD-OE1 3.39Å; K2304-E2313 WeakPolarHBondContact CE-OE1 3.31Å; K2304-E2313 WeakPolarHBondContact CE-OE2 3.37Å; K2304-E2313 HydrophobicContact CG-CG 4.37Å; K2304-E2313 VanDerWaalsContact NZ-CD 3.31Å; K2304-E2313 IonicContact NZ-OE1 3.18Å; K2304-E2313 PolarHBondContact NZ-OE1 3.41Å; K2304-E2313 IonicContact NZ-OE2 3.16Å; K2304-E2313 PolarHBondContact NZ-OE2 3.18Å; T2308-E2313 HydrophobicContact CG2-CG 4.44Å; P2310-E2313 WeakPolarHBondContact O-CB 3.38Å; P2310-E2313 PolarHBondContact O-N 3.09Å; E2311-E2313 PolarHBondContact O-N 3.07Å; E2313-D2315 VanDerWaalsContact C-N 3.28Å; E2313-D2315 PolarHBondContact O-N 3.27Å; E2313-I2316 PolarHBondContact O-N 3.34Å |
| 2314 | Q | 71.2 | Confident | 76.2 | Confident | 169 Ų | 169 | 62.7 Ų | 62.7 | 79% | 0.79 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -74.3 | -21.9 | 178.2 | -62 | -177.6 | -1.1 | 0 | 0 | 111.9 | E2311 A2312 I2316 | E2311-Q2314 PolarHBondContact O-N 3.22Å; E2311-Q2314 VanDerWaalsContact O-N 3.14Å; A2312-Q2314 VanDerWaalsContact C-N 3.32Å; Q2314-I2316 VanDerWaalsContact C-N 3.34Å; Q2314-I2316 PolarHBondContact O-N 3.08Å |
| 2315 | D | 78.4 | Confident | 76.9 | Confident | 27.8 Ų | 27.8 | 68.4 Ų | 68.4 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.1 | -179.5 | -65 | -33 | 0 | 0 | 0 | 113.7 | A2312 E2313 I2317 A2346 I2347 W2689 | A2312-D2315 PolarHBondContact O-N 3.1Å; E2313-D2315 VanDerWaalsContact C-N 3.28Å; E2313-D2315 PolarHBondContact O-N 3.27Å; D2315-I2317 PolarHBondContact O-N 2.95Å; D2315-A2346 WeakPolarHBondContact OD2-CA 3.33Å; D2315-I2347 HydrophobicContact CB-CD1 3.72Å; D2315-I2347 HydrophobicContact CB-CG1 3.94Å; D2315-I2347 WeakPolarHBondContact OD2-CB 3.4Å; D2315-I2347 WeakPolarHBondContact OD2-CG1 3.34Å; D2315-I2347 PolarHBondContact OD2-N 3.17Å; D2315-W2689 WeakPolarHBondContact OD1-CZ2 3.39Å |
| 2316 | I | 84.3 | Confident | 77.3 | Confident | 21.6 Ų | 21.6 | 74.4 Ų | 74.4 | 11% | 0.111 | 38% | 0.375 | C | S | . | . | trans | -77.5 | 118.8 | 179.4 | -57.8 | 175.5 | 0 | 0 | 0 | 109.6 | T2300 I2303 E2313 Q2314 C2334 Q2335 A2336 | T2300-I2316 HydrophobicContact CG2-CB 4.38Å; T2300-I2316 HydrophobicContact CG2-CD1 4.31Å; T2300-I2316 HydrophobicContact CG2-CG2 3.7Å; I2303-I2316 HydrophobicContact CB-CD1 4.19Å; I2303-I2316 HydrophobicContact CD1-CD1 4.42Å; I2303-I2316 HydrophobicContact CD1-CG2 4.07Å; I2303-I2316 HydrophobicContact CG2-CD1 3.87Å; I2303-I2316 HydrophobicContact CG2-CG1 4.48Å; E2313-I2316 PolarHBondContact O-N 3.34Å; Q2314-I2316 VanDerWaalsContact C-N 3.34Å; Q2314-I2316 PolarHBondContact O-N 3.08Å; I2316-C2334 HydrophobicContact CG2-CB 4.33Å; I2316-Q2335 WeakPolarHBondContact CA-O 3.35Å; I2316-A2336 HydrophobicContact CG1-CB 4.24Å | ||
| 2317 | I | 88.5 | Confident | 77.9 | Confident | 53.4 Ų | 53.4 | 67.8 Ų | 67.8 | 27% | 0.274 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.5 | 178.9 | -50.4 | 174.3 | 0 | 0 | 0 | 109.2 | S2279 D2315 Y2319 C2334 Q2335 | S2279-I2317 VanDerWaalsContact OG-CD1 3.26Å; S2279-I2317 WeakPolarHBondContact OG-CD1 3.39Å; D2315-I2317 PolarHBondContact O-N 2.95Å; I2317-Y2319 HydrophobicContact CB-CE2 3.94Å; I2317-Y2319 HydrophobicContact CG2-CD2 4.34Å; I2317-Y2319 HydrophobicContact CG2-CE1 3.94Å; I2317-Y2319 HydrophobicContact CG2-CE2 3.6Å; I2317-Y2319 WeakPolarHBondContact CG2-OH 3.37Å; I2317-C2334 CarbonylContact O-C 3.53Å; I2317-C2334 WeakPolarHBondContact O-CA 3.33Å; I2317-Q2335 HydrophobicContact CB-CB 4.47Å; I2317-Q2335 PolarHBondContact N-O 3.1Å; I2317-Q2335 VanDerWaalsContact N-O 3.1Å; I2317-Q2335 PolarHBondContact O-N 3.37Å |
| 2318 | T | 90.9 | Very high | 78.6 | Confident | 20.4 Ų | 20.4 | 66.7 Ų | 66.7 | 13% | 0.125 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 138.9 | 178.1 | -51.5 | 0 | 0 | 0 | 0 | 110.5 | P2289 F2298 V2332 V2333 C2334 | P2289-T2318 WeakPolarHBondContact CD-O 3.38Å; P2289-T2318 HydrophobicContact CG-CG2 4.04Å; F2298-T2318 HydrophobicContact CB-CG2 4.17Å; F2298-T2318 HydrophobicContact CD2-CG2 3.85Å; F2298-T2318 HydrophobicContact CG-CG2 4.22Å; T2318-V2332 HydrophobicContact CG2-CG1 3.66Å; T2318-V2333 CarbonylContact C-O 3.49Å; T2318-V2333 WeakPolarHBondContact CA-O 3.38Å; T2318-C2334 PolarHBondContact OG1-SG 2.76Å |
| 2319 | Y | 93 | Very high | 79.6 | Confident | 4.4 Ų | 4.4 | 65.8 Ų | 65.8 | 2% | 0.017 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 159 | 177.8 | -54.6 | -87.2 | 0 | 0 | 0 | 111.1 | S2279 L2282 M2286 D2287 I2317 V2332 V2333 Q2335 | S2279-Y2319 WeakPolarHBondContact CA-OH 3.26Å; S2279-Y2319 WeakPolarHBondContact CB-OH 3.41Å; S2279-Y2319 PolarHBondContact OG-OH 3.3Å; S2279-Y2319 VanDerWaalsContact OG-OH 3.13Å; L2282-Y2319 HydrophobicContact CB-CE1 4.32Å; L2282-Y2319 HydrophobicContact CD1-CE2 3.91Å; M2286-Y2319 HydrophobicContact CB-CD1 4.3Å; M2286-Y2319 HydrophobicContact CB-CG 4.3Å; M2286-Y2319 HydrophobicContact CE-CD2 4.32Å; M2286-Y2319 HydrophobicContact CE-CG 4.33Å; M2286-Y2319 HydrophobicContact SD-CD2 4.47Å; M2286-Y2319 HydrophobicContact SD-CG 4.35Å; D2287-Y2319 CarbonylContact O-C 3.57Å; D2287-Y2319 WeakPolarHBondContact O-CA 3.34Å; I2317-Y2319 HydrophobicContact CB-CE2 3.94Å; I2317-Y2319 HydrophobicContact CG2-CD2 4.34Å; I2317-Y2319 HydrophobicContact CG2-CE1 3.94Å; I2317-Y2319 HydrophobicContact CG2-CE2 3.6Å; I2317-Y2319 WeakPolarHBondContact CG2-OH 3.37Å; Y2319-V2332 WeakPolarHBondContact O-CA 3.34Å; Y2319-V2333 PolarHBondContact N-O 3.14Å; Y2319-V2333 PolarHBondContact O-N 3.15Å; Y2319-Q2335 HydrophobicContact CE2-CB 3.98Å; Y2319-Q2335 PolarHBondContact OH-OE1 3.07Å; Y2319-Q2335 VanDerWaalsContact OH-OE1 3.1Å |
| 2320 | I | 92.2 | Very high | 80.5 | Confident | 0.4 Ų | 0.4 | 63.9 Ų | 63.9 | 0% | 0.002 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 118.1 | 170.8 | -61 | -63.5 | 0 | 0 | 0 | 108 | F2233 F2241 M2286 D2287 P2289 F2298 L2330 S2331 V2332 | F2233-I2320 HydrophobicContact CE2-CG2 4.4Å; F2233-I2320 HydrophobicContact CZ-CG2 4.44Å; F2241-I2320 HydrophobicContact CE2-CD1 4.29Å; F2241-I2320 HydrophobicContact CE2-CG1 3.96Å; F2241-I2320 HydrophobicContact CZ-CD1 4.25Å; F2241-I2320 HydrophobicContact CZ-CG1 4.15Å; M2286-I2320 CarbonylContact C-O 3.57Å; M2286-I2320 WeakPolarHBondContact CA-O 3.38Å; D2287-I2320 PolarHBondContact N-O 3.13Å; D2287-I2320 PolarHBondContact O-N 3.06Å; P2289-I2320 HydrophobicContact CB-CD1 4.37Å; P2289-I2320 HydrophobicContact CB-CG1 3.89Å; P2289-I2320 HydrophobicContact CG-CG1 4.47Å; F2298-I2320 HydrophobicContact CE2-CD1 3.86Å; F2298-I2320 HydrophobicContact CZ-CD1 3.87Å; I2320-L2330 HydrophobicContact CG2-CD1 3.42Å; I2320-L2330 VanDerWaalsContact CG2-CD1 3.47Å; I2320-L2330 HydrophobicContact CG2-CD2 4.4Å; I2320-L2330 HydrophobicContact CG2-CG 4.03Å; I2320-S2331 CarbonylContact C-O 3.58Å; I2320-S2331 WeakPolarHBondContact CA-O 3.35Å; I2320-V2332 HydrophobicContact CD1-CB 4.49Å; I2320-V2332 HydrophobicContact CD1-CG2 3.9Å |
| 2321 | Y | 92 | Very high | 81.4 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 131.3 | 175.7 | 174.5 | -118.1 | 0 | 0 | 0 | 110.7 | F2285 M2286 P2323 S2331 V2408 L2413 L2416 | F2285-Y2321 HydrophobicContact CD2-CD2 4.04Å; F2285-Y2321 HydrophobicContact CD2-CE2 4.07Å; M2286-Y2321 HydrophobicContact CG-CD2 3.99Å; M2286-Y2321 HydrophobicContact CG-CG 4.36Å; Y2321-P2323 HydrophobicContact CE1-CB 4.45Å; Y2321-S2331 PolarHBondContact N-O 3.26Å; Y2321-S2331 PolarHBondContact O-N 3.14Å; Y2321-V2408 HydrophobicContact CD1-CG1 3.87Å; Y2321-V2408 HydrophobicContact CE1-CG1 3.71Å; Y2321-L2413 HydrophobicContact CD1-CD1 3.8Å; Y2321-L2413 HydrophobicContact CD1-CD2 3.98Å; Y2321-L2413 HydrophobicContact CD1-CG 4.33Å; Y2321-L2413 HydrophobicContact CD2-CD1 4.1Å; Y2321-L2413 HydrophobicContact CE1-CB 4.07Å; Y2321-L2413 HydrophobicContact CE1-CD1 3.91Å; Y2321-L2413 HydrophobicContact CE1-CD2 4.31Å; Y2321-L2413 HydrophobicContact CE1-CG 4.31Å; Y2321-L2413 HydrophobicContact CE2-CD1 4.23Å; Y2321-L2413 HydrophobicContact CG-CD1 3.87Å; Y2321-L2416 HydrophobicContact CE2-CD1 4.14Å |
| 2322 | R | 86.9 | Confident | 82.4 | Confident | 90.8 Ų | 90.8 | 54 Ų | 54 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | trans | -117.8 | 116.4 | 172.5 | -105.7 | -175.3 | -40.4 | 120.9 | 6.6 | 108.6 | L2230 D2287 L2330 | L2230-R2322 HydrophobicContact CD2-CG 4.24Å; D2287-R2322 IonicContact OD2-NE 3.34Å; D2287-R2322 IonicContact OD2-NH2 3.44Å; D2287-R2322 PolarHBondContact OD2-NH2 3.46Å; R2322-L2330 HydrophobicContact CB-CD1 4.34Å; R2322-L2330 HydrophobicContact CG-CD1 3.72Å; R2322-L2330 VanDerWaalsContact CG-CD1 3.45Å | ||
| 2323 | P | 79.1 | Confident | 83.5 | Confident | 5.4 Ų | 5.4 | 53.8 Ų | 53.8 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | trans | -60 | 149.4 | 162.7 | 30.8 | -33.1 | 0 | 0 | 0 | 108.3 | Y2321 R2327 G2329 M2407 V2408 | Y2321-P2323 HydrophobicContact CE1-CB 4.45Å; P2323-R2327 HydrophobicContact CB-CB 3.83Å; P2323-R2327 HydrophobicContact CB-CG 4.49Å; P2323-R2327 HydrophobicContact CG-CB 3.87Å; P2323-G2329 VanDerWaalsContact CD-O 3.29Å; P2323-G2329 WeakPolarHBondContact CD-O 3.35Å; P2323-M2407 WeakPolarHBondContact CG-O 3.36Å; P2323-V2408 HydrophobicContact CG-CG2 4.18Å | ||
| 2324 | G | 74.9 | Confident | 84.6 | Confident | 54.2 Ų | 54.2 | 50.3 Ų | 50.3 | 56% | 0.559 | 25% | 0.248 | S | C | * | . | trans | -50.4 | 170.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D2326 R2327 | G2324-D2326 PolarHBondContact O-N 3.17Å; G2324-R2327 PolarHBondContact O-N 3.25Å | ||
| 2325 | E | 69.8 | Low | 85.6 | Confident | 195.6 Ų | 195.6 | 42.3 Ų | 42.3 | 91% | 0.914 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -31 | -165.1 | -63.1 | -173 | 161.4 | 0 | 0 | 115.7 | R2327 | E2325-R2327 VanDerWaalsContact C-N 3.31Å; E2325-R2327 PolarHBondContact O-N 3.19Å |
| 2326 | D | 70.7 | Confident | 86.2 | Confident | 166.8 Ų | 166.8 | 41.1 Ų | 41.1 | 89% | 0.892 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.4 | -179.9 | -63.3 | -29.2 | 0 | 0 | 0 | 114.3 | G2324 | G2324-D2326 PolarHBondContact O-N 3.17Š|
| 2327 | R | 76.5 | Confident | 86.4 | Confident | 118 Ų | 118 | 40.3 Ų | 40.3 | 45% | 0.445 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -108.3 | 116.6 | -173.9 | -65.4 | -176.2 | -177.1 | -172.4 | 2.3 | 110.8 | P2323 G2324 E2325 G2329 D2409 | P2323-R2327 HydrophobicContact CB-CB 3.83Å; P2323-R2327 HydrophobicContact CB-CG 4.49Å; P2323-R2327 HydrophobicContact CG-CB 3.87Å; G2324-R2327 PolarHBondContact O-N 3.25Å; E2325-R2327 VanDerWaalsContact C-N 3.31Å; E2325-R2327 PolarHBondContact O-N 3.19Å; R2327-G2329 VanDerWaalsContact C-N 3.35Å; R2327-G2329 PolarHBondContact O-N 3.06Å; R2327-D2409 IonicContact NH1-OD2 3.37Å; R2327-D2409 PolarHBondContact NH1-OD2 3.07Å; R2327-D2409 VanDerWaalsContact NH1-OD2 3.13Å |
| 2328 | K | 81.8 | Confident | 86.3 | Confident | 114.8 Ų | 114.8 | 37.8 Ų | 37.8 | 50% | 0.499 | 19% | 0.187 | S | C | . | . | trans | -76.9 | 82.5 | 174.2 | -68.1 | -177 | 168.6 | -157.2 | 0 | 111.5 | D2227 L2230 G2406 M2407 | D2227-K2328 VanDerWaalsContact OD1-CD 3.3Å; D2227-K2328 WeakPolarHBondContact OD1-CD 3.36Å; D2227-K2328 VanDerWaalsContact OD1-CE 3.26Å; D2227-K2328 WeakPolarHBondContact OD1-CE 3.28Å; D2227-K2328 IonicContact OD1-NZ 3.61Å; D2227-K2328 PolarHBondContact OD1-NZ 3.19Å; D2227-K2328 IonicContact OD2-NZ 3.34Å; D2227-K2328 PolarHBondContact OD2-NZ 3.15Å; L2230-K2328 HydrophobicContact CD1-CB 4.05Å; L2230-K2328 HydrophobicContact CD1-CG 4.35Å; K2328-G2406 WeakPolarHBondContact O-CA 3.41Å; K2328-M2407 PolarHBondContact O-N 3.26Å | ||
| 2329 | G | 87.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 151.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | L2230 P2323 R2327 R2405 | L2230-G2329 WeakPolarHBondContact CD2-O 3.34Å; P2323-G2329 VanDerWaalsContact CD-O 3.29Å; P2323-G2329 WeakPolarHBondContact CD-O 3.35Å; R2327-G2329 VanDerWaalsContact C-N 3.35Å; R2327-G2329 PolarHBondContact O-N 3.06Å; G2329-R2405 CarbonylContact C-O 3.56Å; G2329-R2405 VanDerWaalsContact CA-O 3.29Å; G2329-R2405 WeakPolarHBondContact CA-O 3.33Å |
| 2330 | L | 90.5 | Very high | 85 | Confident | 1.8 Ų | 1.8 | 41.2 Ų | 41.2 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 131.8 | 172.7 | -163.7 | 65.3 | 0 | 0 | 0 | 108.9 | L2226 L2230 L2249 I2320 R2322 R2405 | L2226-L2330 HydrophobicContact CD1-CB 3.9Å; L2230-L2330 HydrophobicContact CD2-CB 4.37Å; L2230-L2330 HydrophobicContact CD2-CD1 4.4Å; L2249-L2330 HydrophobicContact CD1-CD2 3.8Å; L2249-L2330 HydrophobicContact CD2-CB 4.23Å; L2249-L2330 HydrophobicContact CD2-CD2 3.67Å; L2249-L2330 HydrophobicContact CD2-CG 4.2Å; L2249-L2330 HydrophobicContact CG-CD2 4.39Å; I2320-L2330 HydrophobicContact CG2-CD1 3.42Å; I2320-L2330 VanDerWaalsContact CG2-CD1 3.47Å; I2320-L2330 HydrophobicContact CG2-CD2 4.4Å; I2320-L2330 HydrophobicContact CG2-CG 4.03Å; R2322-L2330 HydrophobicContact CB-CD1 4.34Å; R2322-L2330 HydrophobicContact CG-CD1 3.72Å; R2322-L2330 VanDerWaalsContact CG-CD1 3.45Å; L2330-R2405 PolarHBondContact N-O 3.23Å; L2330-R2405 PolarHBondContact O-N 3.1Å |
| 2331 | S | 91.3 | Very high | 84.1 | Confident | 0.2 Ų | 0.2 | 46.7 Ų | 46.7 | 0% | 0.001 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141 | 176.8 | -71.2 | 0 | 0 | 0 | 0 | 112.3 | I2320 Y2321 W2403 R2404 V2408 | I2320-S2331 CarbonylContact C-O 3.58Å; I2320-S2331 WeakPolarHBondContact CA-O 3.35Å; Y2321-S2331 PolarHBondContact N-O 3.26Å; Y2321-S2331 PolarHBondContact O-N 3.14Å; S2331-W2403 CarbonylContact C-O 3.5Å; S2331-W2403 WeakPolarHBondContact CA-O 3.33Å; S2331-W2403 WeakPolarHBondContact CB-O 3.46Å; S2331-R2404 WeakPolarHBondContact OG-CA 3.36Å; S2331-R2404 VanDerWaalsContact OG-CB 3.3Å; S2331-R2404 WeakPolarHBondContact OG-CB 3.34Å; S2331-V2408 WeakPolarHBondContact OG-CG1 3.31Å; S2331-V2408 WeakPolarHBondContact OG-CG2 3.31Å |
| 2332 | V | 92 | Very high | 83.4 | Confident | 0.4 Ų | 0.4 | 47 Ų | 47 | 0% | 0.002 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125 | 167.6 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | L2249 F2298 T2318 Y2319 I2320 V2402 W2403 | L2249-V2332 HydrophobicContact CB-CG2 3.86Å; L2249-V2332 HydrophobicContact CD1-CG2 4.35Å; F2298-V2332 HydrophobicContact CB-CG1 4.38Å; F2298-V2332 HydrophobicContact CD1-CB 4.44Å; F2298-V2332 HydrophobicContact CD1-CG1 3.79Å; F2298-V2332 HydrophobicContact CD1-CG2 3.88Å; F2298-V2332 HydrophobicContact CD2-CG1 4.16Å; F2298-V2332 HydrophobicContact CE1-CB 4.39Å; F2298-V2332 HydrophobicContact CE1-CG1 4.11Å; F2298-V2332 HydrophobicContact CE1-CG2 3.39Å; F2298-V2332 VanDerWaalsContact CE1-CG2 3.41Å; F2298-V2332 HydrophobicContact CE2-CG1 4.45Å; F2298-V2332 HydrophobicContact CE2-CG2 4.43Å; F2298-V2332 HydrophobicContact CG-CG1 3.84Å; F2298-V2332 HydrophobicContact CZ-CG1 4.45Å; F2298-V2332 HydrophobicContact CZ-CG2 3.75Å; T2318-V2332 HydrophobicContact CG2-CG1 3.66Å; Y2319-V2332 WeakPolarHBondContact O-CA 3.34Å; I2320-V2332 HydrophobicContact CD1-CB 4.49Å; I2320-V2332 HydrophobicContact CD1-CG2 3.9Å; V2332-V2402 VanDerWaalsContact O-CA 3.32Å; V2332-V2402 WeakPolarHBondContact O-CA 3.31Å; V2332-W2403 HydrophobicContact CB-CB 4.4Å; V2332-W2403 HydrophobicContact CB-CE3 4.47Å; V2332-W2403 HydrophobicContact CG1-CE3 4.48Å; V2332-W2403 PolarHBondContact N-O 3.06Å; V2332-W2403 PolarHBondContact O-N 3.22Å |
| 2333 | V | 93.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.7 | -177.2 | -178 | 0 | 0 | 0 | 0 | 108.7 | M2286 T2318 Y2319 F2400 V2401 V2402 L2413 | M2286-V2333 HydrophobicContact CE-CG1 4.28Å; M2286-V2333 HydrophobicContact CE-CG2 4.37Å; M2286-V2333 HydrophobicContact SD-CB 4.02Å; M2286-V2333 HydrophobicContact SD-CG1 4.2Å; M2286-V2333 HydrophobicContact SD-CG2 3.96Å; T2318-V2333 CarbonylContact C-O 3.49Å; T2318-V2333 WeakPolarHBondContact CA-O 3.38Å; Y2319-V2333 PolarHBondContact N-O 3.14Å; Y2319-V2333 PolarHBondContact O-N 3.15Å; V2333-F2400 HydrophobicContact CG1-CB 4.25Å; V2333-F2400 HydrophobicContact CG1-CD1 3.82Å; V2333-V2401 WeakPolarHBondContact CA-O 3.35Å; V2333-V2402 HydrophobicContact CG1-CG2 4.25Å; V2333-V2402 HydrophobicContact CG2-CG1 4.21Å; V2333-V2402 HydrophobicContact CG2-CG2 4.16Å; V2333-L2413 HydrophobicContact CG2-CD2 4.32Å |
| 2334 | C | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.5 | 175.5 | -66.7 | 0 | 0 | 0 | 0 | 110.3 | I2303 I2316 I2317 T2318 F2400 V2401 W2403 | I2303-C2334 HydrophobicContact CD1-CB 3.49Å; I2303-C2334 VanDerWaalsContact CD1-CB 3.43Å; I2316-C2334 HydrophobicContact CG2-CB 4.33Å; I2317-C2334 CarbonylContact O-C 3.53Å; I2317-C2334 WeakPolarHBondContact O-CA 3.33Å; T2318-C2334 PolarHBondContact OG1-SG 2.76Å; C2334-F2400 CarbonylContact O-C 3.55Å; C2334-F2400 VanDerWaalsContact O-CA 3.28Å; C2334-F2400 WeakPolarHBondContact O-CA 3.4Å; C2334-V2401 HydrophobicContact CB-CB 4.44Å; C2334-V2401 PolarHBondContact N-O 3.14Å; C2334-V2401 PolarHBondContact O-N 3.1Å; C2334-W2403 HydrophobicContact CB-CZ3 4.25Å |
| 2335 | Q | 92.1 | Very high | 83.5 | Confident | 0.6 Ų | 0.6 | 42.7 Ų | 42.7 | 0% | 0.003 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131 | 173.5 | 176.9 | -167.5 | -26.6 | 0 | 0 | 109.9 | S2275 L2282 I2316 I2317 Y2319 Q2399 F2400 | S2275-Q2335 PolarHBondContact OG-NE2 2.77Å; L2282-Q2335 VanDerWaalsContact CD1-OE1 3.25Å; I2316-Q2335 WeakPolarHBondContact CA-O 3.35Å; I2317-Q2335 HydrophobicContact CB-CB 4.47Å; I2317-Q2335 PolarHBondContact N-O 3.1Å; I2317-Q2335 VanDerWaalsContact N-O 3.1Å; I2317-Q2335 PolarHBondContact O-N 3.37Å; Y2319-Q2335 HydrophobicContact CE2-CB 3.98Å; Y2319-Q2335 PolarHBondContact OH-OE1 3.07Å; Y2319-Q2335 VanDerWaalsContact OH-OE1 3.1Å; Q2335-Q2399 CarbonylContact C-O 3.55Å; Q2335-Q2399 WeakPolarHBondContact CA-O 3.33Å; Q2335-F2400 HydrophobicContact CB-CD1 4.15Å; Q2335-F2400 HydrophobicContact CB-CE1 3.88Å; Q2335-F2400 HydrophobicContact CG-CE1 3.93Å; Q2335-F2400 HydrophobicContact CG-CZ 4.16Å |
| 2336 | A | 90.2 | Very high | 83.9 | Confident | 2.6 Ų | 2.6 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I2303 I2316 Q2399 | I2303-A2336 HydrophobicContact CG2-CB 3.9Å; I2316-A2336 HydrophobicContact CG1-CB 4.24Å; A2336-Q2399 PolarHBondContact N-O 3.19Å; A2336-Q2399 PolarHBondContact O-N 3Å |
| 2337 | F | 89.7 | Confident | 84.1 | Confident | 4.8 Ų | 4.8 | 26.2 Ų | 26.2 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.6 | 170.9 | -65 | -73.1 | 0 | 0 | 0 | 110 | L2263 L2271 F2274 L2278 P2344 T2345 I2347 V2396 M2397 A2398 | L2263-F2337 HydrophobicContact CD1-CD1 4.02Å; L2263-F2337 HydrophobicContact CD1-CE1 3.93Å; L2271-F2337 HydrophobicContact CD1-CD1 3.76Å; L2271-F2337 HydrophobicContact CD1-CD2 4.45Å; L2271-F2337 HydrophobicContact CD1-CE1 3.71Å; L2271-F2337 HydrophobicContact CD1-CE2 4.44Å; L2271-F2337 HydrophobicContact CD1-CG 4.21Å; L2271-F2337 HydrophobicContact CD1-CZ 4.11Å; L2271-F2337 HydrophobicContact CD2-CB 4.43Å; L2271-F2337 HydrophobicContact CD2-CD1 4.44Å; L2271-F2337 HydrophobicContact CD2-CD2 4.43Å; L2271-F2337 HydrophobicContact CD2-CG 4.23Å; L2271-F2337 HydrophobicContact CG-CD1 4.41Å; L2271-F2337 HydrophobicContact CG-CD2 4.44Å; L2271-F2337 HydrophobicContact CG-CE1 4.4Å; L2271-F2337 HydrophobicContact CG-CG 4.42Å; F2274-F2337 AromaticContact CD1-CE1 3.87Å; F2274-F2337 HydrophobicContact CD1-CE1 3.95Å; F2274-F2337 AromaticContact CD1-CZ 3.92Å; F2274-F2337 HydrophobicContact CD1-CZ 3.94Å; F2274-F2337 AromaticContact CE1-CE1 3.82Å; F2274-F2337 HydrophobicContact CE1-CE1 3.82Å; F2274-F2337 AromaticContact CE1-CZ 3.99Å; F2274-F2337 HydrophobicContact CE1-CZ 4.09Å; L2278-F2337 HydrophobicContact CD2-CZ 4.26Å; F2337-P2344 CarbonylContact O-C 3.56Å; F2337-P2344 VanDerWaalsContact O-CA 3.28Å; F2337-P2344 WeakPolarHBondContact O-CA 3.32Å; F2337-T2345 PolarHBondContact O-N 3.14Å; F2337-T2345 PolarHBondContact O-OG1 2.85Å; F2337-I2347 HydrophobicContact CD2-CD1 3.73Å; F2337-I2347 HydrophobicContact CD2-CG1 3.64Å; F2337-I2347 HydrophobicContact CE2-CD1 3.63Å; F2337-I2347 HydrophobicContact CE2-CG1 4.01Å; F2337-I2347 HydrophobicContact CG-CG1 4.5Å; F2337-V2396 HydrophobicContact CB-CG1 4.02Å; F2337-V2396 HydrophobicContact CD1-CG1 4.3Å; F2337-V2396 HydrophobicContact CG-CG1 4.45Å; F2337-M2397 WeakPolarHBondContact CA-O 3.33Å; F2337-A2398 HydrophobicContact CD1-CB 4.36Å; F2337-A2398 HydrophobicContact CE1-CB 4.15Å |
| 2338 | V | 86.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 152 | -177.7 | -61.4 | 0 | 0 | 0 | 0 | 111 | T2343 P2344 V2396 M2397 Q2399 | V2338-T2343 WeakPolarHBondContact CA-O 3.35Å; V2338-P2344 HydrophobicContact CG1-CG 4.49Å; V2338-V2396 CarbonylContact O-C 3.6Å; V2338-V2396 WeakPolarHBondContact O-CA 3.36Å; V2338-M2397 HydrophobicContact CG2-CB 4.11Å; V2338-M2397 HydrophobicContact CG2-CE 4.34Å; V2338-M2397 PolarHBondContact N-O 3.09Å; V2338-M2397 PolarHBondContact O-N 3.11Å; V2338-Q2399 HydrophobicContact CG1-CB 3.89Å; V2338-Q2399 HydrophobicContact CG1-CG 4.45Å; V2338-Q2399 VanDerWaalsContact CG1-OE1 3.25Å; V2338-Q2399 HydrophobicContact CG2-CB 4.02Å |
| 2339 | N | 82.2 | Confident | 82.5 | Confident | 38.8 Ų | 38.8 | 22.2 Ų | 22.2 | 21% | 0.207 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -179.9 | 169.6 | 68.3 | 15.6 | 0 | 0 | 0 | 111.6 | I2341 G2342 T2343 T2345 M2395 M2397 | N2339-I2341 PolarHBondContact O-N 3.27Å; N2339-I2341 WeakPolarHBondContact OD1-CA 3.23Å; N2339-I2341 WeakPolarHBondContact OD1-CB 3.39Å; N2339-I2341 PolarHBondContact OD1-N 3.04Å; N2339-G2342 PolarHBondContact O-N 3.05Å; N2339-G2342 PolarHBondContact OD1-N 2.85Å; N2339-T2343 PolarHBondContact N-O 3.12Å; N2339-T2343 PolarHBondContact ND2-OG1 3.15Å; N2339-T2343 PolarHBondContact OD1-N 3.07Å; N2339-T2343 VanDerWaalsContact OD1-N 3.11Å; N2339-T2343 PolarHBondContact OD1-O 3.17Å; N2339-T2343 PolarHBondContact OD1-OG1 3.19Å; N2339-T2345 HydrophobicContact CB-CG2 3.82Å; N2339-T2345 PolarHBondContact N-OG1 2.8Å; N2339-M2395 WeakPolarHBondContact CA-O 3.29Å; N2339-M2397 WeakPolarHBondContact O-CE 3.31Å |
| 2340 | Q | 73.5 | Confident | 81.1 | Confident | 58.6 Ų | 58.6 | 26.9 Ų | 26.9 | 27% | 0.274 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -13.7 | 176.1 | 67.7 | -156.2 | 19.5 | 0 | 0 | 116.3 | M2395 | Q2340-M2395 HydrophobicContact CB-CB 4.45Å; Q2340-M2395 PolarHBondContact N-O 3.21Å |
| 2341 | I | 73.8 | Confident | 79.3 | Confident | 115.2 Ų | 115.2 | 31.4 Ų | 31.4 | 59% | 0.591 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -6.5 | 177.6 | -50.1 | 171.6 | 0 | 0 | 0 | 110.4 | N2339 T2343 | N2339-I2341 PolarHBondContact O-N 3.27Å; N2339-I2341 WeakPolarHBondContact OD1-CA 3.23Å; N2339-I2341 WeakPolarHBondContact OD1-CB 3.39Å; N2339-I2341 PolarHBondContact OD1-N 3.04Å; I2341-T2343 VanDerWaalsContact C-N 3.32Å |
| 2342 | G | 76 | Confident | 77.3 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 83.4 | 6.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | N2339 | N2339-G2342 PolarHBondContact O-N 3.05Å; N2339-G2342 PolarHBondContact OD1-N 2.85Å |
| 2343 | T | 81.2 | Confident | 75.3 | Confident | 31.8 Ų | 31.8 | 36.4 Ų | 36.4 | 20% | 0.195 | 19% | 0.193 | C | C | . | . | trans | -81.3 | 132.4 | 174.7 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | V2338 N2339 I2341 T2345 | V2338-T2343 WeakPolarHBondContact CA-O 3.35Å; N2339-T2343 PolarHBondContact N-O 3.12Å; N2339-T2343 PolarHBondContact ND2-OG1 3.15Å; N2339-T2343 PolarHBondContact OD1-N 3.07Å; N2339-T2343 VanDerWaalsContact OD1-N 3.11Å; N2339-T2343 PolarHBondContact OD1-O 3.17Å; N2339-T2343 PolarHBondContact OD1-OG1 3.19Å; I2341-T2343 VanDerWaalsContact C-N 3.32Å; T2343-T2345 PolarHBondContact O-N 3.49Å; T2343-T2345 PolarHBondContact O-OG1 2.78Å | ||
| 2344 | P | 82 | Confident | 73 | Confident | 4.6 Ų | 4.6 | 42 Ų | 42 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -61.2 | 142.4 | 179.2 | -14.4 | 24.7 | 0 | 0 | 0 | 111.9 | I2303 T2308 P2309 A2312 F2337 V2338 | I2303-P2344 HydrophobicContact CG2-CB 4.47Å; I2303-P2344 HydrophobicContact CG2-CG 3.85Å; I2303-P2344 WeakPolarHBondContact O-CD 3.29Å; I2303-P2344 WeakPolarHBondContact O-CG 3.29Å; T2308-P2344 HydrophobicContact CG2-CB 3.68Å; T2308-P2344 HydrophobicContact CG2-CG 3.74Å; P2309-P2344 WeakPolarHBondContact CD-O 3.34Å; A2312-P2344 HydrophobicContact CB-CB 4.32Å; F2337-P2344 CarbonylContact O-C 3.56Å; F2337-P2344 VanDerWaalsContact O-CA 3.28Å; F2337-P2344 WeakPolarHBondContact O-CA 3.32Å; V2338-P2344 HydrophobicContact CG1-CG 4.49Å |
| 2345 | T | 80.5 | Confident | 70.9 | Confident | 23.6 Ų | 23.6 | 48 Ų | 48 | 15% | 0.145 | 25% | 0.251 | C | S | . | . | trans | -122.8 | 133.9 | -176.8 | 16.7 | 0 | 0 | 0 | 0 | 109.4 | F2337 N2339 T2343 | F2337-T2345 PolarHBondContact O-N 3.14Å; F2337-T2345 PolarHBondContact O-OG1 2.85Å; N2339-T2345 HydrophobicContact CB-CG2 3.82Å; N2339-T2345 PolarHBondContact N-OG1 2.8Å; T2343-T2345 PolarHBondContact O-N 3.49Å; T2343-T2345 PolarHBondContact O-OG1 2.78Å | ||
| 2346 | A | 77.9 | Confident | 68.6 | Low | 7.6 Ų | 7.6 | 57.4 Ų | 57.4 | 6% | 0.063 | 29% | 0.292 | C | S | . | . | trans | -67.6 | 139.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | P2309 E2311 A2312 D2315 V2348 H2349 | P2309-A2346 HydrophobicContact CG-CB 4.44Å; E2311-A2346 HydrophobicContact CB-CB 3.6Å; A2312-A2346 HydrophobicContact CB-CB 4.05Å; D2315-A2346 WeakPolarHBondContact OD2-CA 3.33Å; A2346-V2348 VanDerWaalsContact C-N 3.32Å; A2346-V2348 HydrophobicContact CB-CG2 3.95Å; A2346-V2348 PolarHBondContact O-N 3.13Å; A2346-H2349 WeakPolarHBondContact O-CB 3.41Å; A2346-H2349 PolarHBondContact O-N 2.89Å; A2346-H2349 VanDerWaalsContact O-N 3.16Å | ||
| 2347 | I | 74.1 | Confident | 66.5 | Low | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | trans | -68.9 | 51.3 | 174.9 | -58.4 | 172.8 | 0 | 0 | 0 | 108.2 | L2271 Y2272 S2275 D2315 F2337 H2349 Y2350 W2689 | L2271-I2347 HydrophobicContact CB-CG2 4.26Å; L2271-I2347 HydrophobicContact CD2-CG1 4.34Å; L2271-I2347 HydrophobicContact CD2-CG2 4.34Å; L2271-I2347 HydrophobicContact CG-CG1 4.49Å; L2271-I2347 HydrophobicContact CG-CG2 4.22Å; Y2272-I2347 VanDerWaalsContact CA-CG2 3.45Å; Y2272-I2347 HydrophobicContact CD2-CB 4.4Å; Y2272-I2347 HydrophobicContact CD2-CG2 3.82Å; Y2272-I2347 HydrophobicContact CG-CG2 4.22Å; S2275-I2347 WeakPolarHBondContact OG-CD1 3.3Å; D2315-I2347 HydrophobicContact CB-CD1 3.72Å; D2315-I2347 HydrophobicContact CB-CG1 3.94Å; D2315-I2347 WeakPolarHBondContact OD2-CB 3.4Å; D2315-I2347 WeakPolarHBondContact OD2-CG1 3.34Å; D2315-I2347 PolarHBondContact OD2-N 3.17Å; F2337-I2347 HydrophobicContact CD2-CD1 3.73Å; F2337-I2347 HydrophobicContact CD2-CG1 3.64Å; F2337-I2347 HydrophobicContact CE2-CD1 3.63Å; F2337-I2347 HydrophobicContact CE2-CG1 4.01Å; F2337-I2347 HydrophobicContact CG-CG1 4.5Å; I2347-H2349 PolarHBondContact O-N 3.13Å; I2347-H2349 VanDerWaalsContact O-N 3.1Å; I2347-Y2350 PolarHBondContact O-N 3.05Å; I2347-W2689 HydrophobicContact CD1-CH2 4.31Å | ||
| 2348 | V | 65.9 | Low | 64.7 | Low | 60.2 Ų | 60.2 | 60.5 Ų | 60.5 | 37% | 0.365 | 33% | 0.326 | S | S | . | . | trans | -64.7 | 75.8 | 176.8 | -139.7 | 0 | 0 | 0 | 0 | 110.7 | E2311 A2346 Y2350 | E2311-V2348 HydrophobicContact CB-CG2 4.01Å; E2311-V2348 HydrophobicContact CG-CG2 4.38Å; E2311-V2348 VanDerWaalsContact OE2-CG2 3.29Å; E2311-V2348 WeakPolarHBondContact OE2-CG2 3.3Å; A2346-V2348 VanDerWaalsContact C-N 3.32Å; A2346-V2348 HydrophobicContact CB-CG2 3.95Å; A2346-V2348 PolarHBondContact O-N 3.13Å; V2348-Y2350 HydrophobicContact CB-CD2 4.33Å; V2348-Y2350 HydrophobicContact CB-CE2 3.96Å; V2348-Y2350 HydrophobicContact CG1-CD2 4.4Å; V2348-Y2350 HydrophobicContact CG1-CE1 4.32Å; V2348-Y2350 HydrophobicContact CG1-CE2 4.02Å; V2348-Y2350 WeakPolarHBondContact O-CD2 3.36Å; V2348-Y2350 PolarHBondContact O-N 3.08Å; V2348-Y2350 VanDerWaalsContact O-N 3.13Å | ||
| 2349 | H | 60.5 | Low | 63.4 | Low | 88 Ų | 88 | 61.7 Ų | 61.7 | 41% | 0.407 | 33% | 0.33 | S | S | . | . | trans | -72.6 | 47.6 | 173.9 | -78.8 | -31.2 | 0 | 0 | 0 | 111.7 | Y2272 E2311 A2346 I2347 R2394 N2688 W2689 | Y2272-H2349 AromaticContact CD1-ND1 3.73Å; Y2272-H2349 AromaticContact CD2-CE1 3.53Å; Y2272-H2349 WeakPolarHBondContact CD2-CE1 3.39Å; Y2272-H2349 AromaticContact CD2-ND1 3.38Å; Y2272-H2349 VanDerWaalsContact CD2-ND1 3.35Å; Y2272-H2349 WeakPolarHBondContact CD2-ND1 3.38Å; Y2272-H2349 AromaticContact CE1-CE1 3.94Å; Y2272-H2349 AromaticContact CE1-ND1 3.75Å; Y2272-H2349 AromaticContact CE2-CE1 3.26Å; Y2272-H2349 WeakPolarHBondContact CE2-CE1 3.49Å; Y2272-H2349 AromaticContact CE2-ND1 3.46Å; Y2272-H2349 WeakPolarHBondContact CE2-ND1 3.34Å; Y2272-H2349 AromaticContact CE2-NE2 3.86Å; Y2272-H2349 AromaticContact CG-CE1 3.95Å; Y2272-H2349 AromaticContact CG-ND1 3.67Å; Y2272-H2349 AromaticContact CZ-CE1 3.27Å; Y2272-H2349 AromaticContact CZ-ND1 3.57Å; E2311-H2349 IonicContact OE2-CE1 3.58Å; E2311-H2349 PolarHBondContact OE2-CE1 3.19Å; E2311-H2349 IonicContact OE2-ND1 3.84Å; E2311-H2349 IonicContact OE2-NE2 3.29Å; A2346-H2349 WeakPolarHBondContact O-CB 3.41Å; A2346-H2349 PolarHBondContact O-N 2.89Å; A2346-H2349 VanDerWaalsContact O-N 3.16Å; I2347-H2349 PolarHBondContact O-N 3.13Å; I2347-H2349 VanDerWaalsContact O-N 3.1Å; H2349-R2394 PolarHBondContact O-NH1 3.38Å; H2349-N2688 HydrophobicContact CB-CB 4.42Å; H2349-W2689 VanDerWaalsContact O-CD1 3.24Å; H2349-W2689 PolarHBondContact O-NE1 3.25Å | ||
| 2350 | Y | 58.2 | Low | 62.2 | Low | 99 Ų | 99 | 63.3 Ų | 63.3 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | trans | -101.3 | 102.6 | 171.2 | -81.7 | -84.4 | 0 | 0 | 0 | 108.2 | I2268 L2271 I2347 V2348 P2352 R2394 V2396 | I2268-Y2350 HydrophobicContact CG2-CD1 3.94Å; I2268-Y2350 HydrophobicContact CG2-CE1 4.09Å; L2271-Y2350 HydrophobicContact CD2-CD2 3.64Å; L2271-Y2350 HydrophobicContact CD2-CE2 4.25Å; L2271-Y2350 HydrophobicContact CD2-CG 3.93Å; I2347-Y2350 PolarHBondContact O-N 3.05Å; V2348-Y2350 HydrophobicContact CB-CD2 4.33Å; V2348-Y2350 HydrophobicContact CB-CE2 3.96Å; V2348-Y2350 HydrophobicContact CG1-CD2 4.4Å; V2348-Y2350 HydrophobicContact CG1-CE1 4.32Å; V2348-Y2350 HydrophobicContact CG1-CE2 4.02Å; V2348-Y2350 WeakPolarHBondContact O-CD2 3.36Å; V2348-Y2350 PolarHBondContact O-N 3.08Å; V2348-Y2350 VanDerWaalsContact O-N 3.13Å; Y2350-P2352 WeakPolarHBondContact O-CD 3.31Å; Y2350-P2352 VanDerWaalsContact O-N 3.11Å; Y2350-R2394 HydrophobicContact CE1-CB 4.17Å; Y2350-R2394 PolarHBondContact OH-NH1 3.35Å; Y2350-V2396 HydrophobicContact CD1-CG2 4.05Å; Y2350-V2396 HydrophobicContact CD2-CG2 4.41Å; Y2350-V2396 HydrophobicContact CE1-CG2 3.24Å; Y2350-V2396 HydrophobicContact CE2-CG2 3.75Å; Y2350-V2396 WeakPolarHBondContact OH-CG2 3.13Å | ||
| 2351 | D | 53.2 | Low | 61.6 | Low | 95.4 Ų | 95.4 | 63.3 Ų | 63.3 | 51% | 0.51 | 35% | 0.346 | S | S | . | . | trans | -62.4 | 113.9 | 171.2 | -135.6 | -14.8 | 0 | 0 | 0 | 108.2 | H2270 I2353 Y2359 S2653 W2689 | H2270-D2351 IonicContact CE1-OD1 3.65Å; H2270-D2351 PolarHBondContact CE1-OD1 2.96Å; H2270-D2351 IonicContact CG-OD1 2.86Å; H2270-D2351 IonicContact ND1-OD1 3.63Å; H2270-D2351 PolarHBondContact ND1-OD1 3.47Å; H2270-D2351 IonicContact ND1-OD2 3.84Å; D2351-I2353 HydrophobicContact CB-CG1 4.17Å; D2351-I2353 PolarHBondContact O-N 3.03Å; D2351-I2353 VanDerWaalsContact O-N 3.12Å; D2351-Y2359 PolarHBondContact OD2-OH 3.07Å; D2351-S2653 WeakPolarHBondContact OD2-CB 3.15Å; D2351-S2653 PolarHBondContact OD2-OG 3.4Å; D2351-W2689 HydrophobicContact CB-CH2 3.14Å; D2351-W2689 HydrophobicContact CB-CZ2 3.28Å; D2351-W2689 HydrophobicContact CB-CZ3 4.03Å; D2351-W2689 WeakPolarHBondContact OD1-CH2 3.4Å; D2351-W2689 WeakPolarHBondContact OD1-CZ2 3.42Å | ||
| 2352 | P | 49.3 | Very low | 61.2 | Low | 41.2 Ų | 41.2 | 58.1 Ų | 58.1 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | trans | -71.9 | 71.3 | -177.6 | 19.5 | -18.7 | 0 | 0 | 0 | 110.6 | L2269 H2270 Y2350 D2354 Y2359 | L2269-P2352 HydrophobicContact CD2-CG 4.36Å; L2269-P2352 WeakPolarHBondContact O-CA 3.45Å; L2269-P2352 VanDerWaalsContact O-CB 3.23Å; L2269-P2352 WeakPolarHBondContact O-CB 3.4Å; L2269-P2352 WeakPolarHBondContact O-CD 3.47Å; H2270-P2352 WeakPolarHBondContact CE1-CB 3.41Å; H2270-P2352 WeakPolarHBondContact ND1-CB 3.4Å; Y2350-P2352 WeakPolarHBondContact O-CD 3.31Å; Y2350-P2352 VanDerWaalsContact O-N 3.11Å; P2352-D2354 PolarHBondContact O-N 3.39Å; P2352-Y2359 WeakPolarHBondContact CB-OH 3.18Å; P2352-Y2359 WeakPolarHBondContact CG-OH 3.23Å | ||
| 2353 | I | 48.7 | Very low | 60.9 | Low | 65.2 Ų | 65.2 | 58.5 Ų | 58.5 | 33% | 0.334 | 32% | 0.315 | S | S | . | . | trans | -91.6 | 97.8 | 178.8 | -53 | 162.1 | 0 | 0 | 0 | 109.4 | L2269 D2351 Q2355 Y2359 A2650 R2651 W2689 | L2269-I2353 HydrophobicContact CD2-CB 4.25Å; L2269-I2353 HydrophobicContact CD2-CD1 3.68Å; L2269-I2353 HydrophobicContact CD2-CG1 3.98Å; D2351-I2353 HydrophobicContact CB-CG1 4.17Å; D2351-I2353 PolarHBondContact O-N 3.03Å; D2351-I2353 VanDerWaalsContact O-N 3.12Å; I2353-Q2355 VanDerWaalsContact C-N 3.32Å; I2353-Q2355 HydrophobicContact CB-CG 4.11Å; I2353-Q2355 HydrophobicContact CG2-CB 4.11Å; I2353-Q2355 HydrophobicContact CG2-CG 3.51Å; I2353-Q2355 PolarHBondContact O-N 3.17Å; I2353-Y2359 HydrophobicContact CB-CE2 4.45Å; I2353-Y2359 HydrophobicContact CD1-CE1 4.49Å; I2353-Y2359 HydrophobicContact CD1-CE2 3.7Å; I2353-Y2359 VanDerWaalsContact CD1-CZ 3.43Å; I2353-Y2359 WeakPolarHBondContact CD1-OH 3.37Å; I2353-Y2359 HydrophobicContact CG1-CD2 4.27Å; I2353-Y2359 HydrophobicContact CG1-CE1 4.26Å; I2353-Y2359 HydrophobicContact CG1-CE2 3.78Å; I2353-Y2359 VanDerWaalsContact CG1-CZ 3.44Å; I2353-Y2359 WeakPolarHBondContact CG1-OH 3.47Å; I2353-Y2359 HydrophobicContact CG2-CD2 4.19Å; I2353-Y2359 HydrophobicContact CG2-CE1 4.44Å; I2353-Y2359 HydrophobicContact CG2-CE2 3.73Å; I2353-A2650 HydrophobicContact CD1-CB 3.16Å; I2353-A2650 WeakPolarHBondContact CD1-O 3.23Å; I2353-R2651 HydrophobicContact CB-CB 4.35Å; I2353-R2651 HydrophobicContact CB-CG 4.31Å; I2353-R2651 HydrophobicContact CD1-CB 3.68Å; I2353-R2651 HydrophobicContact CD1-CG 3.46Å; I2353-R2651 VanDerWaalsContact CD1-CG 3.46Å; I2353-R2651 HydrophobicContact CG1-CB 4.22Å; I2353-R2651 HydrophobicContact CG1-CG 3.78Å; I2353-W2689 HydrophobicContact CD1-CH2 3.89Å; I2353-W2689 HydrophobicContact CD1-CZ3 3.77Å | ||
| 2354 | D | 46.1 | Very low | 60.1 | Low | 118.6 Ų | 118.6 | 61 Ų | 61 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | trans | -54.9 | 90.6 | 154.8 | -163.5 | -4.7 | 0 | 0 | 0 | 109.2 | P2352 K2356 G2357 G2358 | P2352-D2354 PolarHBondContact O-N 3.39Å; D2354-K2356 PolarHBondContact O-N 3.29Å; D2354-K2356 WeakPolarHBondContact OD1-CB 3.48Å; D2354-K2356 PolarHBondContact OD1-N 2.88Å; D2354-K2356 VanDerWaalsContact OD1-N 3.11Å; D2354-G2357 PolarHBondContact O-N 2.81Å; D2354-G2357 VanDerWaalsContact O-N 3.12Å; D2354-G2358 PolarHBondContact O-N 3.16Å; D2354-G2358 VanDerWaalsContact O-N 3.15Å | ||
| 2355 | Q | 46.8 | Very low | 58.9 | Low | 125 Ų | 125 | 67 Ų | 67 | 58% | 0.584 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -11.9 | -175.6 | -70.5 | 174.3 | -1.8 | 0 | 0 | 113.6 | I2353 G2357 | I2353-Q2355 VanDerWaalsContact C-N 3.32Å; I2353-Q2355 HydrophobicContact CB-CG 4.11Å; I2353-Q2355 HydrophobicContact CG2-CB 4.11Å; I2353-Q2355 HydrophobicContact CG2-CG 3.51Å; I2353-Q2355 PolarHBondContact O-N 3.17Å; Q2355-G2357 VanDerWaalsContact C-N 3.33Å |
| 2356 | K | 44.4 | Very low | 57.8 | Low | 197.4 Ų | 197.4 | 70.7 Ų | 70.7 | 86% | 0.858 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -15.2 | -175.6 | -63.7 | -176.8 | 178.1 | 177.6 | 0 | 114.9 | D2354 | D2354-K2356 PolarHBondContact O-N 3.29Å; D2354-K2356 WeakPolarHBondContact OD1-CB 3.48Å; D2354-K2356 PolarHBondContact OD1-N 2.88Å; D2354-K2356 VanDerWaalsContact OD1-N 3.11Å |
| 2357 | G | 45.7 | Very low | 57.2 | Low | 51.6 Ų | 51.6 | 74.8 Ų | 74.8 | 53% | 0.532 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -4.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | D2354 Q2355 Y2359 N2360 S2361 | D2354-G2357 PolarHBondContact O-N 2.81Å; D2354-G2357 VanDerWaalsContact O-N 3.12Å; Q2355-G2357 VanDerWaalsContact C-N 3.33Å; G2357-Y2359 PolarHBondContact O-N 3.06Å; G2357-N2360 PolarHBondContact O-N 3.46Å; G2357-S2361 PolarHBondContact O-N 3.31Å |
| 2358 | G | 52 | Low | 57.5 | Low | 21.2 Ų | 21.2 | 77.1 Ų | 77.1 | 22% | 0.219 | 42% | 0.423 | C | S | . | . | trans | 25.8 | 179.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D2354 N2360 S2361 F2362 | D2354-G2358 PolarHBondContact O-N 3.16Å; D2354-G2358 VanDerWaalsContact O-N 3.15Å; G2358-N2360 VanDerWaalsContact C-N 3.29Å; G2358-N2360 PolarHBondContact O-N 3.07Å; G2358-S2361 VanDerWaalsContact O-CB 3.26Å; G2358-S2361 WeakPolarHBondContact O-CB 3.37Å; G2358-S2361 PolarHBondContact O-N 3.24Å; G2358-S2361 PolarHBondContact O-OG 3.07Å; G2358-F2362 VanDerWaalsContact O-CD2 3.25Å; G2358-F2362 WeakPolarHBondContact O-CD2 3.3Å; G2358-F2362 PolarHBondContact O-N 3.36Å; G2358-F2362 VanDerWaalsContact O-N 3.14Å | ||
| 2359 | Y | 58.8 | Low | 58.5 | Low | 25.2 Ų | 25.2 | 76.8 Ų | 76.8 | 10% | 0.099 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -61.6 | -15.4 | 178.6 | -78.1 | -78.8 | 0 | 0 | 0 | 114.5 | H2270 D2351 P2352 I2353 G2357 S2361 F2362 F2363 Y2432 T2436 A2650 | H2270-Y2359 AromaticContact CE1-CD1 3.92Å; H2270-Y2359 AromaticContact CE1-CE1 3.49Å; H2270-Y2359 VanDerWaalsContact CE1-CE1 3.48Å; H2270-Y2359 WeakPolarHBondContact CE1-CE1 3.33Å; H2270-Y2359 AromaticContact ND1-CE1 3.87Å; H2270-Y2359 AromaticContact NE2-CE1 3.8Å; D2351-Y2359 PolarHBondContact OD2-OH 3.07Å; P2352-Y2359 WeakPolarHBondContact CB-OH 3.18Å; P2352-Y2359 WeakPolarHBondContact CG-OH 3.23Å; I2353-Y2359 HydrophobicContact CB-CE2 4.45Å; I2353-Y2359 HydrophobicContact CD1-CE1 4.49Å; I2353-Y2359 HydrophobicContact CD1-CE2 3.7Å; I2353-Y2359 VanDerWaalsContact CD1-CZ 3.43Å; I2353-Y2359 WeakPolarHBondContact CD1-OH 3.37Å; I2353-Y2359 HydrophobicContact CG1-CD2 4.27Å; I2353-Y2359 HydrophobicContact CG1-CE1 4.26Å; I2353-Y2359 HydrophobicContact CG1-CE2 3.78Å; I2353-Y2359 VanDerWaalsContact CG1-CZ 3.44Å; I2353-Y2359 WeakPolarHBondContact CG1-OH 3.47Å; I2353-Y2359 HydrophobicContact CG2-CD2 4.19Å; I2353-Y2359 HydrophobicContact CG2-CE1 4.44Å; I2353-Y2359 HydrophobicContact CG2-CE2 3.73Å; G2357-Y2359 PolarHBondContact O-N 3.06Å; Y2359-S2361 VanDerWaalsContact C-N 3.34Å; Y2359-S2361 PolarHBondContact O-N 3.14Å; Y2359-S2361 VanDerWaalsContact O-N 3.08Å; Y2359-F2362 HydrophobicContact CD1-CD2 4.21Å; Y2359-F2362 AromaticContact CD1-CE2 3.6Å; Y2359-F2362 HydrophobicContact CD1-CE2 3.94Å; Y2359-F2362 AromaticContact CD1-CZ 3.89Å; Y2359-F2362 HydrophobicContact CD1-CZ 4.15Å; Y2359-F2362 HydrophobicContact CE1-CE2 4.12Å; Y2359-F2362 HydrophobicContact CE1-CZ 4.37Å; Y2359-F2362 HydrophobicContact CG-CE2 4.2Å; Y2359-F2362 VanDerWaalsContact O-CD2 3.25Å; Y2359-F2362 WeakPolarHBondContact O-CD2 3.3Å; Y2359-F2362 PolarHBondContact O-N 3.24Å; Y2359-F2363 HydrophobicContact CD2-CB 3.93Å; Y2359-F2363 AromaticContact CD2-CD2 3.73Å; Y2359-F2363 HydrophobicContact CD2-CD2 3.73Å; Y2359-F2363 HydrophobicContact CD2-CG 4.11Å; Y2359-F2363 HydrophobicContact CE1-CB 4.26Å; Y2359-F2363 HydrophobicContact CE2-CB 3.42Å; Y2359-F2363 VanDerWaalsContact CE2-CB 3.42Å; Y2359-F2363 AromaticContact CE2-CD2 3.77Å; Y2359-F2363 HydrophobicContact CE2-CD2 3.77Å; Y2359-F2363 AromaticContact CE2-CG 3.7Å; Y2359-F2363 HydrophobicContact CE2-CG 3.7Å; Y2359-F2363 WeakPolarHBondContact O-CA 3.01Å; Y2359-F2363 WeakPolarHBondContact O-CB 3.38Å; Y2359-F2363 PolarHBondContact O-N 3.21Å; Y2359-Y2432 WeakPolarHBondContact CB-O 3.4Å; Y2359-Y2432 HydrophobicContact CD1-CD1 4.26Å; Y2359-Y2432 HydrophobicContact CD1-CG 4.42Å; Y2359-Y2432 WeakPolarHBondContact CD1-O 3.42Å; Y2359-Y2432 HydrophobicContact CD2-CD1 4.44Å; Y2359-Y2432 WeakPolarHBondContact CD2-O 3.42Å; Y2359-Y2432 AromaticContact CE1-CD1 3.59Å; Y2359-Y2432 HydrophobicContact CE1-CD1 3.78Å; Y2359-Y2432 VanDerWaalsContact CE1-CD1 3.47Å; Y2359-Y2432 HydrophobicContact CE1-CE1 4.36Å; Y2359-Y2432 AromaticContact CE1-CG 3.98Å; Y2359-Y2432 HydrophobicContact CE1-CG 4.22Å; Y2359-Y2432 AromaticContact CE2-CD1 3.77Å; Y2359-Y2432 HydrophobicContact CE2-CD1 3.95Å; Y2359-Y2432 HydrophobicContact CE2-CE1 4.45Å; Y2359-Y2432 VanDerWaalsContact CG-O 3.24Å; Y2359-Y2432 AromaticContact CZ-CD1 3.63Å; Y2359-Y2432 AromaticContact CZ-CE1 3.75Å; Y2359-Y2432 VanDerWaalsContact OH-CD1 3.31Å; Y2359-Y2432 WeakPolarHBondContact OH-CD1 3.44Å; Y2359-Y2432 WeakPolarHBondContact OH-CE1 3.12Å; Y2359-T2436 WeakPolarHBondContact CB-OG1 3.3Å; Y2359-T2436 HydrophobicContact CD2-CG2 3.97Å; Y2359-T2436 VanDerWaalsContact CD2-OG1 3.31Å; Y2359-T2436 WeakPolarHBondContact CD2-OG1 3.43Å; Y2359-T2436 HydrophobicContact CE2-CG2 4.21Å; Y2359-A2650 HydrophobicContact CE2-CB 4.3Å; Y2359-A2650 PolarHBondContact OH-O 2.71Å |
| 2360 | N | 57.6 | Low | 59.8 | Low | 72.6 Ų | 72.6 | 76.5 Ų | 76.5 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -61.3 | -17.5 | 174.9 | -69.6 | -23.6 | 0 | 0 | 0 | 112.9 | G2357 G2358 F2362 N2364 A2437 | G2357-N2360 PolarHBondContact O-N 3.46Å; G2358-N2360 VanDerWaalsContact C-N 3.29Å; G2358-N2360 PolarHBondContact O-N 3.07Å; N2360-F2362 VanDerWaalsContact C-N 3.29Å; N2360-F2362 PolarHBondContact O-N 2.99Å; N2360-N2364 WeakPolarHBondContact O-CB 3.44Å; N2360-N2364 VanDerWaalsContact O-CG 3.23Å; N2360-N2364 PolarHBondContact O-N 3Å; N2360-N2364 VanDerWaalsContact O-N 3.12Å; N2360-N2364 PolarHBondContact O-ND2 3.12Å; N2360-N2364 VanDerWaalsContact O-ND2 3.17Å; N2360-N2364 PolarHBondContact O-OD1 3.15Å; N2360-A2437 WeakPolarHBondContact OD1-CA 3.13Å |
| 2361 | S | 61.2 | Low | 61 | Low | 59.4 Ų | 59.4 | 76.5 Ų | 76.5 | 42% | 0.415 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -70.3 | -25 | -179 | 63.6 | 0 | 0 | 0 | 0 | 114.7 | G2357 G2358 Y2359 F2363 N2364 | G2357-S2361 PolarHBondContact O-N 3.31Å; G2358-S2361 VanDerWaalsContact O-CB 3.26Å; G2358-S2361 WeakPolarHBondContact O-CB 3.37Å; G2358-S2361 PolarHBondContact O-N 3.24Å; G2358-S2361 PolarHBondContact O-OG 3.07Å; Y2359-S2361 VanDerWaalsContact C-N 3.34Å; Y2359-S2361 PolarHBondContact O-N 3.14Å; Y2359-S2361 VanDerWaalsContact O-N 3.08Å; S2361-F2363 VanDerWaalsContact C-N 3.28Å; S2361-F2363 PolarHBondContact O-N 3.07Å; S2361-N2364 PolarHBondContact O-N 3Å |
| 2362 | F | 65.4 | Low | 62.6 | Low | 6 Ų | 6 | 72.1 Ų | 72.1 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -41.1 | -178.1 | -68.8 | -66.3 | 0 | 0 | 0 | 113.2 | V2266 H2270 G2358 Y2359 N2360 L2372 Y2432 | V2266-F2362 HydrophobicContact CB-CD1 4.17Å; V2266-F2362 HydrophobicContact CB-CE1 3.84Å; V2266-F2362 HydrophobicContact CB-CZ 4.5Å; V2266-F2362 HydrophobicContact CG1-CD1 3.6Å; V2266-F2362 HydrophobicContact CG1-CD2 4.32Å; V2266-F2362 HydrophobicContact CG1-CE1 3.09Å; V2266-F2362 HydrophobicContact CG1-CE2 4.29Å; V2266-F2362 HydrophobicContact CG1-CG 3.97Å; V2266-F2362 HydrophobicContact CG1-CZ 3.59Å; V2266-F2362 VanDerWaalsContact CG1-CZ 3.45Å; V2266-F2362 HydrophobicContact CG2-CD1 3.5Å; V2266-F2362 VanDerWaalsContact CG2-CD1 3.48Å; V2266-F2362 HydrophobicContact CG2-CE1 3.43Å; V2266-F2362 VanDerWaalsContact CG2-CE1 3.43Å; H2270-F2362 AromaticContact CD2-CE2 3.78Å; H2270-F2362 AromaticContact CD2-CZ 3.65Å; H2270-F2362 VanDerWaalsContact CD2-CZ 3.43Å; H2270-F2362 WeakPolarHBondContact CD2-CZ 3.34Å; H2270-F2362 AromaticContact NE2-CE2 3.43Å; H2270-F2362 WeakPolarHBondContact NE2-CE2 3.23Å; H2270-F2362 AromaticContact NE2-CZ 3.48Å; H2270-F2362 WeakPolarHBondContact NE2-CZ 3.45Å; G2358-F2362 VanDerWaalsContact O-CD2 3.25Å; G2358-F2362 WeakPolarHBondContact O-CD2 3.3Å; G2358-F2362 PolarHBondContact O-N 3.36Å; G2358-F2362 VanDerWaalsContact O-N 3.14Å; Y2359-F2362 HydrophobicContact CD1-CD2 4.21Å; Y2359-F2362 AromaticContact CD1-CE2 3.6Å; Y2359-F2362 HydrophobicContact CD1-CE2 3.94Å; Y2359-F2362 AromaticContact CD1-CZ 3.89Å; Y2359-F2362 HydrophobicContact CD1-CZ 4.15Å; Y2359-F2362 HydrophobicContact CE1-CE2 4.12Å; Y2359-F2362 HydrophobicContact CE1-CZ 4.37Å; Y2359-F2362 HydrophobicContact CG-CE2 4.2Å; Y2359-F2362 VanDerWaalsContact O-CD2 3.25Å; Y2359-F2362 WeakPolarHBondContact O-CD2 3.3Å; Y2359-F2362 PolarHBondContact O-N 3.24Å; N2360-F2362 VanDerWaalsContact C-N 3.29Å; N2360-F2362 PolarHBondContact O-N 2.99Å; F2362-L2372 HydrophobicContact CD1-CD2 4.4Å; F2362-Y2432 WeakPolarHBondContact CD2-O 3.49Å; F2362-Y2432 VanDerWaalsContact CE2-O 3.26Å; F2362-Y2432 WeakPolarHBondContact CE2-O 3.38Å |
| 2363 | F | 68.9 | Low | 64.5 | Low | 26.6 Ų | 26.6 | 70.5 Ų | 70.5 | 12% | 0.117 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 6.2 | -174.1 | -63.1 | -67.9 | 0 | 0 | 0 | 113.6 | Y2359 S2361 F2369 L2372 L2434 V2535 T2539 W2543 | Y2359-F2363 HydrophobicContact CD2-CB 3.93Å; Y2359-F2363 AromaticContact CD2-CD2 3.73Å; Y2359-F2363 HydrophobicContact CD2-CD2 3.73Å; Y2359-F2363 HydrophobicContact CD2-CG 4.11Å; Y2359-F2363 HydrophobicContact CE1-CB 4.26Å; Y2359-F2363 HydrophobicContact CE2-CB 3.42Å; Y2359-F2363 VanDerWaalsContact CE2-CB 3.42Å; Y2359-F2363 AromaticContact CE2-CD2 3.77Å; Y2359-F2363 HydrophobicContact CE2-CD2 3.77Å; Y2359-F2363 AromaticContact CE2-CG 3.7Å; Y2359-F2363 HydrophobicContact CE2-CG 3.7Å; Y2359-F2363 WeakPolarHBondContact O-CA 3.01Å; Y2359-F2363 WeakPolarHBondContact O-CB 3.38Å; Y2359-F2363 PolarHBondContact O-N 3.21Å; S2361-F2363 VanDerWaalsContact C-N 3.28Å; S2361-F2363 PolarHBondContact O-N 3.07Å; F2363-F2369 HydrophobicContact CD1-CD1 4.43Å; F2363-F2369 AromaticContact CD1-CE1 3.88Å; F2363-F2369 HydrophobicContact CD1-CE1 3.88Å; F2363-F2369 HydrophobicContact CE1-CD1 4.31Å; F2363-F2369 AromaticContact CE1-CE1 3.86Å; F2363-F2369 HydrophobicContact CE1-CE1 3.97Å; F2363-L2372 HydrophobicContact CD1-CD1 4.22Å; F2363-L2372 HydrophobicContact CE1-CD1 3.85Å; F2363-L2372 HydrophobicContact CZ-CD1 4.37Å; F2363-L2434 HydrophobicContact CE2-CB 4.02Å; F2363-V2535 HydrophobicContact CB-CG1 4.47Å; F2363-V2535 HydrophobicContact CD2-CG1 4Å; F2363-V2535 HydrophobicContact CG-CG1 4.44Å; F2363-T2539 HydrophobicContact CB-CG2 4Å; F2363-T2539 HydrophobicContact CD1-CG2 3.53Å; F2363-T2539 VanDerWaalsContact CD1-CG2 3.45Å; F2363-T2539 HydrophobicContact CD2-CG2 4.01Å; F2363-T2539 HydrophobicContact CE1-CG2 4.08Å; F2363-T2539 HydrophobicContact CE2-CG2 4.38Å; F2363-T2539 HydrophobicContact CG-CG2 3.76Å; F2363-T2539 HydrophobicContact CZ-CG2 4.3Å; F2363-W2543 AromaticContact CE1-CD2 3.76Å; F2363-W2543 HydrophobicContact CE1-CD2 3.76Å; F2363-W2543 AromaticContact CE1-CE3 3.68Å; F2363-W2543 HydrophobicContact CE1-CE3 3.68Å; F2363-W2543 HydrophobicContact CE1-CG 4.17Å; F2363-W2543 HydrophobicContact CE1-CZ3 4.15Å; F2363-W2543 AromaticContact CZ-CD2 3.81Å; F2363-W2543 HydrophobicContact CZ-CD2 3.81Å; F2363-W2543 AromaticContact CZ-CE2 3.91Å; F2363-W2543 HydrophobicContact CZ-CE3 4.17Å; F2363-W2543 AromaticContact CZ-CG 3.98Å; F2363-W2543 HydrophobicContact CZ-CG 4.08Å; F2363-W2543 HydrophobicContact CZ-CZ2 4.43Å |
| 2364 | N | 63.8 | Low | 66.2 | Low | 84.8 Ų | 84.8 | 70.2 Ų | 70.2 | 45% | 0.453 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -61.9 | 148.9 | 160.3 | -74.9 | -19.9 | 0 | 0 | 0 | 108.1 | N2360 S2361 V2366 Y2367 | N2360-N2364 WeakPolarHBondContact O-CB 3.44Å; N2360-N2364 VanDerWaalsContact O-CG 3.23Å; N2360-N2364 PolarHBondContact O-N 3Å; N2360-N2364 VanDerWaalsContact O-N 3.12Å; N2360-N2364 PolarHBondContact O-ND2 3.12Å; N2360-N2364 VanDerWaalsContact O-ND2 3.17Å; N2360-N2364 PolarHBondContact O-OD1 3.15Å; S2361-N2364 PolarHBondContact O-N 3Å; N2364-V2366 HydrophobicContact CB-CG2 4.4Å; N2364-V2366 PolarHBondContact O-N 3.01Å; N2364-Y2367 PolarHBondContact O-N 2.86Å |
| 2365 | S | 57.6 | Low | 68.4 | Low | 131.4 Ų | 131.4 | 65.5 Ų | 65.5 | 92% | 0.919 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 15.4 | -171.5 | 60.5 | 0 | 0 | 0 | 0 | 117.1 | ||
| 2366 | V | 58.3 | Low | 70.3 | Confident | 99.4 Ų | 99.4 | 64.8 Ų | 64.8 | 60% | 0.602 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -34.2 | 179.5 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | N2364 | N2364-V2366 HydrophobicContact CB-CG2 4.4Å; N2364-V2366 PolarHBondContact O-N 3.01Å |
| 2367 | Y | 63.8 | Low | 72.3 | Confident | 95.4 Ų | 95.4 | 57.9 Ų | 57.9 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | trans | -120.4 | 134.5 | -175.8 | -57.4 | -71.6 | 0 | 0 | 0 | 111.9 | N2364 E2371 L2372 | N2364-Y2367 PolarHBondContact O-N 2.86Å; Y2367-E2371 WeakPolarHBondContact CA-OE2 3.38Å; Y2367-L2372 HydrophobicContact CD2-CD2 4.34Å; Y2367-L2372 HydrophobicContact CG-CD2 4.15Å | ||
| 2368 | S | 80.5 | Confident | 74 | Confident | 55.8 Ų | 55.8 | 56 Ų | 56 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | trans | -74.5 | 157.1 | 164.2 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | D2370 E2371 L2372 | S2368-D2370 VanDerWaalsContact C-N 3.26Å; S2368-D2370 PolarHBondContact O-N 3.1Å; S2368-E2371 PolarHBondContact N-OE2 3.02Å; S2368-E2371 WeakPolarHBondContact O-CB 3.46Å; S2368-E2371 PolarHBondContact O-N 3.09Å; S2368-E2371 VanDerWaalsContact O-N 3.13Å; S2368-E2371 WeakPolarHBondContact OG-CB 3.45Å; S2368-E2371 VanDerWaalsContact OG-CD 3.29Å; S2368-E2371 VanDerWaalsContact OG-CG 3.24Å; S2368-E2371 WeakPolarHBondContact OG-CG 3.42Å; S2368-E2371 PolarHBondContact OG-N 3.11Å; S2368-E2371 PolarHBondContact OG-OE2 2.96Å; S2368-E2371 VanDerWaalsContact OG-OE2 3.09Å; S2368-L2372 PolarHBondContact O-N 3Å | ||
| 2369 | F | 87.4 | Confident | 75.1 | Confident | 53.2 Ų | 53.2 | 60.2 Ų | 60.2 | 23% | 0.233 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -35.8 | 178 | -65.2 | -14.3 | 0 | 0 | 0 | 112.7 | F2363 L2372 T2539 H2542 W2543 F2546 | F2363-F2369 HydrophobicContact CD1-CD1 4.43Å; F2363-F2369 AromaticContact CD1-CE1 3.88Å; F2363-F2369 HydrophobicContact CD1-CE1 3.88Å; F2363-F2369 HydrophobicContact CE1-CD1 4.31Å; F2363-F2369 AromaticContact CE1-CE1 3.86Å; F2363-F2369 HydrophobicContact CE1-CE1 3.97Å; F2369-L2372 HydrophobicContact CD1-CD1 4.45Å; F2369-L2372 PolarHBondContact O-N 3.13Å; F2369-T2539 HydrophobicContact CE1-CG2 3.91Å; F2369-T2539 HydrophobicContact CZ-CG2 3.79Å; F2369-H2542 HydrophobicContact CE2-CB 3.85Å; F2369-H2542 HydrophobicContact CZ-CB 4.23Å; F2369-W2543 HydrophobicContact CB-CE3 4.16Å; F2369-W2543 HydrophobicContact CB-CZ3 3.94Å; F2369-W2543 AromaticContact CD1-CE3 3.71Å; F2369-W2543 HydrophobicContact CD1-CE3 3.71Å; F2369-W2543 HydrophobicContact CD1-CZ3 4.03Å; F2369-W2543 HydrophobicContact CD2-CE3 4.13Å; F2369-W2543 HydrophobicContact CE1-CE3 4.08Å; F2369-W2543 HydrophobicContact CE2-CB 4.45Å; F2369-W2543 HydrophobicContact CE2-CE3 4.45Å; F2369-W2543 AromaticContact CG-CE3 3.75Å; F2369-W2543 HydrophobicContact CG-CE3 3.75Å; F2369-W2543 AromaticContact CG-CZ3 3.99Å; F2369-W2543 HydrophobicContact CG-CZ3 4Å; F2369-W2543 HydrophobicContact CZ-CB 4.28Å; F2369-W2543 HydrophobicContact CZ-CE3 4.44Å; F2369-F2546 HydrophobicContact CB-CD1 3.9Å; F2369-F2546 HydrophobicContact CB-CD2 4.04Å; F2369-F2546 HydrophobicContact CB-CE1 3.87Å; F2369-F2546 HydrophobicContact CB-CE2 4.01Å; F2369-F2546 HydrophobicContact CB-CG 3.97Å; F2369-F2546 HydrophobicContact CB-CZ 3.92Å; F2369-F2546 HydrophobicContact CD2-CB 3.92Å; F2369-F2546 HydrophobicContact CD2-CD1 4.49Å; F2369-F2546 HydrophobicContact CD2-CD2 4.43Å; F2369-F2546 HydrophobicContact CD2-CG 4.06Å; F2369-F2546 HydrophobicContact CG-CG 4.46Å |
| 2370 | D | 87.2 | Confident | 75.6 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 174.9 | -72.2 | -76.6 | 0 | 0 | 0 | 111.9 | S2368 L2372 I2373 S2374 K2550 | S2368-D2370 VanDerWaalsContact C-N 3.26Å; S2368-D2370 PolarHBondContact O-N 3.1Å; D2370-L2372 VanDerWaalsContact C-N 3.3Å; D2370-L2372 PolarHBondContact O-N 2.94Å; D2370-I2373 CarbonylContact O-C 3.53Å; D2370-I2373 PolarHBondContact O-N 3.24Å; D2370-S2374 VanDerWaalsContact O-CA 3.32Å; D2370-S2374 WeakPolarHBondContact O-CA 3.42Å; D2370-S2374 VanDerWaalsContact O-CB 3.24Å; D2370-S2374 WeakPolarHBondContact O-CB 3.34Å; D2370-S2374 PolarHBondContact O-N 3.17Å; D2370-K2550 VanDerWaalsContact OD1-CE 3.25Å; D2370-K2550 WeakPolarHBondContact OD1-CE 3.22Å; D2370-K2550 IonicContact OD1-NZ 3.16Å; D2370-K2550 PolarHBondContact OD1-NZ 2.91Å |
| 2371 | E | 85.3 | Confident | 75.8 | Confident | 98.4 Ų | 98.4 | 66.2 Ų | 66.2 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.4 | -33.1 | 176.7 | -76.1 | 167.8 | 155.5 | 0 | 0 | 113 | Y2367 S2368 I2373 S2374 | Y2367-E2371 WeakPolarHBondContact CA-OE2 3.38Å; S2368-E2371 PolarHBondContact N-OE2 3.02Å; S2368-E2371 WeakPolarHBondContact O-CB 3.46Å; S2368-E2371 PolarHBondContact O-N 3.09Å; S2368-E2371 VanDerWaalsContact O-N 3.13Å; S2368-E2371 WeakPolarHBondContact OG-CB 3.45Å; S2368-E2371 VanDerWaalsContact OG-CD 3.29Å; S2368-E2371 VanDerWaalsContact OG-CG 3.24Å; S2368-E2371 WeakPolarHBondContact OG-CG 3.42Å; S2368-E2371 PolarHBondContact OG-N 3.11Å; S2368-E2371 PolarHBondContact OG-OE2 2.96Å; S2368-E2371 VanDerWaalsContact OG-OE2 3.09Å; E2371-I2373 VanDerWaalsContact C-N 3.27Å; E2371-I2373 PolarHBondContact O-N 2.92Å; E2371-S2374 PolarHBondContact O-N 3.05Å; E2371-S2374 PolarHBondContact O-OG 3.33Å; E2371-S2374 VanDerWaalsContact O-OG 3.12Å |
| 2372 | L | 85 | Confident | 75.4 | Confident | 2.6 Ų | 2.6 | 67.3 Ų | 67.3 | 1% | 0.014 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.9 | -29 | 178.6 | -67.6 | 175.2 | 0 | 0 | 0 | 112.9 | P2264 V2266 F2362 F2363 Y2367 S2368 F2369 D2370 W2543 | P2264-L2372 WeakPolarHBondContact CG-O 3.38Å; V2266-L2372 HydrophobicContact CG2-CD2 3.71Å; F2362-L2372 HydrophobicContact CD1-CD2 4.4Å; F2363-L2372 HydrophobicContact CD1-CD1 4.22Å; F2363-L2372 HydrophobicContact CE1-CD1 3.85Å; F2363-L2372 HydrophobicContact CZ-CD1 4.37Å; Y2367-L2372 HydrophobicContact CD2-CD2 4.34Å; Y2367-L2372 HydrophobicContact CG-CD2 4.15Å; S2368-L2372 PolarHBondContact O-N 3Å; F2369-L2372 HydrophobicContact CD1-CD1 4.45Å; F2369-L2372 PolarHBondContact O-N 3.13Å; D2370-L2372 VanDerWaalsContact C-N 3.3Å; D2370-L2372 PolarHBondContact O-N 2.94Å; L2372-W2543 HydrophobicContact CB-CH2 4.34Å; L2372-W2543 HydrophobicContact CB-CZ3 4.47Å; L2372-W2543 HydrophobicContact CD1-CH2 4.23Å; L2372-W2543 HydrophobicContact CD1-CZ3 3.93Å |
| 2373 | I | 89.1 | Confident | 74.6 | Confident | 7.8 Ų | 7.8 | 70.5 Ų | 70.5 | 4% | 0.04 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -111.6 | 0.4 | 179.2 | 67.1 | 161.3 | 0 | 0 | 0 | 113.3 | D2370 E2371 T2375 C2422 C2425 F2426 W2543 F2546 K2550 | D2370-I2373 CarbonylContact O-C 3.53Å; D2370-I2373 PolarHBondContact O-N 3.24Å; E2371-I2373 VanDerWaalsContact C-N 3.27Å; E2371-I2373 PolarHBondContact O-N 2.92Å; I2373-T2375 PolarHBondContact O-N 2.89Å; I2373-T2375 VanDerWaalsContact O-N 3.14Å; I2373-C2422 PolarHBondContact O-SG 3.21Å; I2373-C2425 HydrophobicContact CB-CB 4.24Å; I2373-C2425 HydrophobicContact CG2-CB 4.1Å; I2373-F2426 HydrophobicContact CG2-CB 4.07Å; I2373-W2543 HydrophobicContact CG2-CH2 4.12Å; I2373-F2546 HydrophobicContact CD1-CE1 3.49Å; I2373-F2546 VanDerWaalsContact CD1-CE1 3.48Å; I2373-F2546 HydrophobicContact CD1-CZ 3.45Å; I2373-F2546 VanDerWaalsContact CD1-CZ 3.45Å; I2373-F2546 HydrophobicContact CG1-CE1 3.91Å; I2373-F2546 HydrophobicContact CG1-CZ 3.85Å; I2373-F2546 HydrophobicContact CG2-CE1 4.41Å; I2373-K2550 HydrophobicContact CD1-CD 4.23Å; I2373-K2550 HydrophobicContact CD1-CG 4.02Å |
| 2374 | S | 86.1 | Confident | 73.5 | Confident | 59.4 Ų | 59.4 | 71 Ų | 71 | 42% | 0.415 | 41% | 0.406 | S | S | . | . | trans | -64.3 | 121.1 | -173.6 | 63 | 0 | 0 | 0 | 0 | 110.9 | P2264 D2370 E2371 | P2264-S2374 WeakPolarHBondContact CD-O 3.3Å; P2264-S2374 WeakPolarHBondContact CG-O 3.41Å; D2370-S2374 VanDerWaalsContact O-CA 3.32Å; D2370-S2374 WeakPolarHBondContact O-CA 3.42Å; D2370-S2374 VanDerWaalsContact O-CB 3.24Å; D2370-S2374 WeakPolarHBondContact O-CB 3.34Å; D2370-S2374 PolarHBondContact O-N 3.17Å; E2371-S2374 PolarHBondContact O-N 3.05Å; E2371-S2374 PolarHBondContact O-OG 3.33Å; E2371-S2374 VanDerWaalsContact O-OG 3.12Å | ||
| 2375 | T | 90.5 | Very high | 72.8 | Confident | 19.6 Ų | 19.6 | 72.8 Ų | 72.8 | 12% | 0.12 | 42% | 0.419 | C | S | . | . | trans | -142.2 | 147.3 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | S2262 I2373 L2418 I2421 C2422 | S2262-T2375 VanDerWaalsContact O-CB 3.26Å; S2262-T2375 WeakPolarHBondContact O-CB 3.37Å; S2262-T2375 PolarHBondContact O-OG1 3.31Å; I2373-T2375 PolarHBondContact O-N 2.89Å; I2373-T2375 VanDerWaalsContact O-N 3.14Å; T2375-L2418 HydrophobicContact CG2-CD1 3.55Å; T2375-L2418 HydrophobicContact CG2-CG 4.35Å; T2375-I2421 HydrophobicContact CG2-CB 4.17Å; T2375-I2421 HydrophobicContact CG2-CG2 3.58Å; T2375-C2422 WeakPolarHBondContact CG2-SG 3.29Å | ||
| 2376 | H | 87.5 | Confident | 72.3 | Confident | 110.2 Ų | 110.2 | 76.6 Ų | 76.6 | 51% | 0.51 | 42% | 0.419 | S | S | . | . | trans | -140.4 | 150.9 | 176.3 | 53.7 | -87.2 | 0 | 0 | 0 | 109.6 | F2261 S2262 C2378 | F2261-H2376 WeakPolarHBondContact CA-O 3.39Å; S2262-H2376 VanDerWaalsContact CB-CE1 3.44Å; S2262-H2376 WeakPolarHBondContact CB-CE1 3.21Å; S2262-H2376 PolarHBondContact N-O 3.29Å; S2262-H2376 PolarHBondContact OG-CD2 3.33Å; S2262-H2376 PolarHBondContact OG-CE1 2.95Å; S2262-H2376 VanDerWaalsContact OG-CG 3.27Å; S2262-H2376 PolarHBondContact OG-N 3.13Å; S2262-H2376 VanDerWaalsContact OG-N 3.11Å; S2262-H2376 PolarHBondContact OG-ND1 3.08Å; S2262-H2376 PolarHBondContact OG-NE2 3.08Å; S2262-H2376 PolarHBondContact OG-O 3.01Å; H2376-C2378 PolarHBondContact CD2-SG 3.07Å; H2376-C2378 VanDerWaalsContact CD2-SG 3.51Å; H2376-C2378 PolarHBondContact NE2-SG 2.92Å; H2376-C2378 PolarHBondContact O-N 3.28Å; H2376-C2378 PolarHBondContact O-SG 3.05Å | ||
| 2377 | C | 87.2 | Confident | 71.7 | Confident | 52 Ų | 52 | 75.6 Ų | 75.6 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 131.8 | 168.6 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | H2260 F2261 E2414 | H2260-C2377 CarbonylContact O-C 3.42Å; H2260-C2377 WeakPolarHBondContact O-CA 3.41Å; F2261-C2377 HydrophobicContact CD1-CB 4.38Å; F2261-C2377 HydrophobicContact CE1-CB 4.16Å; C2377-E2414 WeakPolarHBondContact CB-OE1 3.31Å; C2377-E2414 PolarHBondContact SG-OE1 3.15Å |
| 2378 | C | 80.8 | Confident | 70.9 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 8% | 0.081 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.3 | -176.9 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | H2260 H2376 L2380 L2383 M2397 | H2260-C2378 HydrophobicContact CB-CB 4.34Å; H2260-C2378 PolarHBondContact O-N 3.22Å; H2376-C2378 PolarHBondContact CD2-SG 3.07Å; H2376-C2378 VanDerWaalsContact CD2-SG 3.51Å; H2376-C2378 PolarHBondContact NE2-SG 2.92Å; H2376-C2378 PolarHBondContact O-N 3.28Å; H2376-C2378 PolarHBondContact O-SG 3.05Å; C2378-L2380 PolarHBondContact O-N 2.88Å; C2378-L2383 HydrophobicContact CB-CD1 4.32Å; C2378-M2397 HydrophobicContact CB-SD 4.41Å |
| 2379 | N | 76 | Confident | 69.4 | Low | 109.8 Ų | 109.8 | 81.4 Ų | 81.4 | 59% | 0.587 | 44% | 0.439 | S | S | * | . | trans | -92.5 | 104.7 | 168.2 | -149.6 | -19.7 | 0 | 0 | 0 | 109.4 | E2381 A2382 L2383 | N2379-E2381 VanDerWaalsContact C-N 3.26Å; N2379-E2381 PolarHBondContact O-N 3.15Å; N2379-E2381 PolarHBondContact OD1-N 3.26Å; N2379-A2382 HydrophobicContact CB-CB 4.07Å; N2379-A2382 WeakPolarHBondContact O-CB 3.43Å; N2379-A2382 PolarHBondContact O-N 3.2Å; N2379-A2382 VanDerWaalsContact O-N 3.08Å; N2379-L2383 PolarHBondContact O-N 3.14Å | ||
| 2380 | L | 67.8 | Low | 67.4 | Low | 41.4 Ų | 41.4 | 88.8 Ų | 88.8 | 22% | 0.217 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -34 | -176.2 | -165.3 | 74.3 | 0 | 0 | 0 | 112.2 | C2378 A2382 L2383 M2397 | C2378-L2380 PolarHBondContact O-N 2.88Å; L2380-A2382 VanDerWaalsContact C-N 3.27Å; L2380-A2382 PolarHBondContact O-N 2.99Å; L2380-L2383 PolarHBondContact O-N 3.18Å; L2380-M2397 HydrophobicContact CD1-CE 3.5Å; L2380-M2397 HydrophobicContact CD1-SD 4.44Å |
| 2381 | E | 63.3 | Low | 65.3 | Low | 182 Ų | 182 | 87.6 Ų | 87.6 | 85% | 0.85 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -32 | 176.8 | -63.3 | -171.9 | 165.9 | 0 | 0 | 112.3 | N2379 | N2379-E2381 VanDerWaalsContact C-N 3.26Å; N2379-E2381 PolarHBondContact O-N 3.15Å; N2379-E2381 PolarHBondContact OD1-N 3.26Å |
| 2382 | A | 52.2 | Low | 63.4 | Low | 82.2 Ų | 82.2 | 95.2 Ų | 95.2 | 68% | 0.679 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -24.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N2379 L2380 G2384 | N2379-A2382 HydrophobicContact CB-CB 4.07Å; N2379-A2382 WeakPolarHBondContact O-CB 3.43Å; N2379-A2382 PolarHBondContact O-N 3.2Å; N2379-A2382 VanDerWaalsContact O-N 3.08Å; L2380-A2382 VanDerWaalsContact C-N 3.27Å; L2380-A2382 PolarHBondContact O-N 2.99Å; A2382-G2384 PolarHBondContact O-N 3.08Å |
| 2383 | L | 49.5 | Very low | 61.8 | Low | 72.6 Ų | 72.6 | 102.8 Ų | 102.8 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -74.2 | 57.1 | 167.2 | -87.3 | 105.1 | 0 | 0 | 0 | 110.3 | C2378 N2379 L2380 V2385 | C2378-L2383 HydrophobicContact CB-CD1 4.32Å; N2379-L2383 PolarHBondContact O-N 3.14Å; L2380-L2383 PolarHBondContact O-N 3.18Å; L2383-V2385 PolarHBondContact O-N 3.05Å |
| 2384 | G | 45.4 | Very low | 60.4 | Low | 38.2 Ų | 38.2 | 111 Ų | 111 | 39% | 0.394 | 56% | 0.557 | S | S | . | * | trans | -52.6 | 144.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A2382 K2386 S2387 | A2382-G2384 PolarHBondContact O-N 3.08Å; G2384-K2386 PolarHBondContact O-N 2.97Å; G2384-S2387 PolarHBondContact O-N 2.95Å | ||
| 2385 | V | 48.2 | Very low | 59.7 | Low | 122.2 Ų | 122.2 | 111.6 Ų | 111.6 | 74% | 0.741 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -44.1 | -18.4 | -177.8 | -179.6 | 0 | 0 | 0 | 0 | 114.8 | L2383 S2387 I2388 | L2383-V2385 PolarHBondContact O-N 3.05Å; V2385-S2387 PolarHBondContact O-N 2.96Å; V2385-I2388 HydrophobicContact CB-CD1 4.28Å; V2385-I2388 HydrophobicContact CG1-CD1 4.09Å; V2385-I2388 HydrophobicContact CG2-CD1 4.49Å; V2385-I2388 WeakPolarHBondContact O-CG1 3.23Å; V2385-I2388 PolarHBondContact O-N 3.11Å |
| 2386 | K | 47.4 | Very low | 59.4 | Low | 212.2 Ų | 212.2 | 111 Ų | 111 | 92% | 0.923 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -68.8 | -23 | -177.3 | -66.3 | -175.2 | 178.5 | 177.8 | 0 | 115 | G2384 | G2384-K2386 PolarHBondContact O-N 2.97Š|
| 2387 | S | 45.9 | Very low | 59.4 | Low | 78.6 Ų | 78.6 | 105.8 Ų | 105.8 | 55% | 0.55 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -89.7 | -6.9 | 179.8 | 75.3 | 0 | 0 | 0 | 0 | 114.8 | G2384 V2385 K2389 K2390 | G2384-S2387 PolarHBondContact O-N 2.95Å; V2385-S2387 PolarHBondContact O-N 2.96Å; S2387-K2389 VanDerWaalsContact C-N 3.26Å; S2387-K2389 PolarHBondContact O-N 3.25Å; S2387-K2389 VanDerWaalsContact O-N 3.09Å; S2387-K2390 PolarHBondContact O-N 2.79Å |
| 2388 | I | 47.5 | Very low | 59.7 | Low | 65 Ų | 65 | 103.4 Ų | 103.4 | 33% | 0.333 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -20.7 | -167.3 | -63.2 | 177.9 | 0 | 0 | 0 | 114 | V2385 K2390 | V2385-I2388 HydrophobicContact CB-CD1 4.28Å; V2385-I2388 HydrophobicContact CG1-CD1 4.09Å; V2385-I2388 HydrophobicContact CG2-CD1 4.49Å; V2385-I2388 WeakPolarHBondContact O-CG1 3.23Å; V2385-I2388 PolarHBondContact O-N 3.11Å; I2388-K2390 PolarHBondContact O-N 3.14Å |
| 2389 | K | 48.3 | Very low | 60.2 | Low | 208 Ų | 208 | 103.3 Ų | 103.3 | 90% | 0.904 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -14.5 | -172.6 | -72.6 | -170.6 | 177.4 | -178.6 | 0 | 116.1 | S2387 | S2387-K2389 VanDerWaalsContact C-N 3.26Å; S2387-K2389 PolarHBondContact O-N 3.25Å; S2387-K2389 VanDerWaalsContact O-N 3.09Å |
| 2390 | K | 44.9 | Very low | 61.1 | Low | 206.8 Ų | 206.8 | 98.1 Ų | 98.1 | 90% | 0.899 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -104.9 | -15.3 | -170.9 | -76.4 | -173.1 | 177.2 | -179.9 | 0 | 116.1 | S2387 I2388 | S2387-K2390 PolarHBondContact O-N 2.79Å; I2388-K2390 PolarHBondContact O-N 3.14Å |
| 2391 | S | 43.8 | Very low | 62.2 | Low | 58.2 Ų | 58.2 | 96.1 Ų | 96.1 | 41% | 0.407 | 47% | 0.47 | S | S | . | . | trans | -104.5 | 97.9 | 177.5 | 136.3 | 0 | 0 | 0 | 0 | 110.9 | K2393 | S2391-K2393 PolarHBondContact O-N 3.18Å; S2391-K2393 PolarHBondContact OG-N 3.13Å; S2391-K2393 PolarHBondContact OG-O 2.83Å | ||
| 2392 | R | 44.3 | Very low | 63.6 | Low | 257.6 Ų | 257.6 | 87.4 Ų | 87.4 | 97% | 0.972 | 43% | 0.43 | S | S | * | . | trans | -70.6 | -3.7 | 167.1 | -87.5 | -175.1 | 177.7 | 170.6 | -1 | 113.3 | R2394 | R2392-R2394 PolarHBondContact O-N 3.15Š| ||
| 2393 | K | 52.6 | Low | 65.5 | Low | 164 Ų | 164 | 83.9 Ų | 83.9 | 71% | 0.713 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -77.7 | 123.6 | 178.7 | -70.9 | -175 | 176.7 | -176.6 | 0 | 108.7 | S2391 M2395 | S2391-K2393 PolarHBondContact O-N 3.18Å; S2391-K2393 PolarHBondContact OG-N 3.13Å; S2391-K2393 PolarHBondContact OG-O 2.83Å; K2393-M2395 PolarHBondContact O-N 3.1Å |
| 2394 | R | 59.6 | Low | 67.4 | Low | 179.6 Ų | 179.6 | 85.8 Ų | 85.8 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | trans | -56.3 | 108.1 | 172.1 | -109.6 | -177.8 | -172.5 | 176.5 | 1.1 | 108.1 | H2349 Y2350 R2392 | H2349-R2394 PolarHBondContact O-NH1 3.38Å; Y2350-R2394 HydrophobicContact CE1-CB 4.17Å; Y2350-R2394 PolarHBondContact OH-NH1 3.35Å; R2392-R2394 PolarHBondContact O-N 3.15Å | ||
| 2395 | M | 71.1 | Confident | 69.5 | Low | 71.6 Ų | 71.6 | 86.7 Ų | 86.7 | 35% | 0.353 | 39% | 0.393 | S | S | . | . | trans | -97.2 | 122.3 | 178.9 | -160.1 | 170.5 | 179.7 | 0 | 0 | 108.5 | N2339 Q2340 K2393 M2397 | N2339-M2395 WeakPolarHBondContact CA-O 3.29Å; Q2340-M2395 HydrophobicContact CB-CB 4.45Å; Q2340-M2395 PolarHBondContact N-O 3.21Å; K2393-M2395 PolarHBondContact O-N 3.1Å; M2395-M2397 HydrophobicContact CE-SD 4.48Å | ||
| 2396 | V | 84.4 | Confident | 71.3 | Confident | 6.2 Ų | 6.2 | 83.1 Ų | 83.1 | 4% | 0.038 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136.8 | 177.3 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | L2263 I2268 L2271 F2337 V2338 Y2350 | L2263-V2396 HydrophobicContact CD1-CG1 4.36Å; I2268-V2396 HydrophobicContact CD1-CB 4.43Å; I2268-V2396 HydrophobicContact CG1-CB 4.26Å; I2268-V2396 HydrophobicContact CG2-CB 4.35Å; I2268-V2396 HydrophobicContact CG2-CG2 4.02Å; L2271-V2396 HydrophobicContact CD1-CG1 4.31Å; L2271-V2396 HydrophobicContact CD2-CG1 4.08Å; F2337-V2396 HydrophobicContact CB-CG1 4.02Å; F2337-V2396 HydrophobicContact CD1-CG1 4.3Å; F2337-V2396 HydrophobicContact CG-CG1 4.45Å; V2338-V2396 CarbonylContact O-C 3.6Å; V2338-V2396 WeakPolarHBondContact O-CA 3.36Å; Y2350-V2396 HydrophobicContact CD1-CG2 4.05Å; Y2350-V2396 HydrophobicContact CD2-CG2 4.41Å; Y2350-V2396 HydrophobicContact CE1-CG2 3.24Å; Y2350-V2396 HydrophobicContact CE2-CG2 3.75Å; Y2350-V2396 WeakPolarHBondContact OH-CG2 3.13Å |
| 2397 | M | 88.3 | Confident | 73 | Confident | 2.2 Ų | 2.2 | 79.9 Ų | 79.9 | 1% | 0.011 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.3 | 177.5 | -66.5 | 175.6 | -67.3 | 0 | 0 | 109.6 | F2261 F2337 V2338 N2339 C2378 L2380 M2395 | F2261-M2397 CarbonylContact O-C 3.44Å; F2261-M2397 VanDerWaalsContact O-CA 3.28Å; F2261-M2397 WeakPolarHBondContact O-CA 3.43Å; F2261-M2397 VanDerWaalsContact O-CB 3.32Å; F2261-M2397 WeakPolarHBondContact O-CB 3.34Å; F2337-M2397 WeakPolarHBondContact CA-O 3.33Å; V2338-M2397 HydrophobicContact CG2-CB 4.11Å; V2338-M2397 HydrophobicContact CG2-CE 4.34Å; V2338-M2397 PolarHBondContact N-O 3.09Å; V2338-M2397 PolarHBondContact O-N 3.11Å; N2339-M2397 WeakPolarHBondContact O-CE 3.31Å; C2378-M2397 HydrophobicContact CB-SD 4.41Å; L2380-M2397 HydrophobicContact CD1-CE 3.5Å; L2380-M2397 HydrophobicContact CD1-SD 4.44Å; M2395-M2397 HydrophobicContact CE-SD 4.48Å |
| 2398 | A | 92.4 | Very high | 75 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 123.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | H2260 F2261 L2263 F2337 F2400 I2421 | H2260-A2398 CarbonylContact C-O 3.54Å; H2260-A2398 WeakPolarHBondContact CA-O 3.41Å; F2261-A2398 HydrophobicContact CB-CB 4.48Å; F2261-A2398 PolarHBondContact N-O 3.13Å; F2261-A2398 PolarHBondContact O-N 3.07Å; L2263-A2398 HydrophobicContact CD1-CB 4.43Å; L2263-A2398 HydrophobicContact CD2-CB 4.11Å; L2263-A2398 HydrophobicContact CG-CB 4.47Å; F2337-A2398 HydrophobicContact CD1-CB 4.36Å; F2337-A2398 HydrophobicContact CE1-CB 4.15Å; A2398-F2400 HydrophobicContact CB-CE2 3.94Å; A2398-I2421 HydrophobicContact CB-CD1 4.42Å |
| 2399 | Q | 92.2 | Very high | 76.9 | Confident | 11.2 Ų | 11.2 | 75.9 Ų | 75.9 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.4 | 176 | 178.7 | -179 | 59.2 | 0 | 0 | 109.7 | Y2258 L2259 H2260 Q2335 A2336 V2338 V2401 | Y2258-Q2399 HydrophobicContact CD1-CG 4.49Å; L2259-Q2399 CarbonylContact O-C 3.57Å; L2259-Q2399 WeakPolarHBondContact O-CA 3.39Å; H2260-Q2399 PolarHBondContact NE2-NE2 3.24Å; H2260-Q2399 VanDerWaalsContact NE2-NE2 3.14Å; Q2335-Q2399 CarbonylContact C-O 3.55Å; Q2335-Q2399 WeakPolarHBondContact CA-O 3.33Å; A2336-Q2399 PolarHBondContact N-O 3.19Å; A2336-Q2399 PolarHBondContact O-N 3Å; V2338-Q2399 HydrophobicContact CG1-CB 3.89Å; V2338-Q2399 HydrophobicContact CG1-CG 4.45Å; V2338-Q2399 VanDerWaalsContact CG1-OE1 3.25Å; V2338-Q2399 HydrophobicContact CG2-CB 4.02Å; Q2399-V2401 HydrophobicContact CG-CG2 3.91Å |
| 2400 | F | 93.5 | Very high | 78.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.4 | 170.1 | -62.5 | -96.9 | 0 | 0 | 0 | 109.1 | L2259 F2261 L2278 L2282 V2333 C2334 Q2335 A2398 I2417 I2421 | L2259-F2400 HydrophobicContact CB-CB 4.24Å; L2259-F2400 PolarHBondContact N-O 3.16Å; L2259-F2400 PolarHBondContact O-N 3.15Å; F2261-F2400 AromaticContact CD2-CD2 3.71Å; F2261-F2400 HydrophobicContact CD2-CD2 3.71Å; F2261-F2400 AromaticContact CD2-CE2 3.85Å; F2261-F2400 HydrophobicContact CD2-CE2 3.85Å; F2261-F2400 AromaticContact CE2-CD2 3.72Å; F2261-F2400 HydrophobicContact CE2-CD2 3.72Å; F2261-F2400 HydrophobicContact CE2-CE2 4.11Å; L2278-F2400 HydrophobicContact CD2-CZ 4.21Å; L2282-F2400 HydrophobicContact CD1-CE1 3.7Å; L2282-F2400 HydrophobicContact CD1-CZ 4.12Å; L2282-F2400 HydrophobicContact CD2-CE1 4.25Å; V2333-F2400 HydrophobicContact CG1-CB 4.25Å; V2333-F2400 HydrophobicContact CG1-CD1 3.82Å; C2334-F2400 CarbonylContact O-C 3.55Å; C2334-F2400 VanDerWaalsContact O-CA 3.28Å; C2334-F2400 WeakPolarHBondContact O-CA 3.4Å; Q2335-F2400 HydrophobicContact CB-CD1 4.15Å; Q2335-F2400 HydrophobicContact CB-CE1 3.88Å; Q2335-F2400 HydrophobicContact CG-CE1 3.93Å; Q2335-F2400 HydrophobicContact CG-CZ 4.16Å; A2398-F2400 HydrophobicContact CB-CE2 3.94Å; F2400-I2417 HydrophobicContact CB-CD1 4.29Å; F2400-I2417 HydrophobicContact CD1-CD1 4.08Å; F2400-I2417 HydrophobicContact CD1-CG2 4.31Å; F2400-I2417 HydrophobicContact CD2-CG2 3.71Å; F2400-I2417 HydrophobicContact CE1-CG2 4.03Å; F2400-I2417 HydrophobicContact CE2-CG2 3.39Å; F2400-I2417 HydrophobicContact CG-CD1 4.07Å; F2400-I2417 HydrophobicContact CG-CG2 4.16Å; F2400-I2417 HydrophobicContact CZ-CG2 3.55Å; F2400-I2421 HydrophobicContact CE2-CD1 4.07Å |
| 2401 | V | 91.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.7 | 178.3 | -169.6 | 0 | 0 | 0 | 0 | 108.4 | P2256 Y2258 I2303 V2333 C2334 Q2399 W2403 | P2256-V2401 HydrophobicContact CB-CG1 3.41Å; P2256-V2401 VanDerWaalsContact CB-CG1 3.41Å; P2256-V2401 HydrophobicContact CG-CG1 3.72Å; Y2258-V2401 HydrophobicContact CD1-CB 4.47Å; Y2258-V2401 HydrophobicContact CD1-CG1 4.21Å; Y2258-V2401 HydrophobicContact CD1-CG2 3.68Å; Y2258-V2401 HydrophobicContact CE1-CB 4.42Å; Y2258-V2401 HydrophobicContact CE1-CG1 3.88Å; Y2258-V2401 HydrophobicContact CE1-CG2 3.65Å; I2303-V2401 HydrophobicContact CD1-CB 4.35Å; I2303-V2401 HydrophobicContact CD1-CG2 4.09Å; I2303-V2401 HydrophobicContact CG1-CB 4.39Å; I2303-V2401 HydrophobicContact CG1-CG2 3.86Å; V2333-V2401 WeakPolarHBondContact CA-O 3.35Å; C2334-V2401 HydrophobicContact CB-CB 4.44Å; C2334-V2401 PolarHBondContact N-O 3.14Å; C2334-V2401 PolarHBondContact O-N 3.1Å; Q2399-V2401 HydrophobicContact CG-CG2 3.91Å; V2401-W2403 HydrophobicContact CB-CH2 3.95Å; V2401-W2403 HydrophobicContact CB-CZ3 3.88Å; V2401-W2403 HydrophobicContact CG1-CE3 4.28Å; V2401-W2403 HydrophobicContact CG1-CH2 3.28Å; V2401-W2403 HydrophobicContact CG1-CZ2 3.79Å; V2401-W2403 HydrophobicContact CG1-CZ3 3.56Å; V2401-W2403 WeakPolarHBondContact O-CZ3 3.43Å |
| 2402 | V | 92.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.7 | -168.8 | -173 | 0 | 0 | 0 | 0 | 110.8 | H2257 L2259 V2332 V2333 M2410 L2413 | H2257-V2402 HydrophobicContact CB-CB 4.41Å; H2257-V2402 PolarHBondContact N-O 3Å; H2257-V2402 PolarHBondContact O-N 3.01Å; L2259-V2402 HydrophobicContact CD1-CG2 4.33Å; V2332-V2402 VanDerWaalsContact O-CA 3.32Å; V2332-V2402 WeakPolarHBondContact O-CA 3.31Å; V2333-V2402 HydrophobicContact CG1-CG2 4.25Å; V2333-V2402 HydrophobicContact CG2-CG1 4.21Å; V2333-V2402 HydrophobicContact CG2-CG2 4.16Å; V2402-M2410 HydrophobicContact CB-CE 4.09Å; V2402-M2410 HydrophobicContact CG1-CE 4.08Å; V2402-M2410 HydrophobicContact CG1-SD 4.2Å; V2402-M2410 HydrophobicContact CG2-CE 4.17Å; V2402-L2413 HydrophobicContact CG1-CD2 4.04Å; V2402-L2413 HydrophobicContact CG2-CD2 4.19Å |
| 2403 | W | 92.3 | Very high | 85.8 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.1 | 164.5 | -65.8 | -95.7 | 0 | 0 | 0 | 108.3 | Q2250 S2254 P2256 L2302 S2331 V2332 C2334 V2401 | Q2250-W2403 HydrophobicContact CB-CG 4.47Å; Q2250-W2403 HydrophobicContact CG-CD2 3.94Å; Q2250-W2403 HydrophobicContact CG-CG 3.95Å; Q2250-W2403 HydrophobicContact CG-CZ2 4.48Å; Q2250-W2403 VanDerWaalsContact NE2-CE2 3.32Å; Q2250-W2403 VanDerWaalsContact NE2-CH2 3.33Å; S2254-W2403 VanDerWaalsContact OG-CD1 3.27Å; S2254-W2403 PolarHBondContact OG-NE1 2.78Å; P2256-W2403 HydrophobicContact CB-CD2 4.06Å; P2256-W2403 HydrophobicContact CB-CG 4.42Å; P2256-W2403 HydrophobicContact CB-CH2 4.47Å; P2256-W2403 HydrophobicContact CB-CZ2 3.81Å; P2256-W2403 HydrophobicContact CG-CZ2 3.97Å; L2302-W2403 HydrophobicContact CB-CZ2 4.27Å; L2302-W2403 HydrophobicContact CD1-CZ2 3.7Å; S2331-W2403 CarbonylContact C-O 3.5Å; S2331-W2403 WeakPolarHBondContact CA-O 3.33Å; S2331-W2403 WeakPolarHBondContact CB-O 3.46Å; V2332-W2403 HydrophobicContact CB-CB 4.4Å; V2332-W2403 HydrophobicContact CB-CE3 4.47Å; V2332-W2403 HydrophobicContact CG1-CE3 4.48Å; V2332-W2403 PolarHBondContact N-O 3.06Å; V2332-W2403 PolarHBondContact O-N 3.22Å; C2334-W2403 HydrophobicContact CB-CZ3 4.25Å; V2401-W2403 HydrophobicContact CB-CH2 3.95Å; V2401-W2403 HydrophobicContact CB-CZ3 3.88Å; V2401-W2403 HydrophobicContact CG1-CE3 4.28Å; V2401-W2403 HydrophobicContact CG1-CH2 3.28Å; V2401-W2403 HydrophobicContact CG1-CZ2 3.79Å; V2401-W2403 HydrophobicContact CG1-CZ3 3.56Å; V2401-W2403 WeakPolarHBondContact O-CZ3 3.43Å |
| 2404 | R | 90 | Very high | 87.7 | Confident | 113.2 Ų | 113.2 | 45.7 Ų | 45.7 | 43% | 0.427 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.7 | -176.9 | 64.5 | 179.9 | 177.9 | 177.7 | -5.6 | 111.6 | H2257 S2331 V2408 | H2257-R2404 PolarHBondContact CE1-NE 3.24Å; H2257-R2404 PolarHBondContact NE2-NH2 3.17Å; H2257-R2404 VanDerWaalsContact NE2-NH2 3.18Å; S2331-R2404 WeakPolarHBondContact OG-CA 3.36Å; S2331-R2404 VanDerWaalsContact OG-CB 3.3Å; S2331-R2404 WeakPolarHBondContact OG-CB 3.34Å; R2404-V2408 HydrophobicContact CB-CB 4.27Å; R2404-V2408 HydrophobicContact CB-CG2 4.31Å; R2404-V2408 PolarHBondContact NH1-O 3.44Å |
| 2405 | R | 88.9 | Confident | 89.3 | Confident | 57.4 Ų | 57.4 | 40.4 Ų | 40.4 | 22% | 0.217 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.3 | 166.8 | -71.1 | -57.7 | -160.3 | 146 | 11.1 | 109.2 | D2222 L2226 F2248 L2249 G2329 L2330 | D2222-R2405 IonicContact OD2-CZ 3.45Å; D2222-R2405 IonicContact OD2-NH1 3.18Å; D2222-R2405 PolarHBondContact OD2-NH1 3.09Å; D2222-R2405 IonicContact OD2-NH2 3.47Å; L2226-R2405 HydrophobicContact CD1-CB 4.24Å; F2248-R2405 HydrophobicContact CE1-CG 4.31Å; F2248-R2405 HydrophobicContact CZ-CG 4.46Å; F2248-R2405 VanDerWaalsContact O-CZ 3.24Å; F2248-R2405 PolarHBondContact O-NE 3.3Å; F2248-R2405 PolarHBondContact O-NH2 3.04Å; L2249-R2405 HydrophobicContact CD2-CB 4.28Å; L2249-R2405 HydrophobicContact CD2-CG 4.08Å; G2329-R2405 CarbonylContact C-O 3.56Å; G2329-R2405 VanDerWaalsContact CA-O 3.29Å; G2329-R2405 WeakPolarHBondContact CA-O 3.33Å; L2330-R2405 PolarHBondContact N-O 3.23Å; L2330-R2405 PolarHBondContact O-N 3.1Å |
| 2406 | G | 85.9 | Confident | 90.4 | Very high | 46.8 Ų | 46.8 | 39.8 Ų | 39.8 | 48% | 0.482 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.1 | -157.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K2328 V2408 | K2328-G2406 WeakPolarHBondContact O-CA 3.41Å; G2406-V2408 PolarHBondContact O-N 3.06Å; G2406-V2408 VanDerWaalsContact O-N 3.16Å |
| 2407 | M | 84.7 | Confident | 90.9 | Very high | 145.4 Ų | 145.4 | 39.5 Ų | 39.5 | 72% | 0.716 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -84.6 | 94 | -172.6 | -67.3 | -64.2 | -71.5 | 0 | 0 | 111 | P2323 K2328 | P2323-M2407 WeakPolarHBondContact CG-O 3.36Å; K2328-M2407 PolarHBondContact O-N 3.26Å |
| 2408 | V | 86.6 | Confident | 91.2 | Very high | 9.6 Ų | 9.6 | 41.7 Ų | 41.7 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | trans | -120.3 | 118.2 | 174.4 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | Y2321 P2323 S2331 R2404 G2406 M2410 | Y2321-V2408 HydrophobicContact CD1-CG1 3.87Å; Y2321-V2408 HydrophobicContact CE1-CG1 3.71Å; P2323-V2408 HydrophobicContact CG-CG2 4.18Å; S2331-V2408 WeakPolarHBondContact OG-CG1 3.31Å; S2331-V2408 WeakPolarHBondContact OG-CG2 3.31Å; R2404-V2408 HydrophobicContact CB-CB 4.27Å; R2404-V2408 HydrophobicContact CB-CG2 4.31Å; R2404-V2408 PolarHBondContact NH1-O 3.44Å; G2406-V2408 PolarHBondContact O-N 3.06Å; G2406-V2408 VanDerWaalsContact O-N 3.16Å; V2408-M2410 PolarHBondContact O-N 3Å | ||
| 2409 | D | 88.3 | Confident | 91.3 | Very high | 48.8 Ų | 48.8 | 43.9 Ų | 43.9 | 26% | 0.261 | 24% | 0.236 | S | C | . | . | trans | -79.4 | 109.9 | 176.7 | 177.6 | -1.7 | 0 | 0 | 0 | 109.8 | R2327 D2411 T2412 L2413 | R2327-D2409 IonicContact NH1-OD2 3.37Å; R2327-D2409 PolarHBondContact NH1-OD2 3.07Å; R2327-D2409 VanDerWaalsContact NH1-OD2 3.13Å; D2409-D2411 PolarHBondContact OD1-N 3.15Å; D2409-D2411 VanDerWaalsContact OD1-N 3.09Å; D2409-T2412 VanDerWaalsContact CG-OG1 3.29Å; D2409-T2412 PolarHBondContact OD1-N 3.09Å; D2409-T2412 WeakPolarHBondContact OD2-CB 3.37Å; D2409-T2412 PolarHBondContact OD2-OG1 3.18Å; D2409-L2413 PolarHBondContact O-N 3.13Å; D2409-L2413 VanDerWaalsContact O-N 3.16Å | ||
| 2410 | M | 90.4 | Very high | 91.4 | Very high | 24.4 Ų | 24.4 | 43.5 Ų | 43.5 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.1 | -30.7 | -176 | -68 | -57.7 | -57.6 | 0 | 0 | 112.2 | H2257 L2259 V2402 V2408 L2413 E2414 | H2257-M2410 HydrophobicContact CB-CE 4.06Å; L2259-M2410 HydrophobicContact CD1-CE 4.19Å; V2402-M2410 HydrophobicContact CB-CE 4.09Å; V2402-M2410 HydrophobicContact CG1-CE 4.08Å; V2402-M2410 HydrophobicContact CG1-SD 4.2Å; V2402-M2410 HydrophobicContact CG2-CE 4.17Å; V2408-M2410 PolarHBondContact O-N 3Å; M2410-L2413 HydrophobicContact CE-CD2 4.16Å; M2410-L2413 PolarHBondContact O-N 3.15Å; M2410-L2413 HydrophobicContact SD-CD2 4.28Å; M2410-E2414 VanDerWaalsContact O-CB 3.31Å; M2410-E2414 WeakPolarHBondContact O-CB 3.29Å; M2410-E2414 PolarHBondContact O-N 3.24Å |
| 2411 | D | 91.2 | Very high | 91.5 | Very high | 124.2 Ų | 124.2 | 43.5 Ų | 43.5 | 66% | 0.664 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -69.4 | -41 | -179.6 | -60 | -32.3 | 0 | 0 | 0 | 110 | D2409 E2414 S2415 | D2409-D2411 PolarHBondContact OD1-N 3.15Å; D2409-D2411 VanDerWaalsContact OD1-N 3.09Å; D2411-E2414 PolarHBondContact O-N 3.1Å; D2411-S2415 WeakPolarHBondContact O-CB 3.42Å; D2411-S2415 PolarHBondContact O-N 3.06Å |
| 2412 | T | 91.7 | Very high | 91.6 | Very high | 54.8 Ų | 54.8 | 45 Ų | 45 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -45 | 172.1 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | D2409 S2415 L2416 | D2409-T2412 VanDerWaalsContact CG-OG1 3.29Å; D2409-T2412 PolarHBondContact OD1-N 3.09Å; D2409-T2412 WeakPolarHBondContact OD2-CB 3.37Å; D2409-T2412 PolarHBondContact OD2-OG1 3.18Å; T2412-S2415 PolarHBondContact O-N 3.12Å; T2412-L2416 HydrophobicContact CG2-CD1 4.16Å; T2412-L2416 HydrophobicContact CG2-CG 4.49Å; T2412-L2416 VanDerWaalsContact O-CG 3.31Å; T2412-L2416 WeakPolarHBondContact O-CG 3.34Å; T2412-L2416 PolarHBondContact O-N 3.01Å |
| 2413 | L | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 178.7 | 178.5 | 58.4 | 0 | 0 | 0 | 112 | F2285 M2286 Y2321 V2333 V2402 D2409 M2410 S2415 L2416 I2417 | F2285-L2413 HydrophobicContact CE2-CD1 4.33Å; M2286-L2413 HydrophobicContact CE-CD1 3.59Å; M2286-L2413 HydrophobicContact SD-CD1 4.46Å; Y2321-L2413 HydrophobicContact CD1-CD1 3.8Å; Y2321-L2413 HydrophobicContact CD1-CD2 3.98Å; Y2321-L2413 HydrophobicContact CD1-CG 4.33Å; Y2321-L2413 HydrophobicContact CD2-CD1 4.1Å; Y2321-L2413 HydrophobicContact CE1-CB 4.07Å; Y2321-L2413 HydrophobicContact CE1-CD1 3.91Å; Y2321-L2413 HydrophobicContact CE1-CD2 4.31Å; Y2321-L2413 HydrophobicContact CE1-CG 4.31Å; Y2321-L2413 HydrophobicContact CE2-CD1 4.23Å; Y2321-L2413 HydrophobicContact CG-CD1 3.87Å; V2333-L2413 HydrophobicContact CG2-CD2 4.32Å; V2402-L2413 HydrophobicContact CG1-CD2 4.04Å; V2402-L2413 HydrophobicContact CG2-CD2 4.19Å; D2409-L2413 PolarHBondContact O-N 3.13Å; D2409-L2413 VanDerWaalsContact O-N 3.16Å; M2410-L2413 HydrophobicContact CE-CD2 4.16Å; M2410-L2413 PolarHBondContact O-N 3.15Å; M2410-L2413 HydrophobicContact SD-CD2 4.28Å; L2413-S2415 VanDerWaalsContact C-N 3.33Å; L2413-S2415 PolarHBondContact O-N 3.3Å; L2413-L2416 PolarHBondContact O-N 3.18Å; L2413-I2417 HydrophobicContact CD1-CD1 3.88Å; L2413-I2417 HydrophobicContact CD1-CG1 4.13Å; L2413-I2417 HydrophobicContact CG-CD1 3.88Å; L2413-I2417 VanDerWaalsContact O-CG1 3.32Å; L2413-I2417 WeakPolarHBondContact O-CG1 3.31Å; L2413-I2417 PolarHBondContact O-N 3.06Å |
| 2414 | E | 94 | Very high | 91.8 | Very high | 56.8 Ų | 56.8 | 47.3 Ų | 47.3 | 27% | 0.265 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 176.2 | -174.5 | -179.3 | 147.9 | 0 | 0 | 110.9 | L2259 F2261 C2377 M2410 D2411 L2416 I2417 L2418 | L2259-E2414 HydrophobicContact CD1-CB 4.48Å; F2261-E2414 HydrophobicContact CE1-CG 4.12Å; F2261-E2414 HydrophobicContact CZ-CG 3.88Å; C2377-E2414 WeakPolarHBondContact CB-OE1 3.31Å; C2377-E2414 PolarHBondContact SG-OE1 3.15Å; M2410-E2414 VanDerWaalsContact O-CB 3.31Å; M2410-E2414 WeakPolarHBondContact O-CB 3.29Å; M2410-E2414 PolarHBondContact O-N 3.24Å; D2411-E2414 PolarHBondContact O-N 3.1Å; E2414-L2416 PolarHBondContact O-N 3.14Å; E2414-I2417 PolarHBondContact O-N 3.03Å; E2414-L2418 VanDerWaalsContact O-CB 3.3Å; E2414-L2418 WeakPolarHBondContact O-CB 3.26Å; E2414-L2418 PolarHBondContact O-N 2.99Å |
| 2415 | S | 92.9 | Very high | 91.9 | Very high | 68.4 Ų | 68.4 | 42 Ų | 42 | 48% | 0.478 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 177.2 | -172 | 0 | 0 | 0 | 0 | 112.8 | D2411 T2412 L2413 T2419 | D2411-S2415 WeakPolarHBondContact O-CB 3.42Å; D2411-S2415 PolarHBondContact O-N 3.06Å; T2412-S2415 PolarHBondContact O-N 3.12Å; L2413-S2415 VanDerWaalsContact C-N 3.33Å; L2413-S2415 PolarHBondContact O-N 3.3Å; S2415-T2419 VanDerWaalsContact O-CB 3.32Å; S2415-T2419 WeakPolarHBondContact O-CB 3.33Å; S2415-T2419 PolarHBondContact O-N 3.12Å; S2415-T2419 PolarHBondContact O-OG1 3.06Å |
| 2416 | L | 94.3 | Very high | 92.1 | Very high | 58.8 Ų | 58.8 | 39.2 Ų | 39.2 | 31% | 0.308 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65 | -44 | 176.6 | -72.2 | 172.9 | 0 | 0 | 0 | 111.9 | F2285 Y2321 T2412 L2413 E2414 T2419 A2420 | F2285-L2416 HydrophobicContact CD2-CB 4.3Å; F2285-L2416 HydrophobicContact CD2-CD1 4.02Å; F2285-L2416 HydrophobicContact CE1-CB 4.26Å; F2285-L2416 HydrophobicContact CE2-CB 3.78Å; F2285-L2416 HydrophobicContact CE2-CD1 4.25Å; F2285-L2416 HydrophobicContact CE2-CG 4.49Å; F2285-L2416 HydrophobicContact CG-CD1 4.46Å; F2285-L2416 HydrophobicContact CZ-CB 3.76Å; Y2321-L2416 HydrophobicContact CE2-CD1 4.14Å; T2412-L2416 HydrophobicContact CG2-CD1 4.16Å; T2412-L2416 HydrophobicContact CG2-CG 4.49Å; T2412-L2416 VanDerWaalsContact O-CG 3.31Å; T2412-L2416 WeakPolarHBondContact O-CG 3.34Å; T2412-L2416 PolarHBondContact O-N 3.01Å; L2413-L2416 PolarHBondContact O-N 3.18Å; E2414-L2416 PolarHBondContact O-N 3.14Å; L2416-T2419 PolarHBondContact O-N 3.12Å; L2416-A2420 WeakPolarHBondContact O-CB 3.25Å; L2416-A2420 PolarHBondContact O-N 3.02Å |
| 2417 | I | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -47 | 177.2 | -68.4 | 168.9 | 0 | 0 | 0 | 110.6 | L2259 F2261 L2282 F2285 M2286 F2400 L2413 E2414 T2419 A2420 I2421 | L2259-I2417 HydrophobicContact CD1-CD1 4Å; F2261-I2417 HydrophobicContact CD2-CG2 4.06Å; F2261-I2417 HydrophobicContact CE2-CB 4.25Å; F2261-I2417 HydrophobicContact CE2-CG2 3.44Å; F2261-I2417 VanDerWaalsContact CE2-CG2 3.44Å; F2261-I2417 HydrophobicContact CZ-CB 4.13Å; F2261-I2417 HydrophobicContact CZ-CG2 3.75Å; L2282-I2417 HydrophobicContact CD2-CG1 4.3Å; F2285-I2417 HydrophobicContact CZ-CG1 4.48Å; M2286-I2417 HydrophobicContact CE-CD1 4.04Å; M2286-I2417 HydrophobicContact CE-CG1 3.77Å; F2400-I2417 HydrophobicContact CB-CD1 4.29Å; F2400-I2417 HydrophobicContact CD1-CD1 4.08Å; F2400-I2417 HydrophobicContact CD1-CG2 4.31Å; F2400-I2417 HydrophobicContact CD2-CG2 3.71Å; F2400-I2417 HydrophobicContact CE1-CG2 4.03Å; F2400-I2417 HydrophobicContact CE2-CG2 3.39Å; F2400-I2417 HydrophobicContact CG-CD1 4.07Å; F2400-I2417 HydrophobicContact CG-CG2 4.16Å; F2400-I2417 HydrophobicContact CZ-CG2 3.55Å; L2413-I2417 HydrophobicContact CD1-CD1 3.88Å; L2413-I2417 HydrophobicContact CD1-CG1 4.13Å; L2413-I2417 HydrophobicContact CG-CD1 3.88Å; L2413-I2417 VanDerWaalsContact O-CG1 3.32Å; L2413-I2417 WeakPolarHBondContact O-CG1 3.31Å; L2413-I2417 PolarHBondContact O-N 3.06Å; E2414-I2417 PolarHBondContact O-N 3.03Å; I2417-T2419 VanDerWaalsContact C-N 3.26Å; I2417-T2419 PolarHBondContact O-N 3.07Å; I2417-A2420 WeakPolarHBondContact O-CB 3.33Å; I2417-A2420 PolarHBondContact O-N 3.01Å; I2417-A2420 VanDerWaalsContact O-N 3.07Å; I2417-I2421 HydrophobicContact CG2-CD1 3.99Å; I2417-I2421 HydrophobicContact CG2-CG1 4.48Å; I2417-I2421 WeakPolarHBondContact O-CG1 3.44Å; I2417-I2421 PolarHBondContact O-N 3.24Å |
| 2418 | L | 94.3 | Very high | 92.7 | Very high | 49.4 Ų | 49.4 | 30.1 Ų | 30.1 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.1 | -44.5 | 176.3 | -174.3 | 71.3 | 0 | 0 | 0 | 110.9 | F2261 T2375 E2414 A2420 I2421 C2422 | F2261-L2418 HydrophobicContact CD1-CB 4.49Å; F2261-L2418 HydrophobicContact CD1-CD1 3.65Å; F2261-L2418 HydrophobicContact CE1-CB 3.93Å; F2261-L2418 HydrophobicContact CE1-CD1 3.83Å; F2261-L2418 HydrophobicContact CE1-CG 4.48Å; T2375-L2418 HydrophobicContact CG2-CD1 3.55Å; T2375-L2418 HydrophobicContact CG2-CG 4.35Å; E2414-L2418 VanDerWaalsContact O-CB 3.3Å; E2414-L2418 WeakPolarHBondContact O-CB 3.26Å; E2414-L2418 PolarHBondContact O-N 2.99Å; L2418-A2420 PolarHBondContact O-N 3.06Å; L2418-I2421 PolarHBondContact O-N 3.01Å; L2418-C2422 PolarHBondContact O-N 3.08Å; L2418-C2422 PolarHBondContact O-SG 3.12Å; L2418-C2422 VanDerWaalsContact O-SG 3.34Å |
| 2419 | T | 93.4 | Very high | 92.7 | Very high | 46.6 Ų | 46.6 | 29.6 Ų | 29.6 | 29% | 0.286 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | S2415 L2416 I2417 I2421 C2422 R2423 | S2415-T2419 VanDerWaalsContact O-CB 3.32Å; S2415-T2419 WeakPolarHBondContact O-CB 3.33Å; S2415-T2419 PolarHBondContact O-N 3.12Å; S2415-T2419 PolarHBondContact O-OG1 3.06Å; L2416-T2419 PolarHBondContact O-N 3.12Å; I2417-T2419 VanDerWaalsContact C-N 3.26Å; I2417-T2419 PolarHBondContact O-N 3.07Å; T2419-I2421 VanDerWaalsContact C-N 3.35Å; T2419-I2421 PolarHBondContact O-N 2.99Å; T2419-C2422 PolarHBondContact O-N 3.2Å; T2419-R2423 VanDerWaalsContact CG2-CZ 3.46Å; T2419-R2423 WeakPolarHBondContact O-CB 3.3Å; T2419-R2423 WeakPolarHBondContact O-CD 3.23Å; T2419-R2423 VanDerWaalsContact O-CG 3.24Å; T2419-R2423 WeakPolarHBondContact O-CG 3.34Å; T2419-R2423 PolarHBondContact O-N 3.11Å |
| 2420 | A | 95.1 | Very high | 92.8 | Very high | 1.2 Ų | 1.2 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.2 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2278 H2281 L2282 F2285 L2416 I2417 L2418 R2423 A2424 | L2278-A2420 HydrophobicContact CD1-CB 4.12Å; H2281-A2420 HydrophobicContact CB-CB 3.87Å; L2282-A2420 HydrophobicContact CD2-CB 3.71Å; L2282-A2420 HydrophobicContact CG-CB 4.27Å; F2285-A2420 HydrophobicContact CE1-CB 4.24Å; F2285-A2420 HydrophobicContact CZ-CB 4.45Å; L2416-A2420 WeakPolarHBondContact O-CB 3.25Å; L2416-A2420 PolarHBondContact O-N 3.02Å; I2417-A2420 WeakPolarHBondContact O-CB 3.33Å; I2417-A2420 PolarHBondContact O-N 3.01Å; I2417-A2420 VanDerWaalsContact O-N 3.07Å; L2418-A2420 PolarHBondContact O-N 3.06Å; A2420-R2423 PolarHBondContact O-N 2.98Å; A2420-A2424 WeakPolarHBondContact O-CB 3.33Å; A2420-A2424 PolarHBondContact O-N 3.12Å |
| 2421 | I | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -49.9 | 174.5 | -67.8 | 168.8 | 0 | 0 | 0 | 110.8 | F2261 L2263 F2274 L2278 T2375 A2398 F2400 I2417 L2418 T2419 R2423 A2424 C2425 | F2261-I2421 HydrophobicContact CB-CD1 3.48Å; F2261-I2421 VanDerWaalsContact CB-CD1 3.48Å; F2261-I2421 HydrophobicContact CD1-CD1 3.99Å; F2261-I2421 HydrophobicContact CD2-CD1 3.71Å; F2261-I2421 HydrophobicContact CE2-CD1 4.42Å; F2261-I2421 HydrophobicContact CG-CD1 3.44Å; F2261-I2421 VanDerWaalsContact CG-CD1 3.44Å; L2263-I2421 HydrophobicContact CD2-CG2 4.07Å; F2274-I2421 HydrophobicContact CE2-CG2 4.47Å; F2274-I2421 HydrophobicContact CZ-CG2 4.04Å; L2278-I2421 HydrophobicContact CD1-CG1 3.79Å; L2278-I2421 HydrophobicContact CD2-CG1 4.44Å; T2375-I2421 HydrophobicContact CG2-CB 4.17Å; T2375-I2421 HydrophobicContact CG2-CG2 3.58Å; A2398-I2421 HydrophobicContact CB-CD1 4.42Å; F2400-I2421 HydrophobicContact CE2-CD1 4.07Å; I2417-I2421 HydrophobicContact CG2-CD1 3.99Å; I2417-I2421 HydrophobicContact CG2-CG1 4.48Å; I2417-I2421 WeakPolarHBondContact O-CG1 3.44Å; I2417-I2421 PolarHBondContact O-N 3.24Å; L2418-I2421 PolarHBondContact O-N 3.01Å; T2419-I2421 VanDerWaalsContact C-N 3.35Å; T2419-I2421 PolarHBondContact O-N 2.99Å; I2421-R2423 VanDerWaalsContact C-N 3.26Å; I2421-R2423 PolarHBondContact O-N 3.1Å; I2421-A2424 PolarHBondContact O-N 3Å; I2421-A2424 VanDerWaalsContact O-N 3.16Å; I2421-C2425 PolarHBondContact O-N 2.94Å; I2421-C2425 PolarHBondContact O-SG 3.41Å; I2421-C2425 VanDerWaalsContact O-SG 3.35Å |
| 2422 | C | 93.8 | Very high | 92.2 | Very high | 32.4 Ų | 32.4 | 20.6 Ų | 20.6 | 22% | 0.219 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -55.5 | -43.3 | 176.5 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | I2373 T2375 L2418 T2419 C2425 F2426 | I2373-C2422 PolarHBondContact O-SG 3.21Å; T2375-C2422 WeakPolarHBondContact CG2-SG 3.29Å; L2418-C2422 PolarHBondContact O-N 3.08Å; L2418-C2422 PolarHBondContact O-SG 3.12Å; L2418-C2422 VanDerWaalsContact O-SG 3.34Å; T2419-C2422 PolarHBondContact O-N 3.2Å; C2422-C2425 PolarHBondContact O-N 3.21Å; C2422-F2426 WeakPolarHBondContact O-CB 3.35Å; C2422-F2426 PolarHBondContact O-N 2.9Å |
| 2423 | R | 94 | Very high | 91.7 | Very high | 54.8 Ų | 54.8 | 18 Ų | 18 | 21% | 0.207 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.2 | -39.6 | 178.4 | -71.7 | 172 | 175.6 | 164.5 | 2.6 | 112.6 | T2419 A2420 I2421 F2426 D2427 N2551 C2552 | T2419-R2423 VanDerWaalsContact CG2-CZ 3.46Å; T2419-R2423 WeakPolarHBondContact O-CB 3.3Å; T2419-R2423 WeakPolarHBondContact O-CD 3.23Å; T2419-R2423 VanDerWaalsContact O-CG 3.24Å; T2419-R2423 WeakPolarHBondContact O-CG 3.34Å; T2419-R2423 PolarHBondContact O-N 3.11Å; A2420-R2423 PolarHBondContact O-N 2.98Å; I2421-R2423 VanDerWaalsContact C-N 3.26Å; I2421-R2423 PolarHBondContact O-N 3.1Å; R2423-F2426 WeakPolarHBondContact O-CB 3.35Å; R2423-F2426 PolarHBondContact O-N 3.19Å; R2423-D2427 WeakPolarHBondContact O-CB 3.49Å; R2423-D2427 PolarHBondContact O-N 3.16Å; R2423-N2551 PolarHBondContact NE-O 3.05Å; R2423-N2551 VanDerWaalsContact NE-O 3.14Å; R2423-N2551 PolarHBondContact NH2-O 3.25Å; R2423-N2551 VanDerWaalsContact NH2-O 3.08Å; R2423-C2552 HydrophobicContact CG-CB 4.48Å |
| 2424 | A | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.9 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F2274 L2278 A2420 I2421 D2427 M2428 | F2274-A2424 HydrophobicContact CD2-CB 4.01Å; F2274-A2424 HydrophobicContact CE2-CB 3.62Å; F2274-A2424 HydrophobicContact CZ-CB 4.39Å; L2278-A2424 HydrophobicContact CB-CB 3.89Å; L2278-A2424 HydrophobicContact CD1-CB 4.43Å; A2420-A2424 WeakPolarHBondContact O-CB 3.33Å; A2420-A2424 PolarHBondContact O-N 3.12Å; I2421-A2424 PolarHBondContact O-N 3Å; I2421-A2424 VanDerWaalsContact O-N 3.16Å; A2424-D2427 PolarHBondContact O-N 3.23Å; A2424-M2428 VanDerWaalsContact O-CB 3.28Å; A2424-M2428 WeakPolarHBondContact O-CB 3.22Å; A2424-M2428 PolarHBondContact O-N 2.97Å |
| 2425 | C | 92.5 | Very high | 91 | Very high | 1.6 Ų | 1.6 | 15.4 Ų | 15.4 | 1% | 0.011 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 172.1 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | P2264 F2274 I2373 I2421 C2422 D2427 M2428 A2429 | P2264-C2425 HydrophobicContact CG-CB 4.41Å; P2264-C2425 VanDerWaalsContact CG-SG 3.56Å; F2274-C2425 VanDerWaalsContact CE2-SG 3.55Å; I2373-C2425 HydrophobicContact CB-CB 4.24Å; I2373-C2425 HydrophobicContact CG2-CB 4.1Å; I2421-C2425 PolarHBondContact O-N 2.94Å; I2421-C2425 PolarHBondContact O-SG 3.41Å; I2421-C2425 VanDerWaalsContact O-SG 3.35Å; C2422-C2425 PolarHBondContact O-N 3.21Å; C2425-D2427 PolarHBondContact O-N 2.89Å; C2425-M2428 PolarHBondContact O-N 3.22Å; C2425-A2429 WeakPolarHBondContact O-CB 3.23Å; C2425-A2429 PolarHBondContact O-N 3.14Å |
| 2426 | F | 93.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 175.8 | 178.5 | -88.5 | 0 | 0 | 0 | 111.6 | I2373 C2422 R2423 M2428 A2429 T2430 W2543 L2544 C2552 V2555 Y2712 | I2373-F2426 HydrophobicContact CG2-CB 4.07Å; C2422-F2426 WeakPolarHBondContact O-CB 3.35Å; C2422-F2426 PolarHBondContact O-N 2.9Å; R2423-F2426 WeakPolarHBondContact O-CB 3.35Å; R2423-F2426 PolarHBondContact O-N 3.19Å; F2426-M2428 VanDerWaalsContact C-N 3.33Å; F2426-M2428 PolarHBondContact O-N 3.18Å; F2426-A2429 PolarHBondContact O-N 3.01Å; F2426-T2430 WeakPolarHBondContact CE1-OG1 3.35Å; F2426-T2430 WeakPolarHBondContact O-CB 3.37Å; F2426-T2430 PolarHBondContact O-N 3.1Å; F2426-T2430 PolarHBondContact O-OG1 3.16Å; F2426-W2543 HydrophobicContact CB-CZ2 4.48Å; F2426-W2543 HydrophobicContact CD2-CD2 4.48Å; F2426-W2543 AromaticContact CD2-CE2 3.69Å; F2426-W2543 AromaticContact CD2-CH2 3.74Å; F2426-W2543 HydrophobicContact CD2-CH2 3.74Å; F2426-W2543 AromaticContact CD2-CZ2 3.27Å; F2426-W2543 HydrophobicContact CD2-CZ2 3.27Å; F2426-W2543 HydrophobicContact CD2-CZ3 4.47Å; F2426-W2543 AromaticContact CE2-CD2 3.9Å; F2426-W2543 HydrophobicContact CE2-CD2 3.9Å; F2426-W2543 AromaticContact CE2-CE2 3.31Å; F2426-W2543 HydrophobicContact CE2-CE3 4.47Å; F2426-W2543 HydrophobicContact CE2-CG 4.37Å; F2426-W2543 HydrophobicContact CE2-CH2 4.13Å; F2426-W2543 AromaticContact CE2-CZ2 3.45Å; F2426-W2543 HydrophobicContact CE2-CZ2 3.45Å; F2426-W2543 VanDerWaalsContact CE2-CZ2 3.45Å; F2426-W2543 AromaticContact CE2-NE1 3.45Å; F2426-W2543 AromaticContact CG-CZ2 3.97Å; F2426-W2543 HydrophobicContact CG-CZ2 3.97Å; F2426-W2543 AromaticContact CZ-CE2 3.9Å; F2426-W2543 HydrophobicContact CZ-CZ2 4.27Å; F2426-W2543 AromaticContact CZ-NE1 3.52Å; F2426-L2544 HydrophobicContact CZ-CD2 4.37Å; F2426-C2552 HydrophobicContact CD1-CB 4.05Å; F2426-C2552 HydrophobicContact CE1-CB 4.35Å; F2426-C2552 HydrophobicContact CG-CB 4.33Å; F2426-C2552 VanDerWaalsContact CG-SG 3.58Å; F2426-V2555 HydrophobicContact CE1-CG2 3.45Å; F2426-V2555 VanDerWaalsContact CE1-CG2 3.45Å; F2426-V2555 HydrophobicContact CZ-CG2 3.71Å; F2426-Y2712 HydrophobicContact CE1-CD2 4.49Å; F2426-Y2712 HydrophobicContact CE1-CE2 4.35Å |
| 2427 | D | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 178.7 | -78.7 | -10.6 | 0 | 0 | 0 | 111.4 | Y2277 H2281 R2423 A2424 C2425 T2430 E2431 S2554 R2694 Y2712 | Y2277-D2427 HydrophobicContact CD2-CB 4.27Å; Y2277-D2427 HydrophobicContact CG-CB 4.27Å; H2281-D2427 IonicContact CD2-OD2 3.34Å; H2281-D2427 IonicContact CE1-OD2 3.13Å; H2281-D2427 PolarHBondContact CE1-OD2 2.99Å; H2281-D2427 VanDerWaalsContact CE1-OD2 3.23Å; H2281-D2427 IonicContact NE2-OD2 3.42Å; H2281-D2427 PolarHBondContact NE2-OD2 3.02Å; R2423-D2427 WeakPolarHBondContact O-CB 3.49Å; R2423-D2427 PolarHBondContact O-N 3.16Å; A2424-D2427 PolarHBondContact O-N 3.23Å; C2425-D2427 PolarHBondContact O-N 2.89Å; D2427-T2430 WeakPolarHBondContact O-CB 3.28Å; D2427-T2430 PolarHBondContact O-N 3.09Å; D2427-E2431 WeakPolarHBondContact O-CB 3.37Å; D2427-E2431 VanDerWaalsContact O-CG 3.3Å; D2427-E2431 WeakPolarHBondContact O-CG 3.32Å; D2427-E2431 PolarHBondContact O-N 3.14Å; D2427-S2554 VanDerWaalsContact CG-OG 3.27Å; D2427-S2554 WeakPolarHBondContact OD1-CB 3.39Å; D2427-S2554 PolarHBondContact OD1-OG 3.09Å; D2427-S2554 VanDerWaalsContact OD1-OG 3.07Å; D2427-S2554 PolarHBondContact OD2-OG 3.21Å; D2427-R2694 VanDerWaalsContact CG-NH1 3.33Å; D2427-R2694 IonicContact OD1-CZ 3.4Å; D2427-R2694 IonicContact OD1-NH1 3.26Å; D2427-R2694 IonicContact OD1-NH2 3.47Å; D2427-R2694 PolarHBondContact OD1-NH2 3.23Å; D2427-R2694 IonicContact OD2-CZ 3.22Å; D2427-R2694 IonicContact OD2-NH1 3.27Å; D2427-R2694 PolarHBondContact OD2-NH1 3.13Å; D2427-R2694 IonicContact OD2-NH2 3.71Å; D2427-R2694 PolarHBondContact OD2-NH2 3.22Å; D2427-R2694 VanDerWaalsContact OD2-NH2 3.14Å; D2427-Y2712 VanDerWaalsContact CG-OH 3.24Å; D2427-Y2712 VanDerWaalsContact OD1-CE2 3.28Å; D2427-Y2712 WeakPolarHBondContact OD1-CE2 3.33Å; D2427-Y2712 PolarHBondContact OD1-OH 2.77Å |
| 2428 | M | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 175 | -178.8 | -151.2 | -60.7 | 0 | 0 | 112.5 | V2266 A2267 H2270 F2274 Y2277 A2424 C2425 F2426 T2430 E2431 Y2432 | V2266-M2428 VanDerWaalsContact C-SD 3.54Å; V2266-M2428 HydrophobicContact CB-CE 4.44Å; V2266-M2428 HydrophobicContact CB-SD 4.41Å; V2266-M2428 HydrophobicContact CG1-CE 3.9Å; V2266-M2428 HydrophobicContact CG1-CG 4.36Å; V2266-M2428 HydrophobicContact CG1-SD 3.53Å; V2266-M2428 WeakPolarHBondContact CG1-SD 3.43Å; V2266-M2428 VanDerWaalsContact O-SD 3.35Å; A2267-M2428 VanDerWaalsContact CA-CE 3.44Å; A2267-M2428 VanDerWaalsContact CA-SD 3.54Å; A2267-M2428 HydrophobicContact CB-CE 3.88Å; A2267-M2428 VanDerWaalsContact CB-CE 3.47Å; A2267-M2428 HydrophobicContact CB-SD 4.35Å; H2270-M2428 HydrophobicContact CB-CE 3.68Å; H2270-M2428 HydrophobicContact CB-CG 4.18Å; H2270-M2428 HydrophobicContact CB-SD 3.77Å; H2270-M2428 WeakPolarHBondContact O-CE 3.43Å; F2274-M2428 VanDerWaalsContact CA-CE 3.46Å; F2274-M2428 HydrophobicContact CB-CE 3.57Å; F2274-M2428 HydrophobicContact CD2-CE 3.75Å; F2274-M2428 HydrophobicContact CE2-CE 4.29Å; F2274-M2428 HydrophobicContact CG-CE 3.82Å; Y2277-M2428 HydrophobicContact CD2-CB 3.99Å; Y2277-M2428 HydrophobicContact CE2-CB 4.07Å; Y2277-M2428 HydrophobicContact CE2-CG 4.38Å; A2424-M2428 VanDerWaalsContact O-CB 3.28Å; A2424-M2428 WeakPolarHBondContact O-CB 3.22Å; A2424-M2428 PolarHBondContact O-N 2.97Å; C2425-M2428 PolarHBondContact O-N 3.22Å; F2426-M2428 VanDerWaalsContact C-N 3.33Å; F2426-M2428 PolarHBondContact O-N 3.18Å; M2428-T2430 PolarHBondContact O-N 3.18Å; M2428-E2431 PolarHBondContact O-N 2.92Å; M2428-Y2432 HydrophobicContact CG-CD2 4.04Å; M2428-Y2432 WeakPolarHBondContact O-CB 3.35Å; M2428-Y2432 PolarHBondContact O-N 2.95Å |
| 2429 | A | 87.9 | Confident | 88 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.3 | -28.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C2425 F2426 G2433 L2434 W2543 | C2425-A2429 WeakPolarHBondContact O-CB 3.23Å; C2425-A2429 PolarHBondContact O-N 3.14Å; F2426-A2429 PolarHBondContact O-N 3.01Å; A2429-G2433 WeakPolarHBondContact O-CA 3.2Å; A2429-G2433 PolarHBondContact O-N 3.03Å; A2429-L2434 PolarHBondContact O-N 2.97Å; A2429-L2434 VanDerWaalsContact O-N 3.12Å; A2429-W2543 HydrophobicContact CB-CH2 3.88Å; A2429-W2543 HydrophobicContact CB-CZ2 3.63Å |
| 2430 | T | 90.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | I | π-helix | trans | -71.1 | -53.9 | 173.7 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | F2426 D2427 M2428 L2434 L2435 W2543 Y2712 | F2426-T2430 WeakPolarHBondContact CE1-OG1 3.35Å; F2426-T2430 WeakPolarHBondContact O-CB 3.37Å; F2426-T2430 PolarHBondContact O-N 3.1Å; F2426-T2430 PolarHBondContact O-OG1 3.16Å; D2427-T2430 WeakPolarHBondContact O-CB 3.28Å; D2427-T2430 PolarHBondContact O-N 3.09Å; M2428-T2430 PolarHBondContact O-N 3.18Å; T2430-L2434 HydrophobicContact CG2-CD2 4.41Å; T2430-L2434 WeakPolarHBondContact O-CB 3.39Å; T2430-L2434 PolarHBondContact O-N 2.97Å; T2430-L2434 VanDerWaalsContact O-N 3.12Å; T2430-L2435 HydrophobicContact CG2-CD1 4.17Å; T2430-L2435 HydrophobicContact CG2-CG 4.32Å; T2430-L2435 WeakPolarHBondContact O-CB 3.38Å; T2430-L2435 WeakPolarHBondContact O-CG 3.39Å; T2430-L2435 PolarHBondContact O-N 3.2Å; T2430-W2543 PolarHBondContact OG1-NE1 3.09Å; T2430-Y2712 HydrophobicContact CG2-CD1 4.34Å; T2430-Y2712 HydrophobicContact CG2-CD2 4.13Å; T2430-Y2712 HydrophobicContact CG2-CE1 4.09Å; T2430-Y2712 HydrophobicContact CG2-CE2 3.8Å; T2430-Y2712 HydrophobicContact CG2-CG 4.35Å |
| 2431 | E | 87.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -66.2 | -49.1 | -177 | -69.4 | -68.3 | 167.1 | 0 | 0 | 112 | Y2277 D2427 M2428 L2435 T2436 P2693 R2694 Q2695 Y2712 | Y2277-E2431 HydrophobicContact CE2-CB 4.47Å; Y2277-E2431 HydrophobicContact CE2-CG 4.43Å; Y2277-E2431 WeakPolarHBondContact OH-CG 3.3Å; D2427-E2431 WeakPolarHBondContact O-CB 3.37Å; D2427-E2431 VanDerWaalsContact O-CG 3.3Å; D2427-E2431 WeakPolarHBondContact O-CG 3.32Å; D2427-E2431 PolarHBondContact O-N 3.14Å; M2428-E2431 PolarHBondContact O-N 2.92Å; E2431-L2435 WeakPolarHBondContact O-CB 3.36Å; E2431-L2435 WeakPolarHBondContact OE2-CD1 3.36Å; E2431-T2436 WeakPolarHBondContact O-CG2 3.39Å; E2431-P2693 HydrophobicContact CB-CG 4.39Å; E2431-R2694 WeakPolarHBondContact OE1-CA 3.36Å; E2431-R2694 IonicContact OE1-CZ 3.16Å; E2431-R2694 IonicContact OE1-NE 2.68Å; E2431-R2694 IonicContact OE1-NH1 2.75Å; E2431-R2694 PolarHBondContact OE1-NH1 3.41Å; E2431-Q2695 PolarHBondContact OE1-N 3.18Å; E2431-Q2695 WeakPolarHBondContact OE2-CG 3.31Å; E2431-Q2695 PolarHBondContact OE2-N 3.18Å; E2431-Q2695 PolarHBondContact OE2-NE2 3.19Å; E2431-Y2712 WeakPolarHBondContact CG-OH 3.26Å; E2431-Y2712 VanDerWaalsContact OE1-CE1 3.24Å; E2431-Y2712 WeakPolarHBondContact OE1-CE1 3.41Å; E2431-Y2712 PolarHBondContact OE1-OH 2.83Å |
| 2432 | Y | 81.3 | Confident | 84.6 | Confident | 8.4 Ų | 8.4 | 17.3 Ų | 17.3 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -91.4 | -18.4 | -175.7 | -69.1 | -82.4 | 0 | 0 | 0 | 112.9 | P2273 Y2277 Y2359 F2362 M2428 T2436 A2650 P2693 | P2273-Y2432 HydrophobicContact CB-CD2 4.49Å; P2273-Y2432 HydrophobicContact CB-CE2 3.45Å; P2273-Y2432 VanDerWaalsContact CB-CE2 3.45Å; P2273-Y2432 WeakPolarHBondContact CB-OH 3.34Å; P2273-Y2432 HydrophobicContact CG-CD2 4.37Å; P2273-Y2432 HydrophobicContact CG-CE2 3.73Å; P2273-Y2432 WeakPolarHBondContact CG-OH 3.24Å; Y2277-Y2432 HydrophobicContact CE2-CD2 4.39Å; Y2277-Y2432 AromaticContact CE2-CE2 3.93Å; Y2277-Y2432 HydrophobicContact CE2-CE2 4.02Å; Y2277-Y2432 WeakPolarHBondContact OH-CE2 3.38Å; Y2359-Y2432 WeakPolarHBondContact CB-O 3.4Å; Y2359-Y2432 HydrophobicContact CD1-CD1 4.26Å; Y2359-Y2432 HydrophobicContact CD1-CG 4.42Å; Y2359-Y2432 WeakPolarHBondContact CD1-O 3.42Å; Y2359-Y2432 HydrophobicContact CD2-CD1 4.44Å; Y2359-Y2432 WeakPolarHBondContact CD2-O 3.42Å; Y2359-Y2432 AromaticContact CE1-CD1 3.59Å; Y2359-Y2432 HydrophobicContact CE1-CD1 3.78Å; Y2359-Y2432 VanDerWaalsContact CE1-CD1 3.47Å; Y2359-Y2432 HydrophobicContact CE1-CE1 4.36Å; Y2359-Y2432 AromaticContact CE1-CG 3.98Å; Y2359-Y2432 HydrophobicContact CE1-CG 4.22Å; Y2359-Y2432 AromaticContact CE2-CD1 3.77Å; Y2359-Y2432 HydrophobicContact CE2-CD1 3.95Å; Y2359-Y2432 HydrophobicContact CE2-CE1 4.45Å; Y2359-Y2432 VanDerWaalsContact CG-O 3.24Å; Y2359-Y2432 AromaticContact CZ-CD1 3.63Å; Y2359-Y2432 AromaticContact CZ-CE1 3.75Å; Y2359-Y2432 VanDerWaalsContact OH-CD1 3.31Å; Y2359-Y2432 WeakPolarHBondContact OH-CD1 3.44Å; Y2359-Y2432 WeakPolarHBondContact OH-CE1 3.12Å; F2362-Y2432 WeakPolarHBondContact CD2-O 3.49Å; F2362-Y2432 VanDerWaalsContact CE2-O 3.26Å; F2362-Y2432 WeakPolarHBondContact CE2-O 3.38Å; M2428-Y2432 HydrophobicContact CG-CD2 4.04Å; M2428-Y2432 WeakPolarHBondContact O-CB 3.35Å; M2428-Y2432 PolarHBondContact O-N 2.95Å; Y2432-T2436 WeakPolarHBondContact O-CB 3.43Å; Y2432-T2436 VanDerWaalsContact O-CG2 3.31Å; Y2432-T2436 WeakPolarHBondContact O-CG2 3.16Å; Y2432-T2436 PolarHBondContact O-OG1 3.24Å; Y2432-A2650 HydrophobicContact CE1-CB 4.2Å; Y2432-P2693 HydrophobicContact CE1-CG 4.41Å; Y2432-P2693 HydrophobicContact CE2-CG 4.42Å; Y2432-P2693 WeakPolarHBondContact OH-CD 3.41Å |
| 2433 | G | 82.1 | Confident | 82.9 | Confident | 0.2 Ų | 0.2 | 17.7 Ų | 17.7 | 0% | 0.002 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -100 | -65.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A2429 L2435 T2436 A2437 | A2429-G2433 WeakPolarHBondContact O-CA 3.2Å; A2429-G2433 PolarHBondContact O-N 3.03Å; G2433-L2435 PolarHBondContact O-N 2.76Å; G2433-T2436 PolarHBondContact O-N 2.93Å; G2433-T2436 PolarHBondContact O-OG1 2.94Å; G2433-A2437 PolarHBondContact O-N 3.02Å; G2433-A2437 VanDerWaalsContact O-N 3.08Å |
| 2434 | L | 86 | Confident | 80.9 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -72.3 | -48.5 | -171.6 | 174.4 | 60.6 | 0 | 0 | 0 | 111 | F2363 A2429 T2430 T2436 A2437 V2535 Y2536 A2540 L2697 | F2363-L2434 HydrophobicContact CE2-CB 4.02Å; A2429-L2434 PolarHBondContact O-N 2.97Å; A2429-L2434 VanDerWaalsContact O-N 3.12Å; T2430-L2434 HydrophobicContact CG2-CD2 4.41Å; T2430-L2434 WeakPolarHBondContact O-CB 3.39Å; T2430-L2434 PolarHBondContact O-N 2.97Å; T2430-L2434 VanDerWaalsContact O-N 3.12Å; L2434-T2436 VanDerWaalsContact C-N 3.27Å; L2434-T2436 PolarHBondContact O-N 2.92Å; L2434-A2437 VanDerWaalsContact O-CB 3.31Å; L2434-A2437 WeakPolarHBondContact O-CB 3.35Å; L2434-A2437 PolarHBondContact O-N 3.13Å; L2434-A2437 VanDerWaalsContact O-N 3.13Å; L2434-V2535 HydrophobicContact CD1-CG1 3.79Å; L2434-Y2536 HydrophobicContact CD1-CD1 4.09Å; L2434-Y2536 HydrophobicContact CD1-CD2 3.74Å; L2434-Y2536 HydrophobicContact CD1-CE1 3.95Å; L2434-Y2536 HydrophobicContact CD1-CE2 3.74Å; L2434-Y2536 HydrophobicContact CD1-CG 4.43Å; L2434-Y2536 HydrophobicContact CG-CD2 4.34Å; L2434-Y2536 HydrophobicContact CG-CE1 4.42Å; L2434-Y2536 HydrophobicContact CG-CE2 3.88Å; L2434-Y2536 VanDerWaalsContact O-CD2 3.31Å; L2434-Y2536 WeakPolarHBondContact O-CD2 3.39Å; L2434-Y2536 VanDerWaalsContact O-CE2 3.27Å; L2434-Y2536 WeakPolarHBondContact O-CE2 3.27Å; L2434-Y2536 PolarHBondContact O-OH 3.09Å; L2434-Y2536 VanDerWaalsContact O-OH 3.1Å; L2434-A2540 HydrophobicContact CD1-CB 3.67Å; L2434-A2540 HydrophobicContact CD2-CB 4.1Å; L2434-L2697 HydrophobicContact CD2-CD2 4.16Å |
| 2435 | L | 86 | Confident | 78.8 | Confident | 0.8 Ų | 0.8 | 24.2 Ų | 24.2 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.7 | -174.7 | -60.9 | 176.2 | 0 | 0 | 0 | 113.4 | T2430 E2431 G2433 L2638 W2643 Q2695 L2697 Y2712 | T2430-L2435 HydrophobicContact CG2-CD1 4.17Å; T2430-L2435 HydrophobicContact CG2-CG 4.32Å; T2430-L2435 WeakPolarHBondContact O-CB 3.38Å; T2430-L2435 WeakPolarHBondContact O-CG 3.39Å; T2430-L2435 PolarHBondContact O-N 3.2Å; E2431-L2435 WeakPolarHBondContact O-CB 3.36Å; E2431-L2435 WeakPolarHBondContact OE2-CD1 3.36Å; G2433-L2435 PolarHBondContact O-N 2.76Å; L2435-L2638 HydrophobicContact CD2-CD2 3.63Å; L2435-L2638 VanDerWaalsContact CD2-CD2 3.5Å; L2435-W2643 PolarHBondContact O-NE1 3.04Å; L2435-Q2695 HydrophobicContact CD1-CB 3.8Å; L2435-Q2695 HydrophobicContact CD1-CG 4.45Å; L2435-L2697 HydrophobicContact CD2-CB 4.13Å; L2435-L2697 HydrophobicContact CD2-CD1 4.49Å; L2435-L2697 HydrophobicContact CD2-CD2 4.09Å; L2435-L2697 HydrophobicContact CD2-CG 4.47Å; L2435-Y2712 HydrophobicContact CD1-CD1 4.22Å; L2435-Y2712 HydrophobicContact CD1-CE1 3.96Å |
| 2436 | T | 78.8 | Confident | 76.7 | Confident | 5.4 Ų | 5.4 | 32 Ų | 32 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 0.5 | 166.4 | 63.6 | 0 | 0 | 0 | 0 | 113 | Y2359 E2431 Y2432 G2433 L2434 T2646 M2647 | Y2359-T2436 WeakPolarHBondContact CB-OG1 3.3Å; Y2359-T2436 HydrophobicContact CD2-CG2 3.97Å; Y2359-T2436 VanDerWaalsContact CD2-OG1 3.31Å; Y2359-T2436 WeakPolarHBondContact CD2-OG1 3.43Å; Y2359-T2436 HydrophobicContact CE2-CG2 4.21Å; E2431-T2436 WeakPolarHBondContact O-CG2 3.39Å; Y2432-T2436 WeakPolarHBondContact O-CB 3.43Å; Y2432-T2436 VanDerWaalsContact O-CG2 3.31Å; Y2432-T2436 WeakPolarHBondContact O-CG2 3.16Å; Y2432-T2436 PolarHBondContact O-OG1 3.24Å; G2433-T2436 PolarHBondContact O-N 2.93Å; G2433-T2436 PolarHBondContact O-OG1 2.94Å; L2434-T2436 VanDerWaalsContact C-N 3.27Å; L2434-T2436 PolarHBondContact O-N 2.92Å; T2436-T2646 HydrophobicContact CG2-CG2 4.31Å; T2436-M2647 WeakPolarHBondContact O-CE 3.37Å; T2436-M2647 VanDerWaalsContact O-SD 3.41Å |
| 2437 | A | 79.3 | Confident | 74 | Confident | 1.6 Ų | 1.6 | 38.7 Ų | 38.7 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -68.7 | 147.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | N2360 G2433 L2434 L2439 V2535 Y2536 W2643 | N2360-A2437 WeakPolarHBondContact OD1-CA 3.13Å; G2433-A2437 PolarHBondContact O-N 3.02Å; G2433-A2437 VanDerWaalsContact O-N 3.08Å; L2434-A2437 VanDerWaalsContact O-CB 3.31Å; L2434-A2437 WeakPolarHBondContact O-CB 3.35Å; L2434-A2437 PolarHBondContact O-N 3.13Å; L2434-A2437 VanDerWaalsContact O-N 3.13Å; A2437-L2439 PolarHBondContact O-N 3.03Å; A2437-L2439 VanDerWaalsContact O-N 3.16Å; A2437-V2535 HydrophobicContact CB-CB 3.69Å; A2437-V2535 HydrophobicContact CB-CG1 3.87Å; A2437-V2535 HydrophobicContact CB-CG2 3.82Å; A2437-Y2536 HydrophobicContact CB-CD2 4.23Å; A2437-Y2536 HydrophobicContact CB-CE2 4.16Å; A2437-W2643 WeakPolarHBondContact O-CZ2 3.41Å |
| 2438 | A | 77.3 | Confident | 71.4 | Confident | 34.8 Ų | 34.8 | 47.3 Ų | 47.3 | 29% | 0.288 | 25% | 0.248 | S | C | . | . | trans | -62.4 | 118.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F2440 G2533 | A2438-F2440 VanDerWaalsContact C-N 3.32Å; A2438-F2440 PolarHBondContact O-N 2.98Å; A2438-G2533 WeakPolarHBondContact O-CA 3.3Å | ||
| 2439 | L | 78.5 | Confident | 68.8 | Low | 0.6 Ų | 0.6 | 55.3 Ų | 55.3 | 0% | 0.003 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -69.1 | -33.6 | 179.5 | -175.7 | 63.2 | 0 | 0 | 0 | 112.1 | A2437 L2532 G2533 Y2536 F2590 V2636 L2638 L2640 W2643 | A2437-L2439 PolarHBondContact O-N 3.03Å; A2437-L2439 VanDerWaalsContact O-N 3.16Å; L2439-L2532 HydrophobicContact CD1-CD1 3.85Å; L2439-L2532 HydrophobicContact CG-CD1 4.26Å; L2439-L2532 CarbonylContact O-C 3.43Å; L2439-L2532 WeakPolarHBondContact O-CA 3.48Å; L2439-L2532 WeakPolarHBondContact O-CD1 3.47Å; L2439-G2533 PolarHBondContact O-N 3.28Å; L2439-Y2536 HydrophobicContact CD1-CD1 4.26Å; L2439-Y2536 HydrophobicContact CD1-CD2 4.05Å; L2439-Y2536 HydrophobicContact CD1-CE1 4.28Å; L2439-Y2536 HydrophobicContact CD1-CE2 4.1Å; L2439-Y2536 HydrophobicContact CD1-CG 4.15Å; L2439-F2590 HydrophobicContact CD2-CD2 4.03Å; L2439-F2590 HydrophobicContact CD2-CE2 4.11Å; L2439-V2636 HydrophobicContact CD1-CB 4.3Å; L2439-V2636 HydrophobicContact CD1-CG1 3.99Å; L2439-V2636 HydrophobicContact CD1-CG2 4.46Å; L2439-L2638 HydrophobicContact CD1-CD1 4.02Å; L2439-L2638 HydrophobicContact CD1-CD2 4.48Å; L2439-L2638 HydrophobicContact CD2-CD1 4.04Å; L2439-L2638 HydrophobicContact CD2-CD2 3.53Å; L2439-L2638 HydrophobicContact CD2-CG 4.36Å; L2439-L2640 HydrophobicContact CD2-CD2 4.49Å; L2439-W2643 HydrophobicContact CB-CH2 4.33Å; L2439-W2643 HydrophobicContact CB-CZ2 4.15Å |
| 2440 | F | 80.2 | Confident | 66.2 | Low | 45.6 Ų | 45.6 | 62.7 Ų | 62.7 | 20% | 0.2 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.8 | -177.1 | -53.7 | -74.8 | 0 | 0 | 0 | 111.6 | A2438 M2522 Q2530 C2531 F2590 F2592 | A2438-F2440 VanDerWaalsContact C-N 3.32Å; A2438-F2440 PolarHBondContact O-N 2.98Å; F2440-M2522 HydrophobicContact CE2-CE 4.32Å; F2440-M2522 HydrophobicContact CZ-CE 4.43Å; F2440-Q2530 HydrophobicContact CB-CB 4.47Å; F2440-Q2530 HydrophobicContact CD1-CB 3.97Å; F2440-Q2530 VanDerWaalsContact CD1-OE1 3.26Å; F2440-Q2530 HydrophobicContact CG-CB 4.49Å; F2440-C2531 CarbonylContact C-O 3.54Å; F2440-C2531 WeakPolarHBondContact CA-O 3.39Å; F2440-F2590 HydrophobicContact CE1-CD1 4.3Å; F2440-F2590 HydrophobicContact CE1-CE1 4.41Å; F2440-F2590 HydrophobicContact CE1-CG 4.47Å; F2440-F2590 HydrophobicContact CE2-CZ 4.4Å; F2440-F2590 AromaticContact CZ-CD1 3.89Å; F2440-F2590 HydrophobicContact CZ-CD1 3.98Å; F2440-F2590 HydrophobicContact CZ-CD2 4.29Å; F2440-F2590 AromaticContact CZ-CE1 3.76Å; F2440-F2590 HydrophobicContact CZ-CE1 3.76Å; F2440-F2590 HydrophobicContact CZ-CE2 4.1Å; F2440-F2590 HydrophobicContact CZ-CG 4.21Å; F2440-F2590 AromaticContact CZ-CZ 3.79Å; F2440-F2590 HydrophobicContact CZ-CZ 3.79Å; F2440-F2592 HydrophobicContact CD1-CE1 4.31Å; F2440-F2592 HydrophobicContact CD1-CZ 4.25Å; F2440-F2592 HydrophobicContact CE1-CE1 4.21Å; F2440-F2592 AromaticContact CE1-CZ 3.77Å; F2440-F2592 HydrophobicContact CE1-CZ 3.77Å |
| 2441 | H | 70 | Confident | 63.5 | Low | 80.8 Ų | 80.8 | 67.8 Ų | 67.8 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139 | 163.7 | -76.1 | -49.6 | 0 | 0 | 0 | 110.3 | C2531 G2533 | H2441-C2531 PolarHBondContact N-O 3.16Å; H2441-C2531 WeakPolarHBondContact O-CB 3.34Å; H2441-C2531 PolarHBondContact O-N 3.11Å; H2441-G2533 VanDerWaalsContact CD2-CA 3.49Å; H2441-G2533 WeakPolarHBondContact CD2-CA 3.31Å |
| 2442 | T | 62.2 | Low | 60.9 | Low | 95 Ų | 95 | 75 Ų | 75 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 128.1 | 166 | -25.9 | 0 | 0 | 0 | 0 | 108.1 | P2444 | T2442-P2444 VanDerWaalsContact O-CD 3.23Å; T2442-P2444 WeakPolarHBondContact O-CD 3.39Å |
| 2443 | D | 58.1 | Low | 58.8 | Low | 41 Ų | 41 | 79.7 Ų | 79.7 | 22% | 0.219 | 43% | 0.431 | C | S | . | . | trans | -69.9 | 113.2 | 176.6 | -169.7 | -8.6 | 0 | 0 | 0 | 109.7 | S2445 R2446 | D2443-S2445 PolarHBondContact O-N 3.09Å; D2443-S2445 VanDerWaalsContact O-N 3.16Å; D2443-S2445 WeakPolarHBondContact OD1-CB 3.42Å; D2443-S2445 PolarHBondContact OD1-N 3.01Å; D2443-S2445 VanDerWaalsContact OD1-N 3.1Å; D2443-S2445 PolarHBondContact OD1-OG 3.1Å; D2443-S2445 PolarHBondContact OD2-OG 3.13Å; D2443-S2445 VanDerWaalsContact OD2-OG 3.1Å; D2443-R2446 PolarHBondContact O-N 3.13Å; D2443-R2446 VanDerWaalsContact O-N 3.15Å | ||
| 2444 | P | 51 | Low | 56.5 | Low | 95.8 Ų | 95.8 | 88.6 Ų | 88.6 | 62% | 0.622 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -62.3 | -25.1 | -177.7 | 24.8 | -33.3 | 0 | 0 | 0 | 112.4 | T2442 R2446 M2447 | T2442-P2444 VanDerWaalsContact O-CD 3.23Å; T2442-P2444 WeakPolarHBondContact O-CD 3.39Å; P2444-R2446 PolarHBondContact O-N 3.1Å; P2444-M2447 PolarHBondContact O-N 3.13Å; P2444-M2447 VanDerWaalsContact O-N 3.13Å |
| 2445 | S | 51.8 | Low | 54.3 | Low | 94.8 Ų | 94.8 | 94.4 Ų | 94.4 | 66% | 0.663 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -66.2 | -18.6 | 178.7 | 58.3 | 0 | 0 | 0 | 0 | 114 | D2443 | D2443-S2445 PolarHBondContact O-N 3.09Å; D2443-S2445 VanDerWaalsContact O-N 3.16Å; D2443-S2445 WeakPolarHBondContact OD1-CB 3.42Å; D2443-S2445 PolarHBondContact OD1-N 3.01Å; D2443-S2445 VanDerWaalsContact OD1-N 3.1Å; D2443-S2445 PolarHBondContact OD1-OG 3.1Å; D2443-S2445 PolarHBondContact OD2-OG 3.13Å; D2443-S2445 VanDerWaalsContact OD2-OG 3.1Å |
| 2446 | R | 46.8 | Very low | 51.8 | Low | 166.2 Ų | 166.2 | 97.9 Ų | 97.9 | 63% | 0.627 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -106.3 | 2 | 179.1 | -66.3 | -169.5 | 176.2 | -156.8 | -0.6 | 113.7 | D2443 P2444 E2448 P2529 | D2443-R2446 PolarHBondContact O-N 3.13Å; D2443-R2446 VanDerWaalsContact O-N 3.15Å; P2444-R2446 PolarHBondContact O-N 3.1Å; R2446-E2448 VanDerWaalsContact C-N 3.31Å; R2446-E2448 PolarHBondContact O-N 3.17Å; R2446-E2448 VanDerWaalsContact O-N 3.11Å; R2446-P2529 VanDerWaalsContact NH1-CG 3.27Å |
| 2447 | M | 38.6 | Very low | 49.6 | Very low | 141.6 Ų | 141.6 | 102.8 Ų | 102.8 | 70% | 0.698 | 58% | 0.582 | S | S | * | * | trans | -85.3 | 68 | 177.8 | -158.7 | 168.2 | 169.6 | 0 | 0 | 109 | P2444 M2449 | P2444-M2447 PolarHBondContact O-N 3.13Å; P2444-M2447 VanDerWaalsContact O-N 3.13Å; M2447-M2449 PolarHBondContact O-N 3.03Å | ||
| 2448 | E | 37.4 | Very low | 47.5 | Very low | 179.8 Ų | 179.8 | 108.8 Ų | 108.8 | 84% | 0.84 | 62% | 0.62 | S | S | * | * | trans | -60.3 | 116.1 | 166.5 | -83.4 | -173.9 | 167.9 | 0 | 0 | 108.2 | R2446 M2450 | R2446-E2448 VanDerWaalsContact C-N 3.31Å; R2446-E2448 PolarHBondContact O-N 3.17Å; R2446-E2448 VanDerWaalsContact O-N 3.11Å; E2448-M2450 VanDerWaalsContact C-N 3.31Å; E2448-M2450 PolarHBondContact O-N 3.03Å | ||
| 2449 | M | 34.8 | Very low | 45.4 | Very low | 167 Ų | 167 | 113.8 Ų | 113.8 | 82% | 0.823 | 65% | 0.647 | S | S | * | * | trans | -59 | 87.8 | -179.9 | -156.3 | 169.2 | 76.7 | 0 | 0 | 109.4 | M2447 S2451 | M2447-M2449 PolarHBondContact O-N 3.03Å; M2449-S2451 VanDerWaalsContact C-N 3.3Å; M2449-S2451 PolarHBondContact O-N 3.05Å; M2449-S2451 PolarHBondContact O-OG 3.16Å | ||
| 2450 | M | 33.4 | Very low | 43.3 | Very low | 156.8 Ų | 156.8 | 120.7 Ų | 120.7 | 77% | 0.772 | 68% | 0.684 | S | S | * | * | trans | -75.9 | 88.1 | 160.6 | -85.2 | -179.2 | 78.5 | 0 | 0 | 107.6 | E2448 L2452 | E2448-M2450 VanDerWaalsContact C-N 3.31Å; E2448-M2450 PolarHBondContact O-N 3.03Å; M2450-L2452 VanDerWaalsContact C-N 3.26Å; M2450-L2452 PolarHBondContact O-N 3.14Å | ||
| 2451 | S | 32.3 | Very low | 41.1 | Very low | 105.8 Ų | 105.8 | 126.9 Ų | 126.9 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | trans | -73.6 | 81.8 | 166.9 | -62.5 | 0 | 0 | 0 | 0 | 108 | M2449 S2453 | M2449-S2451 VanDerWaalsContact C-N 3.3Å; M2449-S2451 PolarHBondContact O-N 3.05Å; M2449-S2451 PolarHBondContact O-OG 3.16Å; S2451-S2453 PolarHBondContact O-N 3.03Å | ||
| 2452 | L | 33.6 | Very low | 39.3 | Very low | 151.8 Ų | 151.8 | 131.6 Ų | 131.6 | 80% | 0.795 | 73% | 0.733 | S | S | * | * | trans | -73.7 | 105.9 | 165 | -74.3 | 165.4 | 0 | 0 | 0 | 107 | M2450 E2454 | M2450-L2452 VanDerWaalsContact C-N 3.26Å; M2450-L2452 PolarHBondContact O-N 3.14Å; L2452-E2454 PolarHBondContact O-N 3.4Å | ||
| 2453 | S | 36.8 | Very low | 37.9 | Very low | 107.4 Ų | 107.4 | 136.8 Ų | 136.8 | 75% | 0.751 | 75% | 0.748 | S | S | * | * | trans | -27.9 | 114.6 | 168.7 | 49.4 | 0 | 0 | 0 | 0 | 112.5 | S2451 P2455 | S2451-S2453 PolarHBondContact O-N 3.03Å; S2453-P2455 WeakPolarHBondContact O-CD 3.39Å | ||
| 2454 | E | 34.3 | Very low | 37 | Very low | 186.4 Ų | 186.4 | 140.5 Ų | 140.5 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | -47.3 | 132 | 172.1 | -74.7 | 178.5 | 141.5 | 0 | 0 | 111.4 | L2452 G2456 | L2452-E2454 PolarHBondContact O-N 3.4Å; E2454-G2456 PolarHBondContact O-N 3.02Å | ||
| 2455 | P | 39.2 | Very low | 36 | Very low | 122.8 Ų | 122.8 | 140.6 Ų | 140.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 119.5 | 172.1 | 23.3 | -22 | 0 | 0 | 0 | 108.6 | S2453 S2457 | S2453-P2455 WeakPolarHBondContact O-CD 3.39Å; P2455-S2457 PolarHBondContact O-N 3.02Å |
| 2456 | G | 33.2 | Very low | 35.1 | Very low | 75.6 Ų | 75.6 | 144 Ų | 144 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 123.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E2454 | E2454-G2456 PolarHBondContact O-N 3.02Š|
| 2457 | S | 32.1 | Very low | 34.7 | Very low | 108.4 Ų | 108.4 | 141.9 Ų | 141.9 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61 | 130.6 | 172.6 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | P2455 T2459 | P2455-S2457 PolarHBondContact O-N 3.02Å; S2457-T2459 PolarHBondContact O-N 3.03Å |
| 2458 | P | 36.1 | Very low | 34.2 | Very low | 126.8 Ų | 126.8 | 139.9 Ų | 139.9 | 82% | 0.823 | 81% | 0.806 | S | S | * | * | trans | -69.4 | 113.9 | 177.1 | 17.1 | -13.7 | 0 | 0 | 0 | 109.1 | D2460 | P2458-D2460 PolarHBondContact O-N 3.11Š| ||
| 2459 | T | 33.4 | Very low | 33.9 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -59.9 | 113.6 | 171.1 | 33.9 | 0 | 0 | 0 | 0 | 110.7 | S2457 K2461 | S2457-T2459 PolarHBondContact O-N 3.03Å; T2459-K2461 PolarHBondContact O-N 3.07Å | ||
| 2460 | D | 33.6 | Very low | 33.7 | Very low | 146.4 Ų | 146.4 | 139.6 Ų | 139.6 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -115.4 | 136.1 | 150.8 | -149.1 | -3.7 | 0 | 0 | 0 | 111.7 | P2458 Q2462 | P2458-D2460 PolarHBondContact O-N 3.11Å; D2460-Q2462 PolarHBondContact O-N 3.29Å | ||
| 2461 | K | 34.9 | Very low | 33.3 | Very low | 175.6 Ų | 175.6 | 143.2 Ų | 143.2 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -66.2 | 128.5 | -172.8 | -72.1 | 170.9 | -178.4 | 166.1 | 0 | 114.3 | T2459 K2463 | T2459-K2461 PolarHBondContact O-N 3.07Å; K2461-K2463 PolarHBondContact O-N 3.32Å | ||
| 2462 | Q | 30.6 | Very low | 33.2 | Very low | 179.6 Ų | 179.6 | 145.3 Ų | 145.3 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | 51 | 105.5 | 141.8 | -67.3 | 175.7 | -0.1 | 0 | 0 | 118.3 | D2460 | D2460-Q2462 PolarHBondContact O-N 3.29Š| ||
| 2463 | K | 34.5 | Very low | 33 | Very low | 204.4 Ų | 204.4 | 149.1 Ų | 149.1 | 89% | 0.889 | 81% | 0.813 | S | S | * | * | -169.4 | 150.4 | 125.1 | -102.2 | 169.1 | -176.1 | 179.4 | 0 | 111.6 | K2461 | K2461-K2463 PolarHBondContact O-N 3.32Š| |||
| 2464 | P | 38.3 | Very low | 32.7 | Very low | 118.6 Ų | 118.6 | 151.3 Ų | 151.3 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -93.6 | 147.8 | -153.9 | 35.5 | -33.6 | 0 | 0 | 0 | 115.1 | ||||
| 2465 | A | 29.8 | Very low | 32.8 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | 12.8 | 113.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2466 | L | 33.9 | Very low | 32.7 | Very low | 167.2 Ų | 167.2 | 145 Ų | 145 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | -139.9 | 142.8 | 141.9 | -87.4 | 163.9 | 0 | 0 | 0 | 108 | A2468 | L2466-A2468 PolarHBondContact O-N 3.28Š| ||
| 2467 | P | 37.2 | Very low | 32.9 | Very low | 122.8 Ų | 122.8 | 148.6 Ų | 148.6 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -79.9 | 127.8 | -160.8 | 31 | -31.9 | 0 | 0 | 0 | 111.5 | E2469 | P2467-E2469 PolarHBondContact O-N 3.24Š| ||
| 2468 | A | 29.4 | Very low | 33.2 | Very low | 98.4 Ų | 98.4 | 147.1 Ų | 147.1 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -86.2 | 111.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L2466 I2470 | L2466-A2468 PolarHBondContact O-N 3.28Å; A2468-I2470 PolarHBondContact O-N 3.43Å; A2468-I2470 VanDerWaalsContact O-N 3.17Å | ||
| 2469 | E | 29.8 | Very low | 33.3 | Very low | 184.6 Ų | 184.6 | 144.3 Ų | 144.3 | 86% | 0.863 | 77% | 0.767 | S | S | * | * | trans | -42.3 | 133.9 | 160.7 | -77.7 | 175.5 | 148.5 | 0 | 0 | 112.8 | P2467 R2471 | P2467-E2469 PolarHBondContact O-N 3.24Å; E2469-R2471 VanDerWaalsContact C-N 3.28Å; E2469-R2471 PolarHBondContact O-N 3.17Å; E2469-R2471 VanDerWaalsContact O-N 3.12Å | ||
| 2470 | I | 30.1 | Very low | 33.5 | Very low | 156.4 Ų | 156.4 | 147.2 Ų | 147.2 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -52.7 | 100.9 | 176 | -62.7 | 163 | 0 | 0 | 0 | 108.8 | A2468 E2472 | A2468-I2470 PolarHBondContact O-N 3.43Å; A2468-I2470 VanDerWaalsContact O-N 3.17Å; I2470-E2472 VanDerWaalsContact C-N 3.28Å; I2470-E2472 HydrophobicContact CG2-CG 4.24Å; I2470-E2472 PolarHBondContact O-N 3.3Å; I2470-E2472 VanDerWaalsContact O-N 3.14Å | ||
| 2471 | R | 27 | Very low | 33.7 | Very low | 231.2 Ų | 231.2 | 146.6 Ų | 146.6 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -88.8 | 89.7 | 172 | -142.6 | 173.1 | -179.1 | 159.7 | 0.6 | 107.5 | E2469 R2473 | E2469-R2471 VanDerWaalsContact C-N 3.28Å; E2469-R2471 PolarHBondContact O-N 3.17Å; E2469-R2471 VanDerWaalsContact O-N 3.12Å; R2471-R2473 VanDerWaalsContact C-N 3.29Å; R2471-R2473 PolarHBondContact O-N 3.2Å | ||
| 2472 | E | 30 | Very low | 33.9 | Very low | 150 Ų | 150 | 142 Ų | 142 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -52.4 | 111.4 | 170.2 | -70.4 | -175.7 | 159.1 | 0 | 0 | 109.1 | I2470 H2474 | I2470-E2472 VanDerWaalsContact C-N 3.28Å; I2470-E2472 HydrophobicContact CG2-CG 4.24Å; I2470-E2472 PolarHBondContact O-N 3.3Å; I2470-E2472 VanDerWaalsContact O-N 3.14Å; E2472-H2474 PolarHBondContact O-N 3.13Å; E2472-H2474 IonicContact OE2-CE1 2.66Å | ||
| 2473 | R | 28.2 | Very low | 34 | Very low | 232.6 Ų | 232.6 | 140.9 Ų | 140.9 | 88% | 0.878 | 75% | 0.751 | S | S | * | * | trans | -84 | 100.4 | 174.1 | -74.6 | -176.3 | 176.3 | 173.5 | -0.4 | 107.9 | R2471 S2475 | R2471-R2473 VanDerWaalsContact C-N 3.29Å; R2471-R2473 PolarHBondContact O-N 3.2Å; R2473-S2475 PolarHBondContact O-N 3.24Å; R2473-S2475 PolarHBondContact O-OG 2.95Å | ||
| 2474 | H | 31.5 | Very low | 33.7 | Very low | 154.4 Ų | 154.4 | 141 Ų | 141 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | trans | -59.4 | 91.3 | 169.4 | -67.7 | -74.9 | 0 | 0 | 0 | 110.7 | E2472 S2476 F2477 | E2472-H2474 PolarHBondContact O-N 3.13Å; E2472-H2474 IonicContact OE2-CE1 2.66Å; H2474-S2476 PolarHBondContact O-N 3.39Å; H2474-S2476 VanDerWaalsContact O-N 3.09Å; H2474-F2477 PolarHBondContact O-N 3.45Å; H2474-F2477 VanDerWaalsContact O-N 3.13Å | ||
| 2475 | S | 35.9 | Very low | 33.4 | Very low | 100.2 Ų | 100.2 | 140.3 Ų | 140.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 19.2 | 175.3 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | R2473 F2477 A2478 A2479 | R2473-S2475 PolarHBondContact O-N 3.24Å; R2473-S2475 PolarHBondContact O-OG 2.95Å; S2475-F2477 VanDerWaalsContact C-N 3.29Å; S2475-F2477 PolarHBondContact O-N 2.89Å; S2475-A2478 PolarHBondContact O-N 3.17Å; S2475-A2479 PolarHBondContact O-N 3.12Å |
| 2476 | S | 37.1 | Very low | 33.5 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 52% | 0.524 | 74% | 0.741 | S | S | . | * | H | α-helix | trans | -80.2 | -9.3 | 175.4 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | H2474 R2480 | H2474-S2476 PolarHBondContact O-N 3.39Å; H2474-S2476 VanDerWaalsContact O-N 3.09Å; S2476-R2480 WeakPolarHBondContact O-CB 3.25Å; S2476-R2480 VanDerWaalsContact O-CG 3.3Å; S2476-R2480 WeakPolarHBondContact O-CG 3.2Å; S2476-R2480 PolarHBondContact O-N 3.42Å |
| 2477 | F | 38.1 | Very low | 33.5 | Very low | 151.4 Ų | 151.4 | 142.7 Ų | 142.7 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -82.9 | -33.8 | 176.7 | -156.1 | -97.7 | 0 | 0 | 0 | 113.2 | H2474 S2475 A2479 R2480 M2481 | H2474-F2477 PolarHBondContact O-N 3.45Å; H2474-F2477 VanDerWaalsContact O-N 3.13Å; S2475-F2477 VanDerWaalsContact C-N 3.29Å; S2475-F2477 PolarHBondContact O-N 2.89Å; F2477-A2479 VanDerWaalsContact C-N 3.34Å; F2477-A2479 PolarHBondContact O-N 3.2Å; F2477-R2480 PolarHBondContact O-N 3.11Å; F2477-M2481 HydrophobicContact CD1-CG 4.41Å; F2477-M2481 HydrophobicContact CE1-CE 4.05Å; F2477-M2481 HydrophobicContact CE1-CG 4.18Å; F2477-M2481 HydrophobicContact CE1-SD 4.07Å; F2477-M2481 HydrophobicContact CZ-CE 4.28Å; F2477-M2481 PolarHBondContact O-N 3.13Å |
| 2478 | A | 37.6 | Very low | 33.2 | Very low | 78.2 Ų | 78.2 | 144.4 Ų | 144.4 | 65% | 0.646 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -69.1 | -35.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S2475 R2480 M2481 A2482 | S2475-A2478 PolarHBondContact O-N 3.17Å; A2478-R2480 VanDerWaalsContact C-N 3.33Å; A2478-R2480 PolarHBondContact O-N 2.98Å; A2478-M2481 PolarHBondContact O-N 3.2Å; A2478-A2482 PolarHBondContact O-N 2.99Å |
| 2479 | A | 39.3 | Very low | 33.3 | Very low | 67.6 Ų | 67.6 | 150.6 Ų | 150.6 | 56% | 0.559 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -70 | -29.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S2475 F2477 | S2475-A2479 PolarHBondContact O-N 3.12Å; F2477-A2479 VanDerWaalsContact C-N 3.34Å; F2477-A2479 PolarHBondContact O-N 3.2Å |
| 2480 | R | 37.4 | Very low | 33.3 | Very low | 198.6 Ų | 198.6 | 147.1 Ų | 147.1 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -79.7 | -24.1 | 178.8 | -75 | -174 | -172 | 162.8 | 3.8 | 113.9 | S2476 F2477 A2478 A2482 L2483 | S2476-R2480 WeakPolarHBondContact O-CB 3.25Å; S2476-R2480 VanDerWaalsContact O-CG 3.3Å; S2476-R2480 WeakPolarHBondContact O-CG 3.2Å; S2476-R2480 PolarHBondContact O-N 3.42Å; F2477-R2480 PolarHBondContact O-N 3.11Å; A2478-R2480 VanDerWaalsContact C-N 3.33Å; A2478-R2480 PolarHBondContact O-N 2.98Å; R2480-A2482 VanDerWaalsContact C-N 3.31Å; R2480-L2483 PolarHBondContact O-N 3.43Å |
| 2481 | M | 36.9 | Very low | 33.3 | Very low | 134.2 Ų | 134.2 | 144.4 Ų | 144.4 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -76.8 | -23.3 | 175.4 | -93 | -139.3 | 175.5 | 0 | 0 | 113.5 | F2477 A2478 L2483 R2484 | F2477-M2481 HydrophobicContact CD1-CG 4.41Å; F2477-M2481 HydrophobicContact CE1-CE 4.05Å; F2477-M2481 HydrophobicContact CE1-CG 4.18Å; F2477-M2481 HydrophobicContact CE1-SD 4.07Å; F2477-M2481 HydrophobicContact CZ-CE 4.28Å; F2477-M2481 PolarHBondContact O-N 3.13Å; A2478-M2481 PolarHBondContact O-N 3.2Å; M2481-L2483 VanDerWaalsContact C-N 3.32Å; M2481-L2483 PolarHBondContact O-N 3.08Å; M2481-L2483 VanDerWaalsContact O-N 3.13Å; M2481-R2484 PolarHBondContact O-N 3.06Å |
| 2482 | A | 38.6 | Very low | 33.8 | Very low | 80.4 Ų | 80.4 | 140.5 Ų | 140.5 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -12.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A2478 R2480 | A2478-A2482 PolarHBondContact O-N 2.99Å; R2480-A2482 VanDerWaalsContact C-N 3.31Å |
| 2483 | L | 33 | Very low | 33.7 | Very low | 156.4 Ų | 156.4 | 142.7 Ų | 142.7 | 82% | 0.819 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 12.9 | -178.6 | -69.4 | 173.1 | 0 | 0 | 0 | 114.4 | R2480 M2481 | R2480-L2483 PolarHBondContact O-N 3.43Å; M2481-L2483 VanDerWaalsContact C-N 3.32Å; M2481-L2483 PolarHBondContact O-N 3.08Å; M2481-L2483 VanDerWaalsContact O-N 3.13Å |
| 2484 | R | 29 | Very low | 33.9 | Very low | 206.6 Ų | 206.6 | 134.9 Ų | 134.9 | 78% | 0.78 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -108.3 | 125.3 | 168.8 | -79.2 | -169.7 | 174.7 | -178.9 | -2.1 | 110.8 | M2481 P2486 E2488 | M2481-R2484 PolarHBondContact O-N 3.06Å; R2484-P2486 VanDerWaalsContact O-CD 3.3Å; R2484-P2486 WeakPolarHBondContact O-CD 3.4Å; R2484-P2486 VanDerWaalsContact O-N 3.08Å; R2484-E2488 WeakPolarHBondContact CD-OE2 3.22Å; R2484-E2488 IonicContact CZ-OE2 2.72Å; R2484-E2488 IonicContact NE-OE2 3.72Å; R2484-E2488 IonicContact NH1-OE1 2.68Å; R2484-E2488 IonicContact NH1-OE2 3.96Å; R2484-E2488 PolarHBondContact NH1-OE2 3.29Å |
| 2485 | S | 31.4 | Very low | 34 | Very low | 103.8 Ų | 103.8 | 136.5 Ų | 136.5 | 73% | 0.726 | 72% | 0.72 | S | S | * | * | trans | -42.1 | 125.5 | -173.1 | 62.3 | 0 | 0 | 0 | 0 | 114.2 | F2487 E2488 | S2485-F2487 VanDerWaalsContact C-N 3.26Å; S2485-F2487 PolarHBondContact O-N 3.41Å; S2485-E2488 PolarHBondContact O-N 3.27Å; S2485-E2488 VanDerWaalsContact O-N 3.13Å | ||
| 2486 | P | 32.8 | Very low | 34 | Very low | 114.4 Ų | 114.4 | 138.6 Ų | 138.6 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -86.7 | 47.2 | -179.9 | 11.9 | 0.9 | 0 | 0 | 0 | 112 | R2484 E2488 R2489 | R2484-P2486 VanDerWaalsContact O-CD 3.3Å; R2484-P2486 WeakPolarHBondContact O-CD 3.4Å; R2484-P2486 VanDerWaalsContact O-N 3.08Å; P2486-E2488 VanDerWaalsContact C-N 3.26Å; P2486-E2488 PolarHBondContact O-N 3.27Å; P2486-R2489 PolarHBondContact O-N 2.72Å | ||
| 2487 | F | 33.2 | Very low | 33.8 | Very low | 198.8 Ų | 198.8 | 140.2 Ų | 140.2 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | trans | -77.7 | 32.8 | 162.3 | -115.6 | -90.2 | 0 | 0 | 0 | 110.2 | S2485 | S2485-F2487 VanDerWaalsContact C-N 3.26Å; S2485-F2487 PolarHBondContact O-N 3.41Å | ||
| 2488 | E | 31.2 | Very low | 33.6 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -153 | 69.9 | -178.4 | -61.5 | -177.7 | 178.1 | 0 | 0 | 113.4 | R2484 S2485 P2486 | R2484-E2488 WeakPolarHBondContact CD-OE2 3.22Å; R2484-E2488 IonicContact CZ-OE2 2.72Å; R2484-E2488 IonicContact NE-OE2 3.72Å; R2484-E2488 IonicContact NH1-OE1 2.68Å; R2484-E2488 IonicContact NH1-OE2 3.96Å; R2484-E2488 PolarHBondContact NH1-OE2 3.29Å; S2485-E2488 PolarHBondContact O-N 3.27Å; S2485-E2488 VanDerWaalsContact O-N 3.13Å; P2486-E2488 VanDerWaalsContact C-N 3.26Å; P2486-E2488 PolarHBondContact O-N 3.27Å |
| 2489 | R | 30.2 | Very low | 33.4 | Very low | 227.4 Ų | 227.4 | 143.7 Ų | 143.7 | 86% | 0.858 | 73% | 0.725 | S | S | * | * | trans | -173.5 | 88 | 143 | -86.7 | 169.9 | -161.7 | -176.6 | 5.1 | 110.6 | P2486 S2491 | P2486-R2489 PolarHBondContact O-N 2.72Å; R2489-S2491 VanDerWaalsContact C-N 3.33Å; R2489-S2491 PolarHBondContact O-N 2.85Å | ||
| 2490 | S | 30.7 | Very low | 33 | Very low | 111.4 Ų | 111.4 | 147.2 Ų | 147.2 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -72.9 | 109.6 | 172.1 | 45.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 2491 | S | 31.3 | Very low | 32.9 | Very low | 100.8 Ų | 100.8 | 144.4 Ų | 144.4 | 71% | 0.705 | 73% | 0.73 | S | S | * | * | trans | 55.2 | 77.6 | 161.4 | 69.2 | 0 | 0 | 0 | 0 | 116.6 | R2489 F2493 | R2489-S2491 VanDerWaalsContact C-N 3.33Å; R2489-S2491 PolarHBondContact O-N 2.85Å; S2491-F2493 PolarHBondContact O-N 2.75Å | ||
| 2492 | I | 35.6 | Very low | 32.7 | Very low | 148.8 Ų | 148.8 | 145.6 Ų | 145.6 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -121.2 | -15.9 | 149.9 | -69.5 | 175.5 | 0 | 0 | 0 | 111.8 | S2494 | I2492-S2494 PolarHBondContact O-N 2.82Š|
| 2493 | F | 28.7 | Very low | 32.2 | Very low | 194.8 Ų | 194.8 | 150.4 Ų | 150.4 | 85% | 0.854 | 74% | 0.742 | S | S | * | * | trans | -125.3 | 83.9 | 172.7 | -69.1 | -81.3 | 0 | 0 | 0 | 111 | S2491 | S2491-F2493 PolarHBondContact O-N 2.75Š| ||
| 2494 | S | 31.7 | Very low | 32 | Very low | 69.2 Ų | 69.2 | 152.1 Ų | 152.1 | 48% | 0.484 | 74% | 0.743 | S | S | . | * | trans | -81.9 | 133.4 | 159.9 | 73.7 | 0 | 0 | 0 | 0 | 108.5 | I2492 E2496 N2497 | I2492-S2494 PolarHBondContact O-N 2.82Å; S2494-E2496 PolarHBondContact O-N 3.15Å; S2494-E2496 VanDerWaalsContact O-N 3.1Å; S2494-N2497 PolarHBondContact O-N 3.49Å; S2494-N2497 VanDerWaalsContact O-N 3.14Å | ||
| 2495 | F | 35 | Very low | 32 | Very low | 188.6 Ų | 188.6 | 147.2 Ų | 147.2 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 0.1 | -174.6 | -128.2 | -96.1 | 0 | 0 | 0 | 113.6 | N2497 F2498 | F2495-N2497 VanDerWaalsContact C-N 3.3Å; F2495-N2497 PolarHBondContact O-N 3.24Å; F2495-F2498 HydrophobicContact CD1-CB 4.41Å; F2495-F2498 HydrophobicContact CE1-CB 4.46Å; F2495-F2498 WeakPolarHBondContact O-CB 3.1Å; F2495-F2498 PolarHBondContact O-N 3.11Å |
| 2496 | E | 35.8 | Very low | 31.9 | Very low | 143.4 Ų | 143.4 | 150.5 Ų | 150.5 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -65.7 | -24.5 | 178.6 | -75.3 | 173 | 145.1 | 0 | 0 | 112.9 | S2494 F2498 Q2499 M2500 | S2494-E2496 PolarHBondContact O-N 3.15Å; S2494-E2496 VanDerWaalsContact O-N 3.1Å; E2496-F2498 PolarHBondContact O-N 3.07Å; E2496-F2498 VanDerWaalsContact O-N 3.17Å; E2496-Q2499 PolarHBondContact O-N 3.09Å; E2496-Q2499 VanDerWaalsContact O-N 3.11Å; E2496-M2500 PolarHBondContact O-N 3.32Å |
| 2497 | N | 32.1 | Very low | 31.8 | Very low | 110.4 Ų | 110.4 | 149.8 Ų | 149.8 | 59% | 0.59 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -68.8 | -16.8 | 178.2 | -79 | -11.2 | 0 | 0 | 0 | 114.1 | S2494 F2495 Q2499 M2500 L2501 | S2494-N2497 PolarHBondContact O-N 3.49Å; S2494-N2497 VanDerWaalsContact O-N 3.14Å; F2495-N2497 VanDerWaalsContact C-N 3.3Å; F2495-N2497 PolarHBondContact O-N 3.24Å; N2497-Q2499 VanDerWaalsContact C-N 3.33Å; N2497-M2500 PolarHBondContact O-N 3.21Å; N2497-L2501 PolarHBondContact O-N 3.04Å |
| 2498 | F | 33.2 | Very low | 32 | Very low | 150.2 Ų | 150.2 | 146.6 Ų | 146.6 | 66% | 0.659 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -76.1 | -26.3 | 173.8 | -150.5 | -93.1 | 0 | 0 | 0 | 112.2 | F2495 E2496 L2501 | F2495-F2498 HydrophobicContact CD1-CB 4.41Å; F2495-F2498 HydrophobicContact CE1-CB 4.46Å; F2495-F2498 WeakPolarHBondContact O-CB 3.1Å; F2495-F2498 PolarHBondContact O-N 3.11Å; E2496-F2498 PolarHBondContact O-N 3.07Å; E2496-F2498 VanDerWaalsContact O-N 3.17Å; F2498-L2501 PolarHBondContact O-N 3.22Å |
| 2499 | Q | 33.8 | Very low | 32 | Very low | 151.4 Ų | 151.4 | 147.5 Ų | 147.5 | 71% | 0.707 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -76.8 | -27.5 | 172.4 | -80.9 | -171.4 | -4 | 0 | 0 | 112.8 | E2496 N2497 L2501 M2502 K2503 | E2496-Q2499 PolarHBondContact O-N 3.09Å; E2496-Q2499 VanDerWaalsContact O-N 3.11Å; N2497-Q2499 VanDerWaalsContact C-N 3.33Å; Q2499-L2501 VanDerWaalsContact C-N 3.32Å; Q2499-L2501 PolarHBondContact O-N 3.23Å; Q2499-M2502 PolarHBondContact O-N 3.18Å; Q2499-M2502 VanDerWaalsContact O-N 3.14Å; Q2499-K2503 PolarHBondContact O-N 3.03Å; Q2499-K2503 VanDerWaalsContact O-N 3.14Å |
| 2500 | M | 31.7 | Very low | 32 | Very low | 141.8 Ų | 141.8 | 144.9 Ų | 144.9 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -69.1 | -25.3 | 174.3 | -91.6 | -174.3 | 68.1 | 0 | 0 | 113.6 | E2496 N2497 M2502 K2503 | E2496-M2500 PolarHBondContact O-N 3.32Å; N2497-M2500 PolarHBondContact O-N 3.21Å; M2500-M2502 VanDerWaalsContact C-N 3.26Å; M2500-M2502 PolarHBondContact O-N 3.18Å; M2500-M2502 VanDerWaalsContact O-N 3.1Å; M2500-K2503 PolarHBondContact O-N 2.97Å; M2500-K2503 VanDerWaalsContact O-N 3.09Å |
| 2501 | L | 35.8 | Very low | 32 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -12.7 | 172.5 | -96.3 | 152 | 0 | 0 | 0 | 113.5 | N2497 F2498 Q2499 | N2497-L2501 PolarHBondContact O-N 3.04Å; F2498-L2501 PolarHBondContact O-N 3.22Å; Q2499-L2501 VanDerWaalsContact C-N 3.32Å; Q2499-L2501 PolarHBondContact O-N 3.23Å |
| 2502 | M | 31.8 | Very low | 32.3 | Very low | 160.8 Ų | 160.8 | 147.4 Ų | 147.4 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -4.5 | 177.9 | -66.3 | -68.3 | -77.5 | 0 | 0 | 114.1 | Q2499 M2500 K2504 | Q2499-M2502 PolarHBondContact O-N 3.18Å; Q2499-M2502 VanDerWaalsContact O-N 3.14Å; M2500-M2502 VanDerWaalsContact C-N 3.26Å; M2500-M2502 PolarHBondContact O-N 3.18Å; M2500-M2502 VanDerWaalsContact O-N 3.1Å; M2502-K2504 PolarHBondContact O-N 3.22Å |
| 2503 | K | 27.9 | Very low | 32.1 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | trans | -102.4 | 81.1 | 171.9 | -83.9 | -175.2 | 175.2 | 178 | 0 | 110.4 | Q2499 M2500 S2505 | Q2499-K2503 PolarHBondContact O-N 3.03Å; Q2499-K2503 VanDerWaalsContact O-N 3.14Å; M2500-K2503 PolarHBondContact O-N 2.97Å; M2500-K2503 VanDerWaalsContact O-N 3.09Å; K2503-S2505 PolarHBondContact O-N 3.11Å | ||
| 2504 | K | 28.1 | Very low | 32 | Very low | 192.2 Ų | 192.2 | 150.3 Ų | 150.3 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -88.9 | 117.9 | 162.4 | -91.4 | -175.1 | 174.4 | -178.1 | 0 | 109.9 | M2502 | M2502-K2504 PolarHBondContact O-N 3.22Š| ||
| 2505 | S | 30.4 | Very low | 31.8 | Very low | 102.2 Ų | 102.2 | 156.2 Ų | 156.2 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | trans | 29.5 | 114.1 | 155 | 53.1 | 0 | 0 | 0 | 0 | 116.6 | K2503 S2507 | K2503-S2505 PolarHBondContact O-N 3.11Å; S2505-S2507 PolarHBondContact O-N 3.12Å; S2505-S2507 VanDerWaalsContact O-N 3.15Å | ||
| 2506 | D | 29 | Very low | 31.4 | Very low | 174.8 Ų | 174.8 | 156 Ų | 156 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -48.2 | 106.6 | 165 | -63.1 | -50 | 0 | 0 | 0 | 112 | ||||
| 2507 | S | 30.4 | Very low | 30.9 | Very low | 98 Ų | 98 | 154.7 Ų | 154.7 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -153.9 | 122.7 | 150.3 | 53.7 | 0 | 0 | 0 | 0 | 107.8 | S2505 E2509 | S2505-S2507 PolarHBondContact O-N 3.12Å; S2505-S2507 VanDerWaalsContact O-N 3.15Å; S2507-E2509 PolarHBondContact O-N 3.24Å | ||
| 2508 | P | 37.5 | Very low | 30.8 | Very low | 132.4 Ų | 132.4 | 154.5 Ų | 154.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -89.2 | 98 | -169.6 | 33.9 | -28.6 | 0 | 0 | 0 | 109.1 | ||||
| 2509 | E | 30.5 | Very low | 30.8 | Very low | 179.2 Ų | 179.2 | 155.4 Ų | 155.4 | 84% | 0.837 | 79% | 0.791 | S | S | * | * | trans | -131.4 | 124.7 | 161 | -74 | -168 | 165.2 | 0 | 0 | 110.1 | S2507 I2511 | S2507-E2509 PolarHBondContact O-N 3.24Å; E2509-I2511 PolarHBondContact O-N 3.18Å; E2509-I2511 VanDerWaalsContact O-N 3.13Å | ||
| 2510 | D | 32.1 | Very low | 30.8 | Very low | 172.6 Ų | 172.6 | 151.8 Ų | 151.8 | 92% | 0.923 | 79% | 0.794 | S | S | * | * | trans | -47.8 | 113.1 | -174.7 | -79.9 | -50.7 | 0 | 0 | 0 | 113.9 | ||||
| 2511 | I | 30.5 | Very low | 30.7 | Very low | 152.4 Ų | 152.4 | 151.7 Ų | 151.7 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -122.1 | 129.4 | 166.2 | -60 | 179.6 | 0 | 0 | 0 | 108.8 | E2509 | E2509-I2511 PolarHBondContact O-N 3.18Å; E2509-I2511 VanDerWaalsContact O-N 3.13Å | ||
| 2512 | P | 37.7 | Very low | 30.6 | Very low | 112.4 Ų | 112.4 | 148.8 Ų | 148.8 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | trans | -78.6 | 146.5 | -161.4 | 31.1 | -34 | 0 | 0 | 0 | 113 | K2514 | P2512-K2514 PolarHBondContact O-N 3.26Å; P2512-K2514 VanDerWaalsContact O-N 3.12Å | ||
| 2513 | K | 29.5 | Very low | 30.8 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 90% | 0.9 | 77% | 0.772 | S | S | * | * | trans | -23 | 96.2 | 173.8 | -63.4 | 178.5 | -179.9 | 179.3 | 0 | 113.1 | K2515 | K2513-K2515 PolarHBondContact O-N 3.28Å; K2513-K2515 VanDerWaalsContact O-N 3.14Å | ||
| 2514 | K | 28.6 | Very low | 31.5 | Very low | 196.4 Ų | 196.4 | 146.4 Ų | 146.4 | 85% | 0.854 | 76% | 0.76 | S | S | * | * | trans | -59.7 | 111.3 | 165.9 | -84.4 | -179.6 | 175.5 | 176.3 | 0 | 108 | P2512 E2516 | P2512-K2514 PolarHBondContact O-N 3.26Å; P2512-K2514 VanDerWaalsContact O-N 3.12Å; K2514-E2516 PolarHBondContact O-N 2.99Å; K2514-E2516 VanDerWaalsContact O-N 3.14Å | ||
| 2515 | K | 27.4 | Very low | 32 | Very low | 194.8 Ų | 194.8 | 145.9 Ų | 145.9 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | -59.2 | 115.3 | 164.1 | -76.8 | 179.7 | 174.7 | 178.5 | 0 | 107.4 | K2513 V2517 | K2513-K2515 PolarHBondContact O-N 3.28Å; K2513-K2515 VanDerWaalsContact O-N 3.14Å; K2515-V2517 PolarHBondContact O-N 3.09Å; K2515-V2517 VanDerWaalsContact O-N 3.14Å | ||
| 2516 | E | 26.3 | Very low | 32.4 | Very low | 184.2 Ų | 184.2 | 143.4 Ų | 143.4 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.5 | 166.5 | -65.9 | 179.1 | 164 | 0 | 0 | 107.9 | K2514 P2518 | K2514-E2516 PolarHBondContact O-N 2.99Å; K2514-E2516 VanDerWaalsContact O-N 3.14Å; E2516-P2518 VanDerWaalsContact O-CD 3.29Å; E2516-P2518 WeakPolarHBondContact O-CD 3.38Å |
| 2517 | V | 25.5 | Very low | 33 | Very low | 115.8 Ų | 115.8 | 142.5 Ų | 142.5 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 116.8 | 174.3 | 179.9 | 0 | 0 | 0 | 0 | 106.4 | K2515 F2519 | K2515-V2517 PolarHBondContact O-N 3.09Å; K2515-V2517 VanDerWaalsContact O-N 3.14Å; V2517-F2519 PolarHBondContact O-N 2.95Å |
| 2518 | P | 28.6 | Very low | 33.6 | Very low | 105.4 Ų | 105.4 | 144.7 Ų | 144.7 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 131.5 | -178.9 | -5.6 | 16 | 0 | 0 | 0 | 109.3 | E2516 G2520 E2521 | E2516-P2518 VanDerWaalsContact O-CD 3.29Å; E2516-P2518 WeakPolarHBondContact O-CD 3.38Å; P2518-G2520 PolarHBondContact O-N 3.12Å; P2518-E2521 PolarHBondContact O-N 3Å |
| 2519 | F | 33.3 | Very low | 34.2 | Very low | 170.6 Ų | 170.6 | 141.2 Ų | 141.2 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -60.9 | 6.7 | -178.1 | -119.5 | -92.9 | 0 | 0 | 0 | 114.9 | V2517 E2521 M2522 | V2517-F2519 PolarHBondContact O-N 2.95Å; F2519-E2521 PolarHBondContact O-N 3.03Å; F2519-M2522 PolarHBondContact O-N 3.15Å |
| 2520 | G | 34.2 | Very low | 36.1 | Very low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -67.7 | -15.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P2518 M2522 | P2518-G2520 PolarHBondContact O-N 3.12Å; G2520-M2522 VanDerWaalsContact C-N 3.32Å; G2520-M2522 PolarHBondContact O-N 2.99Å |
| 2521 | E | 30.4 | Very low | 38.3 | Very low | 141.2 Ų | 141.2 | 127.1 Ų | 127.1 | 66% | 0.66 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -96.1 | 40.7 | 176.3 | -69.6 | -166.7 | 176.4 | 0 | 0 | 113.6 | P2518 F2519 R2523 | P2518-E2521 PolarHBondContact O-N 3Å; F2519-E2521 PolarHBondContact O-N 3.03Å; E2521-R2523 HydrophobicContact CB-CG 4.36Å; E2521-R2523 PolarHBondContact O-N 3.2Å; E2521-R2523 IonicContact OE2-CZ 3.92Å; E2521-R2523 IonicContact OE2-NE 2.67Å; E2521-R2523 PolarHBondContact OE2-NE 2.83Å; E2521-R2523 VanDerWaalsContact OE2-NE 3.08Å; E2521-R2523 IonicContact OE2-NH2 3.21Å; E2521-R2523 PolarHBondContact OE2-NH2 3.36Å |
| 2522 | M | 33.7 | Very low | 40.8 | Very low | 78.2 Ų | 78.2 | 120 Ų | 120 | 39% | 0.385 | 60% | 0.6 | S | S | . | * | trans | -67.7 | 76.8 | 154.5 | -152.8 | 177.5 | 159.8 | 0 | 0 | 107.1 | F2440 F2519 G2520 N2524 Q2530 K2588 | F2440-M2522 HydrophobicContact CE2-CE 4.32Å; F2440-M2522 HydrophobicContact CZ-CE 4.43Å; F2519-M2522 PolarHBondContact O-N 3.15Å; G2520-M2522 VanDerWaalsContact C-N 3.32Å; G2520-M2522 PolarHBondContact O-N 2.99Å; M2522-N2524 PolarHBondContact O-N 3.1Å; M2522-Q2530 VanDerWaalsContact CE-OE1 3.31Å; M2522-K2588 PolarHBondContact O-NZ 3.5Å | ||
| 2523 | R | 35 | Very low | 42.9 | Very low | 192.6 Ų | 192.6 | 114.6 Ų | 114.6 | 73% | 0.727 | 57% | 0.565 | S | S | * | * | trans | -48.2 | 136.4 | 177.4 | -80.1 | -178 | 173.8 | -176.7 | -2.4 | 107 | E2521 K2525 S2526 | E2521-R2523 HydrophobicContact CB-CG 4.36Å; E2521-R2523 PolarHBondContact O-N 3.2Å; E2521-R2523 IonicContact OE2-CZ 3.92Å; E2521-R2523 IonicContact OE2-NE 2.67Å; E2521-R2523 PolarHBondContact OE2-NE 2.83Å; E2521-R2523 VanDerWaalsContact OE2-NE 3.08Å; E2521-R2523 IonicContact OE2-NH2 3.21Å; E2521-R2523 PolarHBondContact OE2-NH2 3.36Å; R2523-K2525 CarbonylContact O-C 3.47Å; R2523-K2525 PolarHBondContact O-N 2.91Å; R2523-S2526 PolarHBondContact O-N 3.36Å | ||
| 2524 | N | 42.2 | Very low | 45.3 | Very low | 98.8 Ų | 98.8 | 107.5 Ų | 107.5 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -58.1 | 10 | 175.9 | -69.3 | -18.9 | 0 | 0 | 0 | 114.4 | M2522 K2588 Y2608 | M2522-N2524 PolarHBondContact O-N 3.1Å; N2524-K2588 PolarHBondContact OD1-NZ 3.33Å; N2524-Y2608 HydrophobicContact CB-CD1 4.19Å; N2524-Y2608 HydrophobicContact CB-CE1 3.87Å; N2524-Y2608 PolarHBondContact O-OH 3.11Å |
| 2525 | K | 38.6 | Very low | 47.8 | Very low | 181.4 Ų | 181.4 | 99.1 Ų | 99.1 | 79% | 0.789 | 51% | 0.507 | S | S | * | . | trans | -134 | 68.7 | 177.5 | -65.8 | -176.7 | 177.4 | -177.7 | 0 | 108.5 | R2523 D2527 | R2523-K2525 CarbonylContact O-C 3.47Å; R2523-K2525 PolarHBondContact O-N 2.91Å; K2525-D2527 PolarHBondContact O-N 2.76Å | ||
| 2526 | S | 38.9 | Very low | 50.6 | Low | 50.2 Ų | 50.2 | 89.9 Ų | 89.9 | 35% | 0.351 | 47% | 0.466 | S | S | . | . | trans | -66.3 | 133.9 | 157.1 | 53.6 | 0 | 0 | 0 | 0 | 107.4 | R2523 Y2528 Q2530 | R2523-S2526 PolarHBondContact O-N 3.36Å; S2526-Y2528 PolarHBondContact O-N 3.1Å; S2526-Y2528 PolarHBondContact OG-O 3.13Å; S2526-Q2530 PolarHBondContact OG-NE2 3.06Å | ||
| 2527 | D | 43.2 | Very low | 53.3 | Low | 155.6 Ų | 155.6 | 81.9 Ų | 81.9 | 83% | 0.832 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -59.5 | -13.3 | -178.8 | -69.7 | -36.5 | 0 | 0 | 0 | 113.4 | K2525 | K2525-D2527 PolarHBondContact O-N 2.76Š|
| 2528 | Y | 42.4 | Very low | 56 | Low | 144.4 Ų | 144.4 | 81.2 Ų | 81.2 | 57% | 0.566 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -107.9 | 127.1 | 173.9 | -56.8 | -78.7 | 0 | 0 | 0 | 110.9 | S2526 Q2530 | S2526-Y2528 PolarHBondContact O-N 3.1Å; S2526-Y2528 PolarHBondContact OG-O 3.13Å; Y2528-Q2530 PolarHBondContact O-N 3.16Å |
| 2529 | P | 50.3 | Low | 58.7 | Low | 57.6 Ų | 57.6 | 77.3 Ų | 77.3 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 118.5 | 172.6 | 23.7 | -28.2 | 0 | 0 | 0 | 109.4 | R2446 | R2446-P2529 VanDerWaalsContact NH1-CG 3.27Š|
| 2530 | Q | 69.1 | Low | 61.4 | Low | 46.2 Ų | 46.2 | 69.2 Ų | 69.2 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.5 | 177.9 | -62.8 | -178.3 | -5.8 | 0 | 0 | 109.7 | F2440 M2522 S2526 Y2528 S2606 | F2440-Q2530 HydrophobicContact CB-CB 4.47Å; F2440-Q2530 HydrophobicContact CD1-CB 3.97Å; F2440-Q2530 VanDerWaalsContact CD1-OE1 3.26Å; F2440-Q2530 HydrophobicContact CG-CB 4.49Å; M2522-Q2530 VanDerWaalsContact CE-OE1 3.31Å; S2526-Q2530 PolarHBondContact OG-NE2 3.06Å; Y2528-Q2530 PolarHBondContact O-N 3.16Å; Q2530-S2606 VanDerWaalsContact O-CB 3.3Å; Q2530-S2606 WeakPolarHBondContact O-CB 3.45Å; Q2530-S2606 PolarHBondContact O-N 3.13Å; Q2530-S2606 VanDerWaalsContact O-N 3.09Å |
| 2531 | C | 78.6 | Confident | 64.1 | Low | 9.2 Ų | 9.2 | 66.6 Ų | 66.6 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 150.6 | 171.2 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | F2440 H2441 Y2604 | F2440-C2531 CarbonylContact C-O 3.54Å; F2440-C2531 WeakPolarHBondContact CA-O 3.39Å; H2441-C2531 PolarHBondContact N-O 3.16Å; H2441-C2531 WeakPolarHBondContact O-CB 3.34Å; H2441-C2531 PolarHBondContact O-N 3.11Å; C2531-Y2604 CarbonylContact C-O 3.51Å; C2531-Y2604 VanDerWaalsContact CA-O 3.31Å; C2531-Y2604 WeakPolarHBondContact CA-O 3.36Å; C2531-Y2604 WeakPolarHBondContact CB-O 3.37Å |
| 2532 | L | 84.5 | Confident | 67 | Low | 3.6 Ų | 3.6 | 65.4 Ų | 65.4 | 2% | 0.019 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 141.5 | 172.8 | -175 | 66.8 | 0 | 0 | 0 | 110.2 | L2439 S2534 Y2536 A2537 F2592 Y2604 L2634 V2636 | L2439-L2532 HydrophobicContact CD1-CD1 3.85Å; L2439-L2532 HydrophobicContact CG-CD1 4.26Å; L2439-L2532 CarbonylContact O-C 3.43Å; L2439-L2532 WeakPolarHBondContact O-CA 3.48Å; L2439-L2532 WeakPolarHBondContact O-CD1 3.47Å; L2532-S2534 PolarHBondContact O-N 2.97Å; L2532-Y2536 HydrophobicContact CD1-CD1 4Å; L2532-Y2536 HydrophobicContact CD1-CG 4.4Å; L2532-Y2536 HydrophobicContact CG-CD1 4.45Å; L2532-A2537 HydrophobicContact CD2-CB 3.86Å; L2532-A2537 HydrophobicContact CG-CB 4.27Å; L2532-F2592 HydrophobicContact CB-CD1 3.8Å; L2532-F2592 HydrophobicContact CB-CD2 4.4Å; L2532-F2592 HydrophobicContact CB-CE1 3.96Å; L2532-F2592 HydrophobicContact CB-CE2 4.48Å; L2532-F2592 HydrophobicContact CB-CG 4.13Å; L2532-F2592 HydrophobicContact CB-CZ 4.4Å; L2532-F2592 HydrophobicContact CD1-CD1 4.39Å; L2532-F2592 HydrophobicContact CD1-CD2 4Å; L2532-F2592 HydrophobicContact CD1-CE1 4.13Å; L2532-F2592 HydrophobicContact CD1-CE2 3.64Å; L2532-F2592 HydrophobicContact CD1-CG 4.33Å; L2532-F2592 HydrophobicContact CD1-CZ 3.7Å; L2532-F2592 HydrophobicContact CD2-CD2 4.39Å; L2532-F2592 HydrophobicContact CD2-CG 4.44Å; L2532-Y2604 HydrophobicContact CD2-CD2 4.47Å; L2532-Y2604 HydrophobicContact CD2-CG 4.26Å; L2532-Y2604 PolarHBondContact N-O 3.16Å; L2532-L2634 HydrophobicContact CD2-CD2 3.31Å; L2532-V2636 HydrophobicContact CD1-CG2 4.24Å |
| 2533 | G | 81.3 | Confident | 69.8 | Low | 0.4 Ų | 0.4 | 61.7 Ų | 61.7 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 137.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2438 L2439 H2441 V2535 Y2536 A2537 | A2438-G2533 WeakPolarHBondContact O-CA 3.3Å; L2439-G2533 PolarHBondContact O-N 3.28Å; H2441-G2533 VanDerWaalsContact CD2-CA 3.49Å; H2441-G2533 WeakPolarHBondContact CD2-CA 3.31Å; G2533-V2535 VanDerWaalsContact C-N 3.3Å; G2533-V2535 PolarHBondContact O-N 3.19Å; G2533-Y2536 PolarHBondContact O-N 3.19Å; G2533-Y2536 VanDerWaalsContact O-N 3.13Å; G2533-A2537 WeakPolarHBondContact O-CB 3.35Å; G2533-A2537 PolarHBondContact O-N 3.05Å |
| 2534 | S | 79.7 | Confident | 72.6 | Confident | 56.2 Ų | 56.2 | 52.6 Ų | 52.6 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | -177.8 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | L2532 Y2536 A2537 D2538 | L2532-S2534 PolarHBondContact O-N 2.97Å; S2534-Y2536 VanDerWaalsContact C-N 3.3Å; S2534-Y2536 PolarHBondContact O-N 3.25Å; S2534-A2537 PolarHBondContact O-N 3.22Å; S2534-D2538 VanDerWaalsContact O-CB 3.32Å; S2534-D2538 WeakPolarHBondContact O-CB 3.33Å; S2534-D2538 VanDerWaalsContact O-CG 3.23Å; S2534-D2538 PolarHBondContact O-N 3.26Å |
| 2535 | V | 81.2 | Confident | 75 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -60.2 | -41.1 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | F2363 L2434 A2437 G2533 T2539 A2540 | F2363-V2535 HydrophobicContact CB-CG1 4.47Å; F2363-V2535 HydrophobicContact CD2-CG1 4Å; F2363-V2535 HydrophobicContact CG-CG1 4.44Å; L2434-V2535 HydrophobicContact CD1-CG1 3.79Å; A2437-V2535 HydrophobicContact CB-CB 3.69Å; A2437-V2535 HydrophobicContact CB-CG1 3.87Å; A2437-V2535 HydrophobicContact CB-CG2 3.82Å; G2533-V2535 VanDerWaalsContact C-N 3.3Å; G2533-V2535 PolarHBondContact O-N 3.19Å; V2535-T2539 CarbonylContact O-C 3.52Å; V2535-T2539 WeakPolarHBondContact O-CA 3.3Å; V2535-T2539 VanDerWaalsContact O-CB 3.25Å; V2535-T2539 WeakPolarHBondContact O-CB 3.27Å; V2535-T2539 PolarHBondContact O-N 3.11Å; V2535-T2539 PolarHBondContact O-OG1 2.95Å; V2535-A2540 PolarHBondContact O-N 3.07Å |
| 2536 | Y | 85.7 | Confident | 77.5 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -72.7 | -40.3 | 176.5 | -90.6 | -84.4 | 0 | 0 | 0 | 112.5 | L2434 A2437 L2439 L2532 G2533 S2534 D2538 T2539 A2540 V2636 L2638 | L2434-Y2536 HydrophobicContact CD1-CD1 4.09Å; L2434-Y2536 HydrophobicContact CD1-CD2 3.74Å; L2434-Y2536 HydrophobicContact CD1-CE1 3.95Å; L2434-Y2536 HydrophobicContact CD1-CE2 3.74Å; L2434-Y2536 HydrophobicContact CD1-CG 4.43Å; L2434-Y2536 HydrophobicContact CG-CD2 4.34Å; L2434-Y2536 HydrophobicContact CG-CE1 4.42Å; L2434-Y2536 HydrophobicContact CG-CE2 3.88Å; L2434-Y2536 VanDerWaalsContact O-CD2 3.31Å; L2434-Y2536 WeakPolarHBondContact O-CD2 3.39Å; L2434-Y2536 VanDerWaalsContact O-CE2 3.27Å; L2434-Y2536 WeakPolarHBondContact O-CE2 3.27Å; L2434-Y2536 PolarHBondContact O-OH 3.09Å; L2434-Y2536 VanDerWaalsContact O-OH 3.1Å; A2437-Y2536 HydrophobicContact CB-CD2 4.23Å; A2437-Y2536 HydrophobicContact CB-CE2 4.16Å; L2439-Y2536 HydrophobicContact CD1-CD1 4.26Å; L2439-Y2536 HydrophobicContact CD1-CD2 4.05Å; L2439-Y2536 HydrophobicContact CD1-CE1 4.28Å; L2439-Y2536 HydrophobicContact CD1-CE2 4.1Å; L2439-Y2536 HydrophobicContact CD1-CG 4.15Å; L2532-Y2536 HydrophobicContact CD1-CD1 4Å; L2532-Y2536 HydrophobicContact CD1-CG 4.4Å; L2532-Y2536 HydrophobicContact CG-CD1 4.45Å; G2533-Y2536 PolarHBondContact O-N 3.19Å; G2533-Y2536 VanDerWaalsContact O-N 3.13Å; S2534-Y2536 VanDerWaalsContact C-N 3.3Å; S2534-Y2536 PolarHBondContact O-N 3.25Å; Y2536-D2538 PolarHBondContact O-N 3Å; Y2536-T2539 PolarHBondContact O-N 3.49Å; Y2536-A2540 HydrophobicContact CD1-CB 4.26Å; Y2536-A2540 HydrophobicContact CE1-CB 3.86Å; Y2536-A2540 WeakPolarHBondContact O-CB 3.49Å; Y2536-A2540 PolarHBondContact O-N 2.87Å; Y2536-V2636 HydrophobicContact CD1-CG1 4.08Å; Y2536-V2636 HydrophobicContact CD1-CG2 4.43Å; Y2536-V2636 HydrophobicContact CE1-CG1 4.02Å; Y2536-V2636 HydrophobicContact CE1-CG2 4.27Å; Y2536-L2638 HydrophobicContact CE1-CD1 4.09Å |
| 2537 | A | 83.8 | Confident | 80 | Confident | 17.4 Ų | 17.4 | 38.9 Ų | 38.9 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -66.7 | -44.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L2532 G2533 S2534 Y2604 | L2532-A2537 HydrophobicContact CD2-CB 3.86Å; L2532-A2537 HydrophobicContact CG-CB 4.27Å; G2533-A2537 WeakPolarHBondContact O-CB 3.35Å; G2533-A2537 PolarHBondContact O-N 3.05Å; S2534-A2537 PolarHBondContact O-N 3.22Å; A2537-Y2604 HydrophobicContact CB-CD2 3.73Å; A2537-Y2604 HydrophobicContact CB-CE2 4.29Å |
| 2538 | D | 80.6 | Confident | 82.4 | Confident | 100 Ų | 100 | 32.9 Ų | 32.9 | 54% | 0.535 | 18% | 0.175 | S | C | . | . | I | π-helix | trans | -102.5 | -32 | -168.2 | -55.8 | -34.6 | 0 | 0 | 0 | 111.9 | S2534 Y2536 H2542 | S2534-D2538 VanDerWaalsContact O-CB 3.32Å; S2534-D2538 WeakPolarHBondContact O-CB 3.33Å; S2534-D2538 VanDerWaalsContact O-CG 3.23Å; S2534-D2538 PolarHBondContact O-N 3.26Å; Y2536-D2538 PolarHBondContact O-N 3Å; D2538-H2542 PolarHBondContact O-CD2 3.06Å; D2538-H2542 VanDerWaalsContact O-CD2 3.23Å |
| 2539 | T | 85.8 | Confident | 84.7 | Confident | 23.2 Ų | 23.2 | 32.4 Ų | 32.4 | 14% | 0.142 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -104.1 | -39.4 | -170.9 | -46.2 | 0 | 0 | 0 | 0 | 113.5 | F2363 F2369 V2535 Y2536 V2541 H2542 W2543 | F2363-T2539 HydrophobicContact CB-CG2 4Å; F2363-T2539 HydrophobicContact CD1-CG2 3.53Å; F2363-T2539 VanDerWaalsContact CD1-CG2 3.45Å; F2363-T2539 HydrophobicContact CD2-CG2 4.01Å; F2363-T2539 HydrophobicContact CE1-CG2 4.08Å; F2363-T2539 HydrophobicContact CE2-CG2 4.38Å; F2363-T2539 HydrophobicContact CG-CG2 3.76Å; F2363-T2539 HydrophobicContact CZ-CG2 4.3Å; F2369-T2539 HydrophobicContact CE1-CG2 3.91Å; F2369-T2539 HydrophobicContact CZ-CG2 3.79Å; V2535-T2539 CarbonylContact O-C 3.52Å; V2535-T2539 WeakPolarHBondContact O-CA 3.3Å; V2535-T2539 VanDerWaalsContact O-CB 3.25Å; V2535-T2539 WeakPolarHBondContact O-CB 3.27Å; V2535-T2539 PolarHBondContact O-N 3.11Å; V2535-T2539 PolarHBondContact O-OG1 2.95Å; Y2536-T2539 PolarHBondContact O-N 3.49Å; T2539-V2541 PolarHBondContact O-N 3.21Å; T2539-H2542 PolarHBondContact O-N 3.12Å; T2539-H2542 VanDerWaalsContact O-N 3.15Å; T2539-W2543 HydrophobicContact CG2-CB 4.23Å; T2539-W2543 WeakPolarHBondContact O-CB 3.35Å; T2539-W2543 PolarHBondContact O-N 3.26Å |
| 2540 | A | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | -168 | 0 | 0 | 0 | 0 | 0 | 114 | L2434 V2535 Y2536 W2543 L2544 L2699 | L2434-A2540 HydrophobicContact CD1-CB 3.67Å; L2434-A2540 HydrophobicContact CD2-CB 4.1Å; V2535-A2540 PolarHBondContact O-N 3.07Å; Y2536-A2540 HydrophobicContact CD1-CB 4.26Å; Y2536-A2540 HydrophobicContact CE1-CB 3.86Å; Y2536-A2540 WeakPolarHBondContact O-CB 3.49Å; Y2536-A2540 PolarHBondContact O-N 2.87Å; A2540-W2543 PolarHBondContact O-N 3.2Å; A2540-L2544 WeakPolarHBondContact O-CB 3.29Å; A2540-L2544 VanDerWaalsContact O-CG 3.29Å; A2540-L2544 WeakPolarHBondContact O-CG 3.42Å; A2540-L2544 PolarHBondContact O-N 3.12Å; A2540-L2699 HydrophobicContact CB-CD2 4.01Å |
| 2541 | V | 91 | Very high | 87.2 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | T2539 W2543 L2544 D2545 L2634 L2699 Y2710 | T2539-V2541 PolarHBondContact O-N 3.21Å; V2541-W2543 PolarHBondContact O-N 2.94Å; V2541-L2544 PolarHBondContact O-N 3.07Å; V2541-D2545 WeakPolarHBondContact O-CB 3.3Å; V2541-D2545 PolarHBondContact O-N 3.22Å; V2541-L2634 HydrophobicContact CG2-CD1 3.83Å; V2541-L2699 HydrophobicContact CG2-CD2 3.74Å; V2541-Y2710 HydrophobicContact CG1-CE2 4.15Å |
| 2542 | H | 90.3 | Very high | 87.8 | Confident | 116.6 Ų | 116.6 | 37.4 Ų | 37.4 | 54% | 0.54 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.2 | -38 | 179.7 | -65.9 | -48.7 | 0 | 0 | 0 | 112.5 | F2369 D2538 T2539 D2545 F2546 | F2369-H2542 HydrophobicContact CE2-CB 3.85Å; F2369-H2542 HydrophobicContact CZ-CB 4.23Å; D2538-H2542 PolarHBondContact O-CD2 3.06Å; D2538-H2542 VanDerWaalsContact O-CD2 3.23Å; T2539-H2542 PolarHBondContact O-N 3.12Å; T2539-H2542 VanDerWaalsContact O-N 3.15Å; H2542-D2545 PolarHBondContact O-N 3.01Å; H2542-F2546 WeakPolarHBondContact O-CB 3.34Å; H2542-F2546 PolarHBondContact O-N 3.02Å |
| 2543 | W | 92.3 | Very high | 87.9 | Confident | 0.2 Ų | 0.2 | 38.9 Ų | 38.9 | 0% | 0.001 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 176.6 | 176.7 | -109.6 | 0 | 0 | 0 | 112.2 | F2363 F2369 L2372 I2373 F2426 A2429 T2430 T2539 A2540 V2541 F2546 G2547 | F2363-W2543 AromaticContact CE1-CD2 3.76Å; F2363-W2543 HydrophobicContact CE1-CD2 3.76Å; F2363-W2543 AromaticContact CE1-CE3 3.68Å; F2363-W2543 HydrophobicContact CE1-CE3 3.68Å; F2363-W2543 HydrophobicContact CE1-CG 4.17Å; F2363-W2543 HydrophobicContact CE1-CZ3 4.15Å; F2363-W2543 AromaticContact CZ-CD2 3.81Å; F2363-W2543 HydrophobicContact CZ-CD2 3.81Å; F2363-W2543 AromaticContact CZ-CE2 3.91Å; F2363-W2543 HydrophobicContact CZ-CE3 4.17Å; F2363-W2543 AromaticContact CZ-CG 3.98Å; F2363-W2543 HydrophobicContact CZ-CG 4.08Å; F2363-W2543 HydrophobicContact CZ-CZ2 4.43Å; F2369-W2543 HydrophobicContact CB-CE3 4.16Å; F2369-W2543 HydrophobicContact CB-CZ3 3.94Å; F2369-W2543 AromaticContact CD1-CE3 3.71Å; F2369-W2543 HydrophobicContact CD1-CE3 3.71Å; F2369-W2543 HydrophobicContact CD1-CZ3 4.03Å; F2369-W2543 HydrophobicContact CD2-CE3 4.13Å; F2369-W2543 HydrophobicContact CE1-CE3 4.08Å; F2369-W2543 HydrophobicContact CE2-CB 4.45Å; F2369-W2543 HydrophobicContact CE2-CE3 4.45Å; F2369-W2543 AromaticContact CG-CE3 3.75Å; F2369-W2543 HydrophobicContact CG-CE3 3.75Å; F2369-W2543 AromaticContact CG-CZ3 3.99Å; F2369-W2543 HydrophobicContact CG-CZ3 4Å; F2369-W2543 HydrophobicContact CZ-CB 4.28Å; F2369-W2543 HydrophobicContact CZ-CE3 4.44Å; L2372-W2543 HydrophobicContact CB-CH2 4.34Å; L2372-W2543 HydrophobicContact CB-CZ3 4.47Å; L2372-W2543 HydrophobicContact CD1-CH2 4.23Å; L2372-W2543 HydrophobicContact CD1-CZ3 3.93Å; I2373-W2543 HydrophobicContact CG2-CH2 4.12Å; F2426-W2543 HydrophobicContact CB-CZ2 4.48Å; F2426-W2543 HydrophobicContact CD2-CD2 4.48Å; F2426-W2543 AromaticContact CD2-CE2 3.69Å; F2426-W2543 AromaticContact CD2-CH2 3.74Å; F2426-W2543 HydrophobicContact CD2-CH2 3.74Å; F2426-W2543 AromaticContact CD2-CZ2 3.27Å; F2426-W2543 HydrophobicContact CD2-CZ2 3.27Å; F2426-W2543 HydrophobicContact CD2-CZ3 4.47Å; F2426-W2543 AromaticContact CE2-CD2 3.9Å; F2426-W2543 HydrophobicContact CE2-CD2 3.9Å; F2426-W2543 AromaticContact CE2-CE2 3.31Å; F2426-W2543 HydrophobicContact CE2-CE3 4.47Å; F2426-W2543 HydrophobicContact CE2-CG 4.37Å; F2426-W2543 HydrophobicContact CE2-CH2 4.13Å; F2426-W2543 AromaticContact CE2-CZ2 3.45Å; F2426-W2543 HydrophobicContact CE2-CZ2 3.45Å; F2426-W2543 VanDerWaalsContact CE2-CZ2 3.45Å; F2426-W2543 AromaticContact CE2-NE1 3.45Å; F2426-W2543 AromaticContact CG-CZ2 3.97Å; F2426-W2543 HydrophobicContact CG-CZ2 3.97Å; F2426-W2543 AromaticContact CZ-CE2 3.9Å; F2426-W2543 HydrophobicContact CZ-CZ2 4.27Å; F2426-W2543 AromaticContact CZ-NE1 3.52Å; A2429-W2543 HydrophobicContact CB-CH2 3.88Å; A2429-W2543 HydrophobicContact CB-CZ2 3.63Å; T2430-W2543 PolarHBondContact OG1-NE1 3.09Å; T2539-W2543 HydrophobicContact CG2-CB 4.23Å; T2539-W2543 WeakPolarHBondContact O-CB 3.35Å; T2539-W2543 PolarHBondContact O-N 3.26Å; A2540-W2543 PolarHBondContact O-N 3.2Å; V2541-W2543 PolarHBondContact O-N 2.94Å; W2543-F2546 HydrophobicContact CE3-CD1 4.12Å; W2543-F2546 AromaticContact CZ3-CD1 3.92Å; W2543-F2546 HydrophobicContact CZ3-CD1 3.92Å; W2543-F2546 HydrophobicContact CZ3-CE1 4.09Å; W2543-F2546 WeakPolarHBondContact O-CB 3.36Å; W2543-F2546 PolarHBondContact O-N 3.13Å; W2543-G2547 PolarHBondContact O-N 3.15Å |
| 2544 | L | 93.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.9 | -33.9 | 177.3 | -65.5 | 175 | 0 | 0 | 0 | 112.2 | F2426 A2540 V2541 F2546 G2547 S2548 V2555 L2697 L2699 Y2710 | F2426-L2544 HydrophobicContact CZ-CD2 4.37Å; A2540-L2544 WeakPolarHBondContact O-CB 3.29Å; A2540-L2544 VanDerWaalsContact O-CG 3.29Å; A2540-L2544 WeakPolarHBondContact O-CG 3.42Å; A2540-L2544 PolarHBondContact O-N 3.12Å; V2541-L2544 PolarHBondContact O-N 3.07Å; L2544-F2546 VanDerWaalsContact C-N 3.33Å; L2544-G2547 PolarHBondContact O-N 3.29Å; L2544-S2548 WeakPolarHBondContact O-CB 3.34Å; L2544-S2548 PolarHBondContact O-N 3.16Å; L2544-V2555 HydrophobicContact CB-CG1 4.42Å; L2544-V2555 HydrophobicContact CD2-CG1 4.27Å; L2544-V2555 HydrophobicContact CD2-CG2 3.86Å; L2544-L2697 HydrophobicContact CD1-CD2 4.07Å; L2544-L2699 HydrophobicContact CD1-CB 4.05Å; L2544-L2699 HydrophobicContact CD1-CD2 3.73Å; L2544-Y2710 HydrophobicContact CB-CD1 3.57Å; L2544-Y2710 HydrophobicContact CB-CE1 4.02Å; L2544-Y2710 HydrophobicContact CB-CG 3.95Å; L2544-Y2710 HydrophobicContact CD1-CD1 4.46Å; L2544-Y2710 HydrophobicContact CD1-CD2 4.47Å; L2544-Y2710 HydrophobicContact CD1-CG 3.99Å |
| 2545 | D | 92.6 | Very high | 89 | Confident | 22.6 Ų | 22.6 | 37 Ų | 37 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 168.7 | -89.1 | -24.8 | 0 | 0 | 0 | 111 | V2541 H2542 S2548 L2549 R2557 R2708 Y2710 | V2541-D2545 WeakPolarHBondContact O-CB 3.3Å; V2541-D2545 PolarHBondContact O-N 3.22Å; H2542-D2545 PolarHBondContact O-N 3.01Å; D2545-S2548 PolarHBondContact O-N 3.03Å; D2545-L2549 WeakPolarHBondContact O-CB 3.42Å; D2545-L2549 WeakPolarHBondContact O-CD1 3.14Å; D2545-L2549 WeakPolarHBondContact O-CG 3.23Å; D2545-L2549 PolarHBondContact O-N 2.98Å; D2545-R2557 VanDerWaalsContact OD1-CD 3.31Å; D2545-R2557 WeakPolarHBondContact OD1-CD 3.3Å; D2545-R2557 IonicContact OD1-CZ 2.85Å; D2545-R2557 VanDerWaalsContact OD1-CZ 3.3Å; D2545-R2557 IonicContact OD1-NE 3.66Å; D2545-R2557 PolarHBondContact OD1-NE 3.02Å; D2545-R2557 VanDerWaalsContact OD1-NE 3.11Å; D2545-R2557 IonicContact OD1-NH1 3.45Å; D2545-R2557 PolarHBondContact OD1-NH1 3.1Å; D2545-R2557 IonicContact OD1-NH2 3.62Å; D2545-R2708 IonicContact OD2-CZ 2.78Å; D2545-R2708 IonicContact OD2-NH1 3.3Å; D2545-R2708 PolarHBondContact OD2-NH1 3.12Å; D2545-Y2710 VanDerWaalsContact OD1-CE1 3.23Å; D2545-Y2710 WeakPolarHBondContact OD1-CE1 3.36Å; D2545-Y2710 VanDerWaalsContact OD1-CZ 3.29Å; D2545-Y2710 PolarHBondContact OD1-OH 3.28Å; D2545-Y2710 PolarHBondContact OD2-OH 2.97Å; D2545-Y2710 VanDerWaalsContact OD2-OH 3.11Å |
| 2546 | F | 92.2 | Very high | 89.5 | Confident | 20.8 Ų | 20.8 | 41.2 Ų | 41.2 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.9 | 174.7 | -100.6 | 0 | 0 | 0 | 112 | F2369 I2373 H2542 W2543 L2544 S2548 L2549 K2550 | F2369-F2546 HydrophobicContact CB-CD1 3.9Å; F2369-F2546 HydrophobicContact CB-CD2 4.04Å; F2369-F2546 HydrophobicContact CB-CE1 3.87Å; F2369-F2546 HydrophobicContact CB-CE2 4.01Å; F2369-F2546 HydrophobicContact CB-CG 3.97Å; F2369-F2546 HydrophobicContact CB-CZ 3.92Å; F2369-F2546 HydrophobicContact CD2-CB 3.92Å; F2369-F2546 HydrophobicContact CD2-CD1 4.49Å; F2369-F2546 HydrophobicContact CD2-CD2 4.43Å; F2369-F2546 HydrophobicContact CD2-CG 4.06Å; F2369-F2546 HydrophobicContact CG-CG 4.46Å; I2373-F2546 HydrophobicContact CD1-CE1 3.49Å; I2373-F2546 VanDerWaalsContact CD1-CE1 3.48Å; I2373-F2546 HydrophobicContact CD1-CZ 3.45Å; I2373-F2546 VanDerWaalsContact CD1-CZ 3.45Å; I2373-F2546 HydrophobicContact CG1-CE1 3.91Å; I2373-F2546 HydrophobicContact CG1-CZ 3.85Å; I2373-F2546 HydrophobicContact CG2-CE1 4.41Å; H2542-F2546 WeakPolarHBondContact O-CB 3.34Å; H2542-F2546 PolarHBondContact O-N 3.02Å; W2543-F2546 HydrophobicContact CE3-CD1 4.12Å; W2543-F2546 AromaticContact CZ3-CD1 3.92Å; W2543-F2546 HydrophobicContact CZ3-CD1 3.92Å; W2543-F2546 HydrophobicContact CZ3-CE1 4.09Å; W2543-F2546 WeakPolarHBondContact O-CB 3.36Å; W2543-F2546 PolarHBondContact O-N 3.13Å; L2544-F2546 VanDerWaalsContact C-N 3.33Å; F2546-S2548 VanDerWaalsContact C-N 3.33Å; F2546-S2548 PolarHBondContact O-N 3.26Å; F2546-L2549 WeakPolarHBondContact O-CB 3.32Å; F2546-L2549 PolarHBondContact O-N 3.27Å; F2546-L2549 VanDerWaalsContact O-N 3.17Å; F2546-K2550 HydrophobicContact CD1-CG 4.5Å; F2546-K2550 HydrophobicContact CD2-CG 4.4Å; F2546-K2550 HydrophobicContact CE1-CG 4.19Å; F2546-K2550 HydrophobicContact CE2-CD 4.39Å; F2546-K2550 HydrophobicContact CE2-CG 4.07Å; F2546-K2550 HydrophobicContact CZ-CD 4.39Å; F2546-K2550 HydrophobicContact CZ-CG 3.96Å; F2546-K2550 WeakPolarHBondContact O-CG 3.39Å; F2546-K2550 PolarHBondContact O-N 2.92Å |
| 2547 | G | 92 | Very high | 90 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W2543 L2544 K2550 N2551 C2552 | W2543-G2547 PolarHBondContact O-N 3.15Å; L2544-G2547 PolarHBondContact O-N 3.29Å; G2547-K2550 CarbonylContact O-C 3.53Å; G2547-K2550 PolarHBondContact O-N 3.22Å; G2547-N2551 PolarHBondContact O-N 3.17Å; G2547-C2552 VanDerWaalsContact O-CB 3.28Å; G2547-C2552 WeakPolarHBondContact O-CB 3.4Å; G2547-C2552 PolarHBondContact O-N 2.96Å; G2547-C2552 PolarHBondContact O-SG 2.76Å; G2547-C2552 VanDerWaalsContact O-SG 3.37Å |
| 2548 | S | 91.8 | Very high | 90.4 | Very high | 29.8 Ų | 29.8 | 44.3 Ų | 44.3 | 21% | 0.208 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 174.8 | -177 | 0 | 0 | 0 | 0 | 112.1 | L2544 D2545 F2546 K2550 N2551 R2557 | L2544-S2548 WeakPolarHBondContact O-CB 3.34Å; L2544-S2548 PolarHBondContact O-N 3.16Å; D2545-S2548 PolarHBondContact O-N 3.03Å; F2546-S2548 VanDerWaalsContact C-N 3.33Å; F2546-S2548 PolarHBondContact O-N 3.26Å; S2548-K2550 VanDerWaalsContact C-N 3.32Å; S2548-K2550 PolarHBondContact O-N 2.89Å; S2548-N2551 PolarHBondContact O-N 3.12Å; S2548-N2551 VanDerWaalsContact O-N 3.15Å; S2548-R2557 VanDerWaalsContact OG-CB 3.3Å; S2548-R2557 WeakPolarHBondContact OG-CB 3.33Å |
| 2549 | L | 90.8 | Very high | 91 | Very high | 133 Ų | 133 | 42.5 Ų | 42.5 | 70% | 0.696 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -65 | -36.3 | 177.7 | -156.5 | 99.2 | 0 | 0 | 0 | 111.8 | D2545 F2546 N2551 | D2545-L2549 WeakPolarHBondContact O-CB 3.42Å; D2545-L2549 WeakPolarHBondContact O-CD1 3.14Å; D2545-L2549 WeakPolarHBondContact O-CG 3.23Å; D2545-L2549 PolarHBondContact O-N 2.98Å; F2546-L2549 WeakPolarHBondContact O-CB 3.32Å; F2546-L2549 PolarHBondContact O-N 3.27Å; F2546-L2549 VanDerWaalsContact O-N 3.17Å; L2549-N2551 PolarHBondContact O-N 3.18Å |
| 2550 | K | 87.7 | Confident | 91.3 | Very high | 92 Ų | 92 | 42.3 Ų | 42.3 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 9.8 | 175.6 | -62.5 | -70.8 | -174.8 | 169.9 | 0 | 113.2 | D2370 I2373 F2546 G2547 S2548 C2552 | D2370-K2550 VanDerWaalsContact OD1-CE 3.25Å; D2370-K2550 WeakPolarHBondContact OD1-CE 3.22Å; D2370-K2550 IonicContact OD1-NZ 3.16Å; D2370-K2550 PolarHBondContact OD1-NZ 2.91Å; I2373-K2550 HydrophobicContact CD1-CD 4.23Å; I2373-K2550 HydrophobicContact CD1-CG 4.02Å; F2546-K2550 HydrophobicContact CD1-CG 4.5Å; F2546-K2550 HydrophobicContact CD2-CG 4.4Å; F2546-K2550 HydrophobicContact CE1-CG 4.19Å; F2546-K2550 HydrophobicContact CE2-CD 4.39Å; F2546-K2550 HydrophobicContact CE2-CG 4.07Å; F2546-K2550 HydrophobicContact CZ-CD 4.39Å; F2546-K2550 HydrophobicContact CZ-CG 3.96Å; F2546-K2550 WeakPolarHBondContact O-CG 3.39Å; F2546-K2550 PolarHBondContact O-N 2.92Å; G2547-K2550 CarbonylContact O-C 3.53Å; G2547-K2550 PolarHBondContact O-N 3.22Å; S2548-K2550 VanDerWaalsContact C-N 3.32Å; S2548-K2550 PolarHBondContact O-N 2.89Å; K2550-C2552 VanDerWaalsContact C-N 3.26Å; K2550-C2552 PolarHBondContact O-N 2.93Å |
| 2551 | N | 85.8 | Confident | 91.2 | Very high | 120.6 Ų | 120.6 | 46.8 Ų | 46.8 | 65% | 0.645 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 42.7 | -178.4 | -64.9 | -36.5 | 0 | 0 | 0 | 112.9 | R2423 G2547 S2548 L2549 S2553 | R2423-N2551 PolarHBondContact NE-O 3.05Å; R2423-N2551 VanDerWaalsContact NE-O 3.14Å; R2423-N2551 PolarHBondContact NH2-O 3.25Å; R2423-N2551 VanDerWaalsContact NH2-O 3.08Å; G2547-N2551 PolarHBondContact O-N 3.17Å; S2548-N2551 PolarHBondContact O-N 3.12Å; S2548-N2551 VanDerWaalsContact O-N 3.15Å; L2549-N2551 PolarHBondContact O-N 3.18Å; N2551-S2553 PolarHBondContact O-N 3.06Å |
| 2552 | C | 89.7 | Confident | 91.1 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | trans | -67.8 | 118.9 | 173 | -68.9 | 0 | 0 | 0 | 0 | 109.7 | R2423 F2426 G2547 K2550 S2554 V2555 | R2423-C2552 HydrophobicContact CG-CB 4.48Å; F2426-C2552 HydrophobicContact CD1-CB 4.05Å; F2426-C2552 HydrophobicContact CE1-CB 4.35Å; F2426-C2552 HydrophobicContact CG-CB 4.33Å; F2426-C2552 VanDerWaalsContact CG-SG 3.58Å; G2547-C2552 VanDerWaalsContact O-CB 3.28Å; G2547-C2552 WeakPolarHBondContact O-CB 3.4Å; G2547-C2552 PolarHBondContact O-N 2.96Å; G2547-C2552 PolarHBondContact O-SG 2.76Å; G2547-C2552 VanDerWaalsContact O-SG 3.37Å; K2550-C2552 VanDerWaalsContact C-N 3.26Å; K2550-C2552 PolarHBondContact O-N 2.93Å; C2552-S2554 PolarHBondContact O-N 3.08Å; C2552-S2554 VanDerWaalsContact O-N 3.1Å; C2552-V2555 PolarHBondContact O-N 3.27Å; C2552-V2555 VanDerWaalsContact O-N 3.1Å | ||
| 2553 | S | 86.5 | Confident | 90.7 | Very high | 34.4 Ų | 34.4 | 45.1 Ų | 45.1 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.6 | -174.1 | 76 | 0 | 0 | 0 | 0 | 113.3 | H2281 N2551 K2675 | H2281-S2553 PolarHBondContact CE1-OG 3.08Å; H2281-S2553 PolarHBondContact ND1-OG 2.92Å; N2551-S2553 PolarHBondContact O-N 3.06Å; S2553-K2675 PolarHBondContact O-NZ 3.12Å; S2553-K2675 PolarHBondContact OG-NZ 2.88Å |
| 2554 | S | 91 | Very high | 90.1 | Very high | 3.8 Ų | 3.8 | 46 Ų | 46 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -15.5 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 113.6 | D2427 C2552 R2694 Y2712 N2713 | D2427-S2554 VanDerWaalsContact CG-OG 3.27Å; D2427-S2554 WeakPolarHBondContact OD1-CB 3.39Å; D2427-S2554 PolarHBondContact OD1-OG 3.09Å; D2427-S2554 VanDerWaalsContact OD1-OG 3.07Å; D2427-S2554 PolarHBondContact OD2-OG 3.21Å; C2552-S2554 PolarHBondContact O-N 3.08Å; C2552-S2554 VanDerWaalsContact O-N 3.1Å; S2554-R2694 PolarHBondContact OG-NH2 3.41Å; S2554-Y2712 VanDerWaalsContact CB-CE2 3.49Å; S2554-Y2712 CarbonylContact O-C 3.52Å; S2554-Y2712 VanDerWaalsContact O-CA 3.26Å; S2554-Y2712 WeakPolarHBondContact O-CA 3.24Å; S2554-Y2712 WeakPolarHBondContact O-CD2 3.42Å; S2554-N2713 PolarHBondContact O-N 2.88Å |
| 2555 | V | 93.5 | Very high | 89.2 | Confident | 14.6 Ų | 14.6 | 47.8 Ų | 47.8 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.7 | -176.3 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | F2426 L2544 C2552 A2711 Y2712 | F2426-V2555 HydrophobicContact CE1-CG2 3.45Å; F2426-V2555 VanDerWaalsContact CE1-CG2 3.45Å; F2426-V2555 HydrophobicContact CZ-CG2 3.71Å; L2544-V2555 HydrophobicContact CB-CG1 4.42Å; L2544-V2555 HydrophobicContact CD2-CG1 4.27Å; L2544-V2555 HydrophobicContact CD2-CG2 3.86Å; C2552-V2555 PolarHBondContact O-N 3.27Å; C2552-V2555 VanDerWaalsContact O-N 3.1Å; V2555-A2711 WeakPolarHBondContact CA-O 3.43Å; V2555-Y2712 HydrophobicContact CG2-CD2 3.8Å; V2555-Y2712 HydrophobicContact CG2-CE2 4.41Å |
| 2556 | R | 93.1 | Very high | 88.3 | Confident | 109 Ų | 109 | 50 Ų | 50 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123 | 167.6 | -179.3 | 69.5 | 176.5 | 129.6 | 5.6 | 109.3 | I2558 Y2710 A2711 N2719 E2723 | R2556-I2558 HydrophobicContact CG-CD1 4.3Å; R2556-I2558 HydrophobicContact CG-CG1 4.15Å; R2556-Y2710 CarbonylContact O-C 3.53Å; R2556-Y2710 VanDerWaalsContact O-CA 3.3Å; R2556-Y2710 WeakPolarHBondContact O-CA 3.36Å; R2556-A2711 HydrophobicContact CB-CB 4.49Å; R2556-A2711 PolarHBondContact N-O 3.1Å; R2556-A2711 PolarHBondContact O-N 3.07Å; R2556-N2719 HydrophobicContact CG-CB 4.06Å; R2556-E2723 IonicContact CZ-OE2 3.36Å; R2556-E2723 IonicContact NH2-OE2 3.41Å; R2556-E2723 PolarHBondContact NH2-OE2 3.07Å; R2556-E2723 VanDerWaalsContact NH2-OE2 3.13Å |
| 2557 | R | 94.2 | Very high | 87.3 | Confident | 75.6 Ų | 75.6 | 50.9 Ų | 50.9 | 29% | 0.285 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 131.3 | 171.7 | 179.6 | -175.2 | 173 | -154.8 | -1.7 | 110.1 | D2545 S2548 V2559 E2706 L2709 Y2710 | D2545-R2557 VanDerWaalsContact OD1-CD 3.31Å; D2545-R2557 WeakPolarHBondContact OD1-CD 3.3Å; D2545-R2557 IonicContact OD1-CZ 2.85Å; D2545-R2557 VanDerWaalsContact OD1-CZ 3.3Å; D2545-R2557 IonicContact OD1-NE 3.66Å; D2545-R2557 PolarHBondContact OD1-NE 3.02Å; D2545-R2557 VanDerWaalsContact OD1-NE 3.11Å; D2545-R2557 IonicContact OD1-NH1 3.45Å; D2545-R2557 PolarHBondContact OD1-NH1 3.1Å; D2545-R2557 IonicContact OD1-NH2 3.62Å; S2548-R2557 VanDerWaalsContact OG-CB 3.3Å; S2548-R2557 WeakPolarHBondContact OG-CB 3.33Å; R2557-V2559 HydrophobicContact CG-CG2 4.16Å; R2557-E2706 IonicContact NH2-OE1 3.14Å; R2557-E2706 PolarHBondContact NH2-OE1 3.07Å; R2557-L2709 CarbonylContact C-O 3.57Å; R2557-L2709 WeakPolarHBondContact CA-O 3.38Å; R2557-Y2710 HydrophobicContact CB-CD1 4.08Å; R2557-Y2710 HydrophobicContact CB-CE1 4.12Å; R2557-Y2710 HydrophobicContact CG-CD1 4.07Å; R2557-Y2710 HydrophobicContact CG-CE1 3.67Å |
| 2558 | I | 92.6 | Very high | 86.7 | Confident | 7.8 Ų | 7.8 | 51.1 Ų | 51.1 | 4% | 0.04 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.2 | 175.6 | -55.8 | 157.1 | 0 | 0 | 0 | 107.6 | R2556 F2560 R2708 L2709 E2723 | R2556-I2558 HydrophobicContact CG-CD1 4.3Å; R2556-I2558 HydrophobicContact CG-CG1 4.15Å; I2558-F2560 HydrophobicContact CB-CE2 4.3Å; I2558-F2560 HydrophobicContact CG2-CD2 4.2Å; I2558-F2560 HydrophobicContact CG2-CE1 4.1Å; I2558-F2560 HydrophobicContact CG2-CE2 3.4Å; I2558-F2560 VanDerWaalsContact CG2-CE2 3.44Å; I2558-F2560 HydrophobicContact CG2-CZ 3.35Å; I2558-R2708 WeakPolarHBondContact O-CA 3.38Å; I2558-L2709 HydrophobicContact CB-CB 4.37Å; I2558-L2709 HydrophobicContact CD1-CD2 3.98Å; I2558-L2709 PolarHBondContact N-O 3.28Å; I2558-L2709 PolarHBondContact O-N 3.12Å; I2558-E2723 HydrophobicContact CD1-CB 3.83Å; I2558-E2723 HydrophobicContact CD1-CG 4.26Å; I2558-E2723 HydrophobicContact CG2-CB 4.48Å; I2558-E2723 HydrophobicContact CG2-CG 3.85Å |
| 2559 | V | 93.5 | Very high | 86.1 | Confident | 62.2 Ų | 62.2 | 50.5 Ų | 50.5 | 38% | 0.377 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.3 | -176.4 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | R2557 E2706 L2707 R2708 | R2557-V2559 HydrophobicContact CG-CG2 4.16Å; V2559-E2706 HydrophobicContact CG1-CG 3.57Å; V2559-E2706 VanDerWaalsContact CG1-OE1 3.23Å; V2559-E2706 WeakPolarHBondContact CG1-OE1 3.37Å; V2559-L2707 CarbonylContact C-O 3.4Å; V2559-L2707 WeakPolarHBondContact CA-O 3.31Å; V2559-R2708 HydrophobicContact CG1-CG 4.35Å; V2559-R2708 HydrophobicContact CG2-CG 4.28Å |
| 2560 | F | 92 | Very high | 85.5 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.4 | 174.6 | -50.7 | -88.9 | 0 | 0 | 0 | 110.1 | I2558 L2707 E2723 I2726 K2727 V2730 | I2558-F2560 HydrophobicContact CB-CE2 4.3Å; I2558-F2560 HydrophobicContact CG2-CD2 4.2Å; I2558-F2560 HydrophobicContact CG2-CE1 4.1Å; I2558-F2560 HydrophobicContact CG2-CE2 3.4Å; I2558-F2560 VanDerWaalsContact CG2-CE2 3.44Å; I2558-F2560 HydrophobicContact CG2-CZ 3.35Å; F2560-L2707 HydrophobicContact CB-CB 4.23Å; F2560-L2707 HydrophobicContact CB-CD2 4.31Å; F2560-L2707 HydrophobicContact CD2-CD2 3.51Å; F2560-L2707 VanDerWaalsContact CD2-CD2 3.44Å; F2560-L2707 HydrophobicContact CE2-CD2 4.2Å; F2560-L2707 HydrophobicContact CG-CD2 4.25Å; F2560-L2707 PolarHBondContact N-O 2.99Å; F2560-L2707 PolarHBondContact O-N 3.16Å; F2560-E2723 HydrophobicContact CZ-CG 4.21Å; F2560-I2726 HydrophobicContact CD2-CG2 3.94Å; F2560-I2726 HydrophobicContact CE1-CG2 4.38Å; F2560-I2726 HydrophobicContact CE2-CB 4.12Å; F2560-I2726 HydrophobicContact CE2-CG2 3.51Å; F2560-I2726 HydrophobicContact CG-CG2 4.5Å; F2560-I2726 HydrophobicContact CZ-CB 4.08Å; F2560-I2726 HydrophobicContact CZ-CG2 3.86Å; F2560-K2727 HydrophobicContact CD1-CB 4.45Å; F2560-K2727 HydrophobicContact CE1-CB 3.69Å; F2560-K2727 HydrophobicContact CE1-CG 4.11Å; F2560-K2727 HydrophobicContact CZ-CB 4.39Å; F2560-V2730 HydrophobicContact CB-CG1 4.25Å; F2560-V2730 HydrophobicContact CB-CG2 4.09Å; F2560-V2730 HydrophobicContact CD1-CG2 4.48Å; F2560-V2730 HydrophobicContact CG-CG2 4.26Å |
| 2561 | T | 89.4 | Confident | 85.4 | Confident | 94 Ų | 94 | 40.6 Ų | 40.6 | 58% | 0.577 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.7 | -179.3 | -31.5 | 0 | 0 | 0 | 0 | 110.8 | Y2705 N2734 | T2561-Y2705 CarbonylContact C-O 3.56Å; T2561-Y2705 WeakPolarHBondContact CA-O 3.29Å; T2561-N2734 PolarHBondContact O-ND2 3.24Å; T2561-N2734 VanDerWaalsContact O-ND2 3.12Å |
| 2562 | L | 87 | Confident | 85.5 | Confident | 5.2 Ų | 5.2 | 34.9 Ų | 34.9 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | trans | -95.2 | 145.5 | 175.3 | -55.7 | -173.1 | 0 | 0 | 0 | 110.5 | R2568 L2571 L2702 Y2705 V2730 Y2733 | L2562-R2568 HydrophobicContact CD1-CG 4.13Å; L2562-L2571 HydrophobicContact CD1-CD2 3.94Å; L2562-L2571 HydrophobicContact CD2-CD2 3.58Å; L2562-L2571 HydrophobicContact CG-CD2 4.44Å; L2562-L2702 HydrophobicContact CD1-CD1 3.57Å; L2562-L2702 HydrophobicContact CD1-CD2 4.31Å; L2562-L2702 HydrophobicContact CG-CD1 4.36Å; L2562-Y2705 PolarHBondContact N-O 3.21Å; L2562-Y2705 WeakPolarHBondContact O-CD1 3.47Å; L2562-V2730 HydrophobicContact CD2-CG1 3.93Å; L2562-V2730 HydrophobicContact CD2-CG2 4.4Å; L2562-Y2733 HydrophobicContact CB-CE1 4.11Å; L2562-Y2733 HydrophobicContact CD1-CE1 4.24Å; L2562-Y2733 HydrophobicContact CD2-CD1 3.91Å; L2562-Y2733 HydrophobicContact CD2-CE1 4.08Å; L2562-Y2733 HydrophobicContact CG-CE1 4.37Å | ||
| 2563 | Q | 82.1 | Confident | 85.3 | Confident | 95 Ų | 95 | 35.3 Ų | 35.3 | 44% | 0.444 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -88.3 | -10.6 | 177.5 | -69.6 | -178.5 | -22.5 | 0 | 0 | 113.9 | N2734 I2737 | Q2563-N2734 HydrophobicContact CG-CB 4.23Å; Q2563-N2734 PolarHBondContact N-OD1 3.18Å; Q2563-N2734 PolarHBondContact OE1-O 3.28Å; Q2563-I2737 HydrophobicContact CB-CG2 4.36Å |
| 2564 | S | 79.9 | Confident | 85.3 | Confident | 19.6 Ų | 19.6 | 35.1 Ų | 35.1 | 14% | 0.137 | 18% | 0.184 | C | C | . | . | trans | -154.6 | 165.3 | -178.9 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | L2566 Y2733 I2737 | S2564-L2566 WeakPolarHBondContact OG-CG 3.42Å; S2564-L2566 PolarHBondContact OG-N 3.08Å; S2564-Y2733 PolarHBondContact O-OH 2.98Å; S2564-I2737 VanDerWaalsContact CB-CG2 3.47Å | ||
| 2565 | N | 74.5 | Confident | 85.3 | Confident | 37.8 Ų | 37.8 | 34.9 Ų | 34.9 | 20% | 0.202 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -97.1 | -2.5 | 173.9 | -68 | -33.5 | 0 | 0 | 0 | 113.6 | R2568 A2629 G2704 Y2705 | N2565-R2568 WeakPolarHBondContact O-CG 3.41Å; N2565-R2568 PolarHBondContact O-NE 3.09Å; N2565-A2629 HydrophobicContact CB-CB 4.26Å; N2565-G2704 PolarHBondContact OD1-O 3.27Å; N2565-Y2705 VanDerWaalsContact ND2-CZ 3.33Å; N2565-Y2705 PolarHBondContact ND2-OH 3.09Å; N2565-Y2705 WeakPolarHBondContact OD1-CD1 3.21Å; N2565-Y2705 VanDerWaalsContact OD1-CE1 3.28Å; N2565-Y2705 WeakPolarHBondContact OD1-CE1 3.36Å |
| 2566 | L | 73.7 | Confident | 85.1 | Confident | 69.4 Ų | 69.4 | 37.2 Ų | 37.2 | 36% | 0.363 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 139.1 | -177.7 | -67.5 | 169.6 | 0 | 0 | 0 | 111.5 | S2564 R2568 Y2733 I2737 L2740 | S2564-L2566 WeakPolarHBondContact OG-CG 3.42Å; S2564-L2566 PolarHBondContact OG-N 3.08Å; L2566-R2568 VanDerWaalsContact C-N 3.26Å; L2566-R2568 PolarHBondContact O-N 3.2Å; L2566-Y2733 VanDerWaalsContact O-CE2 3.3Å; L2566-Y2733 WeakPolarHBondContact O-CE2 3.34Å; L2566-Y2733 PolarHBondContact O-OH 2.94Å; L2566-I2737 HydrophobicContact CB-CD1 4.04Å; L2566-I2737 HydrophobicContact CD1-CD1 4.44Å; L2566-L2740 HydrophobicContact CD1-CD2 3.92Å |
| 2567 | S | 72.1 | Confident | 84.9 | Confident | 39.6 Ų | 39.6 | 35.7 Ų | 35.7 | 28% | 0.277 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 22.2 | 173 | 66.7 | 0 | 0 | 0 | 0 | 116.7 | G2569 A2570 R2736 D2821 | S2567-G2569 PolarHBondContact O-N 2.95Å; S2567-G2569 VanDerWaalsContact O-N 3.13Å; S2567-A2570 PolarHBondContact O-N 3.19Å; S2567-A2570 VanDerWaalsContact O-N 3.15Å; S2567-R2736 PolarHBondContact OG-NH1 2.84Å; S2567-R2736 PolarHBondContact OG-NH2 2.95Å; S2567-D2821 WeakPolarHBondContact CB-OD1 3.3Å; S2567-D2821 VanDerWaalsContact CB-OD2 3.24Å; S2567-D2821 WeakPolarHBondContact CB-OD2 3.44Å; S2567-D2821 PolarHBondContact OG-OD1 2.96Å |
| 2568 | R | 80.1 | Confident | 84.7 | Confident | 5.4 Ų | 5.4 | 32.6 Ų | 32.6 | 2% | 0.02 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.4 | -30.3 | -179.5 | -70.9 | -174.5 | -59.4 | 151.9 | 12.8 | 113.7 | L2562 N2565 L2566 A2570 L2571 V2572 F2628 A2629 A2631 L2702 G2704 | L2562-R2568 HydrophobicContact CD1-CG 4.13Å; N2565-R2568 WeakPolarHBondContact O-CG 3.41Å; N2565-R2568 PolarHBondContact O-NE 3.09Å; L2566-R2568 VanDerWaalsContact C-N 3.26Å; L2566-R2568 PolarHBondContact O-N 3.2Å; R2568-A2570 VanDerWaalsContact C-N 3.32Å; R2568-A2570 PolarHBondContact O-N 3.22Å; R2568-L2571 WeakPolarHBondContact O-CB 3.38Å; R2568-L2571 PolarHBondContact O-N 3.24Å; R2568-L2571 VanDerWaalsContact O-N 3.16Å; R2568-V2572 VanDerWaalsContact O-CG2 3.31Å; R2568-V2572 WeakPolarHBondContact O-CG2 3.31Å; R2568-V2572 PolarHBondContact O-N 3.01Å; R2568-F2628 PolarHBondContact NH2-O 3.18Å; R2568-A2629 PolarHBondContact NH2-O 3.23Å; R2568-A2629 VanDerWaalsContact NH2-O 3.13Å; R2568-A2631 PolarHBondContact NH1-O 3.27Å; R2568-A2631 PolarHBondContact NH2-O 3.17Å; R2568-L2702 HydrophobicContact CB-CD2 4.06Å; R2568-L2702 HydrophobicContact CG-CD2 4.37Å; R2568-G2704 PolarHBondContact NH1-O 2.95Å |
| 2569 | G | 78.7 | Confident | 84.7 | Confident | 16.6 Ų | 16.6 | 32.3 Ų | 32.3 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | S2567 L2571 V2572 E2573 W2607 | S2567-G2569 PolarHBondContact O-N 2.95Å; S2567-G2569 VanDerWaalsContact O-N 3.13Å; G2569-L2571 VanDerWaalsContact C-N 3.35Å; G2569-L2571 PolarHBondContact O-N 3.17Å; G2569-V2572 PolarHBondContact O-N 3.18Å; G2569-E2573 WeakPolarHBondContact O-CB 3.49Å; G2569-E2573 PolarHBondContact O-N 3.27Å; G2569-W2607 VanDerWaalsContact O-CH2 3.28Å; G2569-W2607 WeakPolarHBondContact O-CH2 3.44Å |
| 2570 | A | 78.3 | Confident | 84.6 | Confident | 14.8 Ų | 14.8 | 32 Ų | 32 | 12% | 0.122 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.1 | -38.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S2567 R2568 E2573 E2574 Y2609 A2777 | S2567-A2570 PolarHBondContact O-N 3.19Å; S2567-A2570 VanDerWaalsContact O-N 3.15Å; R2568-A2570 VanDerWaalsContact C-N 3.32Å; R2568-A2570 PolarHBondContact O-N 3.22Å; A2570-E2573 PolarHBondContact O-N 3.08Å; A2570-E2574 WeakPolarHBondContact O-CB 3.36Å; A2570-E2574 PolarHBondContact O-N 2.88Å; A2570-Y2609 HydrophobicContact CB-CE2 4.03Å; A2570-A2777 HydrophobicContact CB-CB 3.36Å; A2570-A2777 VanDerWaalsContact CB-CB 3.41Å |
| 2571 | L | 85 | Confident | 84.4 | Confident | 2.4 Ų | 2.4 | 38.7 Ų | 38.7 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.6 | 175.5 | 65.9 | 0 | 0 | 0 | 111.8 | L2562 R2568 G2569 E2573 E2574 C2575 L2707 S2729 Y2733 | L2562-L2571 HydrophobicContact CD1-CD2 3.94Å; L2562-L2571 HydrophobicContact CD2-CD2 3.58Å; L2562-L2571 HydrophobicContact CG-CD2 4.44Å; R2568-L2571 WeakPolarHBondContact O-CB 3.38Å; R2568-L2571 PolarHBondContact O-N 3.24Å; R2568-L2571 VanDerWaalsContact O-N 3.16Å; G2569-L2571 VanDerWaalsContact C-N 3.35Å; G2569-L2571 PolarHBondContact O-N 3.17Å; L2571-E2573 VanDerWaalsContact C-N 3.31Å; L2571-E2573 PolarHBondContact O-N 2.94Å; L2571-E2574 PolarHBondContact O-N 3.01Å; L2571-C2575 WeakPolarHBondContact O-CB 3.35Å; L2571-C2575 PolarHBondContact O-N 3.28Å; L2571-C2575 PolarHBondContact O-SG 3.15Å; L2571-L2707 HydrophobicContact CD2-CD1 4.41Å; L2571-S2729 WeakPolarHBondContact CD1-OG 3.37Å; L2571-Y2733 HydrophobicContact CB-CD2 4.02Å; L2571-Y2733 HydrophobicContact CB-CE2 4.41Å; L2571-Y2733 HydrophobicContact CB-CG 4.46Å; L2571-Y2733 HydrophobicContact CD2-CD1 4.19Å; L2571-Y2733 HydrophobicContact CD2-CD2 4.14Å; L2571-Y2733 HydrophobicContact CD2-CG 3.94Å |
| 2572 | V | 87.6 | Confident | 84.3 | Confident | 0.2 Ų | 0.2 | 35.5 Ų | 35.5 | 0% | 0.001 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 177.7 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | R2568 G2569 C2575 R2576 W2607 F2633 I2635 F2700 L2702 | R2568-V2572 VanDerWaalsContact O-CG2 3.31Å; R2568-V2572 WeakPolarHBondContact O-CG2 3.31Å; R2568-V2572 PolarHBondContact O-N 3.01Å; G2569-V2572 PolarHBondContact O-N 3.18Å; V2572-C2575 PolarHBondContact O-N 3.14Å; V2572-R2576 WeakPolarHBondContact O-CB 3.42Å; V2572-R2576 PolarHBondContact O-N 3.02Å; V2572-W2607 HydrophobicContact CB-CH2 4.39Å; V2572-W2607 HydrophobicContact CB-CZ3 4.28Å; V2572-W2607 HydrophobicContact CG1-CE3 4.33Å; V2572-W2607 HydrophobicContact CG1-CH2 4.38Å; V2572-W2607 HydrophobicContact CG1-CZ3 3.79Å; V2572-F2633 HydrophobicContact CG1-CB 4.1Å; V2572-F2633 HydrophobicContact CG1-CD1 4.16Å; V2572-F2633 HydrophobicContact CG1-CG 4.27Å; V2572-F2633 HydrophobicContact CG2-CB 3.96Å; V2572-F2633 HydrophobicContact CG2-CD1 4.27Å; V2572-F2633 HydrophobicContact CG2-CD2 4.02Å; V2572-F2633 HydrophobicContact CG2-CG 3.83Å; V2572-I2635 HydrophobicContact CG1-CD1 3.97Å; V2572-I2635 HydrophobicContact CG1-CG1 4.28Å; V2572-F2700 HydrophobicContact CG2-CE1 4.31Å; V2572-L2702 HydrophobicContact CG2-CD2 3.49Å; V2572-L2702 VanDerWaalsContact CG2-CD2 3.46Å |
| 2573 | E | 86.2 | Confident | 84.2 | Confident | 14.8 Ų | 14.8 | 35.3 Ų | 35.3 | 7% | 0.069 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | 176.2 | -173.7 | 59.9 | -158.6 | 0 | 0 | 112.2 | G2569 A2570 L2571 C2575 R2576 E2577 W2607 Y2609 | G2569-E2573 WeakPolarHBondContact O-CB 3.49Å; G2569-E2573 PolarHBondContact O-N 3.27Å; A2570-E2573 PolarHBondContact O-N 3.08Å; L2571-E2573 VanDerWaalsContact C-N 3.31Å; L2571-E2573 PolarHBondContact O-N 2.94Å; E2573-C2575 VanDerWaalsContact C-N 3.33Å; E2573-C2575 PolarHBondContact O-N 2.98Å; E2573-R2576 VanDerWaalsContact CD-NE 3.33Å; E2573-R2576 WeakPolarHBondContact O-CB 3.38Å; E2573-R2576 PolarHBondContact O-N 3.12Å; E2573-R2576 VanDerWaalsContact O-N 3.14Å; E2573-R2576 IonicContact OE1-CZ 3.25Å; E2573-R2576 VanDerWaalsContact OE1-CZ 3.28Å; E2573-R2576 IonicContact OE1-NE 3.5Å; E2573-R2576 PolarHBondContact OE1-NE 3.11Å; E2573-R2576 VanDerWaalsContact OE1-NE 3.1Å; E2573-R2576 IonicContact OE1-NH2 3.43Å; E2573-R2576 PolarHBondContact OE1-NH2 2.88Å; E2573-R2576 IonicContact OE2-CZ 3.37Å; E2573-R2576 IonicContact OE2-NE 3.13Å; E2573-R2576 PolarHBondContact OE2-NE 2.97Å; E2573-R2576 IonicContact OE2-NH1 3.62Å; E2573-R2576 PolarHBondContact OE2-NH1 3.1Å; E2573-R2576 IonicContact OE2-NH2 3.22Å; E2573-R2576 PolarHBondContact OE2-NH2 3.28Å; E2573-R2576 VanDerWaalsContact OE2-NH2 3.1Å; E2573-E2577 WeakPolarHBondContact O-CG 3.2Å; E2573-E2577 PolarHBondContact O-N 3.18Å; E2573-W2607 HydrophobicContact CB-CH2 4.28Å; E2573-W2607 HydrophobicContact CB-CZ3 4.4Å; E2573-Y2609 HydrophobicContact CB-CD1 4.22Å; E2573-Y2609 HydrophobicContact CB-CD2 4.11Å; E2573-Y2609 HydrophobicContact CB-CG 3.77Å; E2573-Y2609 HydrophobicContact CG-CD1 3.84Å; E2573-Y2609 HydrophobicContact CG-CG 3.75Å; E2573-Y2609 VanDerWaalsContact OE2-CB 3.27Å; E2573-Y2609 WeakPolarHBondContact OE2-CB 3.45Å |
| 2574 | E | 86.6 | Confident | 84.2 | Confident | 29.4 Ų | 29.4 | 31.7 Ų | 31.7 | 14% | 0.137 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 174.1 | -171.8 | -174.7 | 158.6 | 0 | 0 | 111 | A2570 L2571 R2576 E2577 I2578 S2729 R2732 A2777 R2779 | A2570-E2574 WeakPolarHBondContact O-CB 3.36Å; A2570-E2574 PolarHBondContact O-N 2.88Å; L2571-E2574 PolarHBondContact O-N 3.01Å; E2574-R2576 VanDerWaalsContact C-N 3.33Å; E2574-R2576 PolarHBondContact O-N 2.88Å; E2574-E2577 PolarHBondContact O-N 3.1Å; E2574-I2578 HydrophobicContact CG-CD1 4.05Å; E2574-I2578 VanDerWaalsContact O-CG1 3.26Å; E2574-I2578 WeakPolarHBondContact O-CG1 3.34Å; E2574-I2578 PolarHBondContact O-N 3.01Å; E2574-S2729 VanDerWaalsContact CD-OG 3.28Å; E2574-S2729 VanDerWaalsContact OE1-CB 3.32Å; E2574-S2729 WeakPolarHBondContact OE1-CB 3.34Å; E2574-S2729 PolarHBondContact OE1-OG 3.1Å; E2574-S2729 PolarHBondContact OE2-OG 3.19Å; E2574-R2732 VanDerWaalsContact CD-NH1 3.31Å; E2574-R2732 IonicContact OE1-CZ 3.43Å; E2574-R2732 IonicContact OE1-NH1 2.67Å; E2574-R2732 PolarHBondContact OE1-NH1 3.14Å; E2574-R2732 IonicContact OE1-NH2 2.87Å; E2574-R2732 IonicContact OE2-NH1 3.19Å; E2574-R2732 PolarHBondContact OE2-NH1 3.32Å; E2574-A2777 VanDerWaalsContact OE2-O 3.09Å; E2574-R2779 PolarHBondContact OE2-N 3.5Å; E2574-R2779 VanDerWaalsContact OE2-N 3.1Å |
| 2575 | C | 90.5 | Very high | 84 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 175.3 | -71.4 | 0 | 0 | 0 | 0 | 111.6 | L2571 V2572 E2573 E2577 I2578 I2579 F2700 | L2571-C2575 WeakPolarHBondContact O-CB 3.35Å; L2571-C2575 PolarHBondContact O-N 3.28Å; L2571-C2575 PolarHBondContact O-SG 3.15Å; V2572-C2575 PolarHBondContact O-N 3.14Å; E2573-C2575 VanDerWaalsContact C-N 3.33Å; E2573-C2575 PolarHBondContact O-N 2.98Å; C2575-E2577 VanDerWaalsContact C-N 3.35Å; C2575-E2577 PolarHBondContact O-N 2.99Å; C2575-I2578 PolarHBondContact O-N 3.15Å; C2575-I2579 WeakPolarHBondContact O-CB 3.37Å; C2575-I2579 WeakPolarHBondContact O-CD1 3.42Å; C2575-I2579 WeakPolarHBondContact O-CG1 3.34Å; C2575-I2579 PolarHBondContact O-N 3.12Å; C2575-F2700 HydrophobicContact CB-CD2 4.36Å; C2575-F2700 HydrophobicContact CB-CE2 3.69Å; C2575-F2700 HydrophobicContact CB-CZ 4.01Å |
| 2576 | R | 90.1 | Very high | 83.9 | Confident | 64.2 Ų | 64.2 | 40.3 Ų | 40.3 | 24% | 0.242 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 175.8 | -169 | -175.2 | 77 | 118.5 | 5.1 | 111.3 | V2572 E2573 E2574 I2579 Q2580 C2589 I2635 | V2572-R2576 WeakPolarHBondContact O-CB 3.42Å; V2572-R2576 PolarHBondContact O-N 3.02Å; E2573-R2576 VanDerWaalsContact CD-NE 3.33Å; E2573-R2576 WeakPolarHBondContact O-CB 3.38Å; E2573-R2576 PolarHBondContact O-N 3.12Å; E2573-R2576 VanDerWaalsContact O-N 3.14Å; E2573-R2576 IonicContact OE1-CZ 3.25Å; E2573-R2576 VanDerWaalsContact OE1-CZ 3.28Å; E2573-R2576 IonicContact OE1-NE 3.5Å; E2573-R2576 PolarHBondContact OE1-NE 3.11Å; E2573-R2576 VanDerWaalsContact OE1-NE 3.1Å; E2573-R2576 IonicContact OE1-NH2 3.43Å; E2573-R2576 PolarHBondContact OE1-NH2 2.88Å; E2573-R2576 IonicContact OE2-CZ 3.37Å; E2573-R2576 IonicContact OE2-NE 3.13Å; E2573-R2576 PolarHBondContact OE2-NE 2.97Å; E2573-R2576 IonicContact OE2-NH1 3.62Å; E2573-R2576 PolarHBondContact OE2-NH1 3.1Å; E2573-R2576 IonicContact OE2-NH2 3.22Å; E2573-R2576 PolarHBondContact OE2-NH2 3.28Å; E2573-R2576 VanDerWaalsContact OE2-NH2 3.1Å; E2574-R2576 VanDerWaalsContact C-N 3.33Å; E2574-R2576 PolarHBondContact O-N 2.88Å; R2576-I2579 PolarHBondContact O-N 3.35Å; R2576-Q2580 VanDerWaalsContact O-CB 3.24Å; R2576-Q2580 WeakPolarHBondContact O-CB 3.29Å; R2576-Q2580 PolarHBondContact O-N 3.13Å; R2576-C2589 HydrophobicContact CG-CB 4.27Å; R2576-I2635 HydrophobicContact CB-CD1 3.78Å; R2576-I2635 HydrophobicContact CG-CD1 4.29Å; R2576-I2635 HydrophobicContact CG-CG2 4.19Å |
| 2577 | E | 89.1 | Confident | 84.4 | Confident | 77.2 Ų | 77.2 | 37 Ų | 37 | 36% | 0.361 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.3 | -41.2 | 177.8 | -71.9 | -173.7 | 168.8 | 0 | 0 | 112.4 | E2573 E2574 C2575 Q2580 R2581 K2778 | E2573-E2577 WeakPolarHBondContact O-CG 3.2Å; E2573-E2577 PolarHBondContact O-N 3.18Å; E2574-E2577 PolarHBondContact O-N 3.1Å; C2575-E2577 VanDerWaalsContact C-N 3.35Å; C2575-E2577 PolarHBondContact O-N 2.99Å; E2577-Q2580 PolarHBondContact O-N 3.22Å; E2577-R2581 VanDerWaalsContact O-CB 3.28Å; E2577-R2581 WeakPolarHBondContact O-CB 3.39Å; E2577-R2581 PolarHBondContact O-N 3.24Å; E2577-K2778 VanDerWaalsContact CD-CE 3.47Å; E2577-K2778 VanDerWaalsContact CD-NZ 3.29Å; E2577-K2778 WeakPolarHBondContact OE1-CE 3.15Å; E2577-K2778 IonicContact OE1-NZ 2.91Å; E2577-K2778 PolarHBondContact OE1-NZ 3.28Å; E2577-K2778 WeakPolarHBondContact OE2-CE 3.37Å; E2577-K2778 IonicContact OE2-NZ 3.51Å; E2577-K2778 PolarHBondContact OE2-NZ 3.3Å; E2577-K2778 VanDerWaalsContact OE2-NZ 3.14Å |
| 2578 | I | 90.4 | Very high | 84.9 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -49.7 | 174.6 | -70.3 | 166.6 | 0 | 0 | 0 | 110.1 | E2574 C2575 R2581 M2582 L2722 M2725 I2726 S2729 L2781 | E2574-I2578 HydrophobicContact CG-CD1 4.05Å; E2574-I2578 VanDerWaalsContact O-CG1 3.26Å; E2574-I2578 WeakPolarHBondContact O-CG1 3.34Å; E2574-I2578 PolarHBondContact O-N 3.01Å; C2575-I2578 PolarHBondContact O-N 3.15Å; I2578-R2581 PolarHBondContact O-N 3.15Å; I2578-M2582 WeakPolarHBondContact O-CG 3.37Å; I2578-M2582 PolarHBondContact O-N 3.04Å; I2578-M2582 VanDerWaalsContact O-N 3.1Å; I2578-L2722 HydrophobicContact CG2-CD1 4.29Å; I2578-M2725 HydrophobicContact CG2-CB 3.88Å; I2578-M2725 HydrophobicContact CG2-CE 4Å; I2578-M2725 HydrophobicContact CG2-SD 4.44Å; I2578-I2726 HydrophobicContact CG2-CG1 4.45Å; I2578-S2729 VanDerWaalsContact CD1-OG 3.24Å; I2578-S2729 WeakPolarHBondContact CD1-OG 3.39Å; I2578-L2781 HydrophobicContact CG1-CD1 4.38Å |
| 2579 | I | 91.8 | Very high | 85.4 | Confident | 1.4 Ų | 1.4 | 37.9 Ų | 37.9 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -50.9 | 178.7 | -66 | 163.2 | 0 | 0 | 0 | 109.5 | C2575 R2576 R2581 M2582 V2583 V2698 F2700 L2709 L2722 I2726 | C2575-I2579 WeakPolarHBondContact O-CB 3.37Å; C2575-I2579 WeakPolarHBondContact O-CD1 3.42Å; C2575-I2579 WeakPolarHBondContact O-CG1 3.34Å; C2575-I2579 PolarHBondContact O-N 3.12Å; R2576-I2579 PolarHBondContact O-N 3.35Å; I2579-R2581 VanDerWaalsContact C-N 3.28Å; I2579-R2581 PolarHBondContact O-N 3.1Å; I2579-M2582 PolarHBondContact O-N 3.28Å; I2579-M2582 VanDerWaalsContact O-N 3.09Å; I2579-V2583 HydrophobicContact CG2-CG1 4Å; I2579-V2583 WeakPolarHBondContact O-CG1 3.33Å; I2579-V2583 VanDerWaalsContact O-CG2 3.29Å; I2579-V2583 WeakPolarHBondContact O-CG2 3.26Å; I2579-V2583 PolarHBondContact O-N 3.11Å; I2579-V2698 HydrophobicContact CD1-CG1 4.43Å; I2579-V2698 HydrophobicContact CG2-CB 4.27Å; I2579-V2698 HydrophobicContact CG2-CG1 3.81Å; I2579-F2700 HydrophobicContact CD1-CB 4.06Å; I2579-F2700 HydrophobicContact CD1-CD2 4.21Å; I2579-F2700 HydrophobicContact CD1-CG 4.43Å; I2579-L2709 HydrophobicContact CD1-CD1 4.21Å; I2579-L2722 HydrophobicContact CG1-CD1 4.07Å; I2579-I2726 HydrophobicContact CG1-CD1 4.41Å |
| 2580 | Q | 91 | Very high | 85.8 | Confident | 55.6 Ų | 55.6 | 38.1 Ų | 38.1 | 26% | 0.26 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.9 | -38.7 | -179.8 | -174.6 | 62.5 | 69.1 | 0 | 0 | 112.4 | R2576 E2577 G2584 I2587 C2589 | R2576-Q2580 VanDerWaalsContact O-CB 3.24Å; R2576-Q2580 WeakPolarHBondContact O-CB 3.29Å; R2576-Q2580 PolarHBondContact O-N 3.13Å; E2577-Q2580 PolarHBondContact O-N 3.22Å; Q2580-G2584 PolarHBondContact NE2-O 3.04Å; Q2580-G2584 PolarHBondContact O-N 3.29Å; Q2580-I2587 PolarHBondContact NE2-O 2.9Å; Q2580-I2587 PolarHBondContact OE1-O 3.41Å; Q2580-C2589 HydrophobicContact CB-CB 4.49Å; Q2580-C2589 PolarHBondContact OE1-SG 3.34Å |
| 2581 | R | 88.3 | Confident | 86.3 | Confident | 158.6 Ų | 158.6 | 37.6 Ų | 37.6 | 60% | 0.598 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -67.1 | -38.3 | 176.9 | -170.9 | -176.6 | -64 | 131.3 | 1.1 | 112.2 | E2577 I2578 I2579 | E2577-R2581 VanDerWaalsContact O-CB 3.28Å; E2577-R2581 WeakPolarHBondContact O-CB 3.39Å; E2577-R2581 PolarHBondContact O-N 3.24Å; I2578-R2581 PolarHBondContact O-N 3.15Å; I2579-R2581 VanDerWaalsContact C-N 3.28Å; I2579-R2581 PolarHBondContact O-N 3.1Å |
| 2582 | M | 86.8 | Confident | 86.5 | Confident | 27.6 Ų | 27.6 | 37.5 Ų | 37.5 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -76.1 | -45 | -179.5 | -76.5 | -163.1 | 75.2 | 0 | 0 | 113.7 | I2578 I2579 G2584 K2673 F2718 T2721 L2722 M2725 | I2578-M2582 WeakPolarHBondContact O-CG 3.37Å; I2578-M2582 PolarHBondContact O-N 3.04Å; I2578-M2582 VanDerWaalsContact O-N 3.1Å; I2579-M2582 PolarHBondContact O-N 3.28Å; I2579-M2582 VanDerWaalsContact O-N 3.09Å; M2582-G2584 VanDerWaalsContact C-N 3.31Å; M2582-G2584 PolarHBondContact O-N 3.2Å; M2582-K2673 PolarHBondContact O-NZ 3.36Å; M2582-F2718 HydrophobicContact CB-CE2 3.8Å; M2582-F2718 HydrophobicContact CB-CZ 4.33Å; M2582-F2718 HydrophobicContact CE-CD2 3.84Å; M2582-F2718 HydrophobicContact CE-CE2 3.92Å; M2582-F2718 HydrophobicContact CE-CG 4.44Å; M2582-F2718 WeakPolarHBondContact CE-O 3.44Å; M2582-T2721 HydrophobicContact CE-CG2 3.71Å; M2582-L2722 HydrophobicContact CE-CB 3.84Å; M2582-L2722 HydrophobicContact CG-CD1 4.46Å; M2582-L2722 WeakPolarHBondContact SD-CA 3.39Å; M2582-L2722 HydrophobicContact SD-CB 3.51Å; M2582-L2722 VanDerWaalsContact SD-CB 3.52Å; M2582-L2722 WeakPolarHBondContact SD-CB 3.39Å; M2582-L2722 HydrophobicContact SD-CD1 3.37Å; M2582-L2722 WeakPolarHBondContact SD-CD1 3.37Å; M2582-L2722 HydrophobicContact SD-CG 3.99Å; M2582-M2725 HydrophobicContact CE-CE 4.07Å; M2582-M2725 HydrophobicContact CG-CE 3.24Å; M2582-M2725 HydrophobicContact SD-CE 3.03Å; M2582-M2725 WeakPolarHBondContact SD-CE 3.33Å |
| 2583 | V | 86 | Confident | 86.5 | Confident | 0.6 Ų | 0.6 | 37.5 Ų | 37.5 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | -174.6 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | I2579 I2587 K2673 V2698 W2714 F2718 | I2579-V2583 HydrophobicContact CG2-CG1 4Å; I2579-V2583 WeakPolarHBondContact O-CG1 3.33Å; I2579-V2583 VanDerWaalsContact O-CG2 3.29Å; I2579-V2583 WeakPolarHBondContact O-CG2 3.26Å; I2579-V2583 PolarHBondContact O-N 3.11Å; V2583-I2587 HydrophobicContact CB-CB 3.9Å; V2583-I2587 HydrophobicContact CB-CD1 4.09Å; V2583-I2587 HydrophobicContact CB-CG2 3.96Å; V2583-I2587 HydrophobicContact CG1-CG2 4.37Å; V2583-I2587 HydrophobicContact CG2-CB 3.73Å; V2583-I2587 HydrophobicContact CG2-CG2 3.73Å; V2583-K2673 PolarHBondContact O-NZ 2.99Å; V2583-K2673 VanDerWaalsContact O-NZ 3.1Å; V2583-V2698 HydrophobicContact CG1-CG2 3.91Å; V2583-W2714 HydrophobicContact CB-CH2 3.92Å; V2583-W2714 HydrophobicContact CB-CZ2 4.26Å; V2583-W2714 HydrophobicContact CG1-CH2 3.79Å; V2583-W2714 HydrophobicContact CG1-CZ2 3.77Å; V2583-F2718 HydrophobicContact CG1-CE2 4.35Å; V2583-F2718 HydrophobicContact CG1-CZ 3.89Å |
| 2584 | G | 81.1 | Confident | 86.4 | Confident | 18.6 Ų | 18.6 | 38.1 Ų | 38.1 | 19% | 0.192 | 18% | 0.175 | C | C | . | . | trans | 116.3 | -176.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q2580 M2582 D2586 | Q2580-G2584 PolarHBondContact NE2-O 3.04Å; Q2580-G2584 PolarHBondContact O-N 3.29Å; M2582-G2584 VanDerWaalsContact C-N 3.31Å; M2582-G2584 PolarHBondContact O-N 3.2Å; G2584-D2586 VanDerWaalsContact C-N 3.34Å; G2584-D2586 VanDerWaalsContact C-OD1 3.27Å; G2584-D2586 VanDerWaalsContact CA-OD1 3.28Å; G2584-D2586 WeakPolarHBondContact CA-OD1 3.35Å | ||
| 2585 | Q | 75 | Confident | 85.9 | Confident | 199 Ų | 199 | 41.7 Ų | 41.7 | 93% | 0.93 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -82.4 | -17.9 | 178.9 | -66.7 | -177.5 | -1.6 | 0 | 0 | 112.9 | I2587 | Q2585-I2587 VanDerWaalsContact C-N 3.3Å; Q2585-I2587 PolarHBondContact O-N 2.8Å |
| 2586 | D | 73.2 | Confident | 85.1 | Confident | 40 Ų | 40 | 44.8 Ų | 44.8 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -71.6 | -29.5 | -179.7 | 36.3 | -55 | 0 | 0 | 0 | 112.8 | G2584 R2668 R2696 | G2584-D2586 VanDerWaalsContact C-N 3.34Å; G2584-D2586 VanDerWaalsContact C-OD1 3.27Å; G2584-D2586 VanDerWaalsContact CA-OD1 3.28Å; G2584-D2586 WeakPolarHBondContact CA-OD1 3.35Å; D2586-R2668 IonicContact OD1-NH1 3.76Å; D2586-R2668 PolarHBondContact OD1-NH1 2.76Å; D2586-R2696 IonicContact OD2-CZ 2.8Å; D2586-R2696 IonicContact OD2-NH1 2.85Å; D2586-R2696 PolarHBondContact OD2-NH1 3.16Å; D2586-R2696 VanDerWaalsContact OD2-NH1 3.08Å; D2586-R2696 IonicContact OD2-NH2 2.69Å; D2586-R2696 PolarHBondContact OD2-NH2 2.9Å |
| 2587 | I | 83.7 | Confident | 84 | Confident | 0.4 Ų | 0.4 | 48.6 Ų | 48.6 | 0% | 0.002 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -104 | 123.1 | 178.4 | -67.5 | 175 | 0 | 0 | 0 | 109 | Q2580 V2583 Q2585 L2638 P2639 R2696 W2714 | Q2580-I2587 PolarHBondContact NE2-O 2.9Å; Q2580-I2587 PolarHBondContact OE1-O 3.41Å; V2583-I2587 HydrophobicContact CB-CB 3.9Å; V2583-I2587 HydrophobicContact CB-CD1 4.09Å; V2583-I2587 HydrophobicContact CB-CG2 3.96Å; V2583-I2587 HydrophobicContact CG1-CG2 4.37Å; V2583-I2587 HydrophobicContact CG2-CB 3.73Å; V2583-I2587 HydrophobicContact CG2-CG2 3.73Å; Q2585-I2587 VanDerWaalsContact C-N 3.3Å; Q2585-I2587 PolarHBondContact O-N 2.8Å; I2587-L2638 WeakPolarHBondContact CA-O 3.4Å; I2587-P2639 HydrophobicContact CG1-CB 4.02Å; I2587-R2696 HydrophobicContact CD1-CB 4.16Å; I2587-W2714 HydrophobicContact CD1-CH2 3.58Å; I2587-W2714 HydrophobicContact CD1-CZ2 3.52Å; I2587-W2714 VanDerWaalsContact CD1-CZ2 3.47Å |
| 2588 | K | 84.3 | Confident | 82.9 | Confident | 56.6 Ų | 56.6 | 50.7 Ų | 50.7 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.7 | 177.5 | -170.7 | 165.1 | 178.3 | -179 | 0 | 110 | M2522 N2524 F2590 G2637 L2638 L2640 | M2522-K2588 PolarHBondContact O-NZ 3.5Å; N2524-K2588 PolarHBondContact OD1-NZ 3.33Å; K2588-F2590 HydrophobicContact CB-CE2 3.94Å; K2588-F2590 HydrophobicContact CB-CZ 4.24Å; K2588-F2590 HydrophobicContact CD-CE1 3.88Å; K2588-F2590 HydrophobicContact CD-CE2 4.1Å; K2588-F2590 HydrophobicContact CD-CZ 3.51Å; K2588-F2590 VanDerWaalsContact CD-CZ 3.48Å; K2588-F2590 HydrophobicContact CG-CD2 4.38Å; K2588-F2590 HydrophobicContact CG-CE1 4.18Å; K2588-F2590 HydrophobicContact CG-CE2 3.83Å; K2588-F2590 HydrophobicContact CG-CZ 3.75Å; K2588-G2637 WeakPolarHBondContact O-CA 3.31Å; K2588-L2638 PolarHBondContact N-O 3.1Å; K2588-L2638 VanDerWaalsContact N-O 3.08Å; K2588-L2638 PolarHBondContact O-N 3.17Å; K2588-L2640 HydrophobicContact CB-CD1 3.62Å; K2588-L2640 HydrophobicContact CB-CG 4.19Å; K2588-L2640 HydrophobicContact CD-CD1 3.67Å; K2588-L2640 HydrophobicContact CG-CD1 4.16Å |
| 2589 | C | 88.8 | Confident | 81.8 | Confident | 6.2 Ų | 6.2 | 51.2 Ų | 51.2 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.4 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | R2576 Q2580 I2635 V2636 | R2576-C2589 HydrophobicContact CG-CB 4.27Å; Q2580-C2589 HydrophobicContact CB-CB 4.49Å; Q2580-C2589 PolarHBondContact OE1-SG 3.34Å; C2589-I2635 HydrophobicContact CB-CG2 4.03Å; C2589-V2636 WeakPolarHBondContact CA-O 3.26Å |
| 2590 | F | 88.5 | Confident | 80.6 | Confident | 20.6 Ų | 20.6 | 57 Ų | 57 | 9% | 0.09 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131 | 176.8 | -62.1 | -84.8 | 0 | 0 | 0 | 110.6 | L2439 F2440 K2588 F2592 I2635 V2636 L2638 L2640 | L2439-F2590 HydrophobicContact CD2-CD2 4.03Å; L2439-F2590 HydrophobicContact CD2-CE2 4.11Å; F2440-F2590 HydrophobicContact CE1-CD1 4.3Å; F2440-F2590 HydrophobicContact CE1-CE1 4.41Å; F2440-F2590 HydrophobicContact CE1-CG 4.47Å; F2440-F2590 HydrophobicContact CE2-CZ 4.4Å; F2440-F2590 AromaticContact CZ-CD1 3.89Å; F2440-F2590 HydrophobicContact CZ-CD1 3.98Å; F2440-F2590 HydrophobicContact CZ-CD2 4.29Å; F2440-F2590 AromaticContact CZ-CE1 3.76Å; F2440-F2590 HydrophobicContact CZ-CE1 3.76Å; F2440-F2590 HydrophobicContact CZ-CE2 4.1Å; F2440-F2590 HydrophobicContact CZ-CG 4.21Å; F2440-F2590 AromaticContact CZ-CZ 3.79Å; F2440-F2590 HydrophobicContact CZ-CZ 3.79Å; K2588-F2590 HydrophobicContact CB-CE2 3.94Å; K2588-F2590 HydrophobicContact CB-CZ 4.24Å; K2588-F2590 HydrophobicContact CD-CE1 3.88Å; K2588-F2590 HydrophobicContact CD-CE2 4.1Å; K2588-F2590 HydrophobicContact CD-CZ 3.51Å; K2588-F2590 VanDerWaalsContact CD-CZ 3.48Å; K2588-F2590 HydrophobicContact CG-CD2 4.38Å; K2588-F2590 HydrophobicContact CG-CE1 4.18Å; K2588-F2590 HydrophobicContact CG-CE2 3.83Å; K2588-F2590 HydrophobicContact CG-CZ 3.75Å; F2590-F2592 HydrophobicContact CB-CD2 4.41Å; F2590-F2592 HydrophobicContact CB-CE2 3.51Å; F2590-F2592 VanDerWaalsContact CB-CE2 3.49Å; F2590-F2592 HydrophobicContact CB-CZ 3.86Å; F2590-I2635 CarbonylContact O-C 3.47Å; F2590-I2635 WeakPolarHBondContact O-CA 3.19Å; F2590-I2635 WeakPolarHBondContact O-CG2 3.36Å; F2590-V2636 PolarHBondContact N-O 3.24Å; F2590-V2636 PolarHBondContact O-N 3.3Å; F2590-L2638 HydrophobicContact CD2-CD2 4.36Å; F2590-L2640 HydrophobicContact CE2-CD1 3.85Å; F2590-L2640 HydrophobicContact CE2-CD2 3.83Å; F2590-L2640 HydrophobicContact CE2-CG 4.08Å; F2590-L2640 HydrophobicContact CZ-CD1 3.68Å; F2590-L2640 HydrophobicContact CZ-CD2 4.14Å; F2590-L2640 HydrophobicContact CZ-CG 4.3Å |
| 2591 | A | 88.3 | Confident | 79.4 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | W2607 L2634 I2635 | A2591-W2607 HydrophobicContact CB-CE3 3.83Å; A2591-W2607 HydrophobicContact CB-CZ3 4.49Å; A2591-W2607 PolarHBondContact O-N 3.18Å; A2591-L2634 CarbonylContact C-O 3.57Å; A2591-L2634 WeakPolarHBondContact CA-O 3.39Å; A2591-I2635 HydrophobicContact CB-CG1 4.09Å |
| 2592 | F | 89 | Confident | 78.6 | Confident | 0.6 Ų | 0.6 | 54.1 Ų | 54.1 | 0% | 0.003 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 150.5 | -179.8 | -57 | -93 | 0 | 0 | 0 | 110.3 | F2440 L2532 F2590 Y2604 S2605 F2633 L2634 V2636 | F2440-F2592 HydrophobicContact CD1-CE1 4.31Å; F2440-F2592 HydrophobicContact CD1-CZ 4.25Å; F2440-F2592 HydrophobicContact CE1-CE1 4.21Å; F2440-F2592 AromaticContact CE1-CZ 3.77Å; F2440-F2592 HydrophobicContact CE1-CZ 3.77Å; L2532-F2592 HydrophobicContact CB-CD1 3.8Å; L2532-F2592 HydrophobicContact CB-CD2 4.4Å; L2532-F2592 HydrophobicContact CB-CE1 3.96Å; L2532-F2592 HydrophobicContact CB-CE2 4.48Å; L2532-F2592 HydrophobicContact CB-CG 4.13Å; L2532-F2592 HydrophobicContact CB-CZ 4.4Å; L2532-F2592 HydrophobicContact CD1-CD1 4.39Å; L2532-F2592 HydrophobicContact CD1-CD2 4Å; L2532-F2592 HydrophobicContact CD1-CE1 4.13Å; L2532-F2592 HydrophobicContact CD1-CE2 3.64Å; L2532-F2592 HydrophobicContact CD1-CG 4.33Å; L2532-F2592 HydrophobicContact CD1-CZ 3.7Å; L2532-F2592 HydrophobicContact CD2-CD2 4.39Å; L2532-F2592 HydrophobicContact CD2-CG 4.44Å; F2590-F2592 HydrophobicContact CB-CD2 4.41Å; F2590-F2592 HydrophobicContact CB-CE2 3.51Å; F2590-F2592 VanDerWaalsContact CB-CE2 3.49Å; F2590-F2592 HydrophobicContact CB-CZ 3.86Å; F2592-Y2604 HydrophobicContact CB-CD1 4.09Å; F2592-Y2604 HydrophobicContact CB-CG 4.49Å; F2592-S2605 CarbonylContact C-O 3.52Å; F2592-S2605 VanDerWaalsContact CA-O 3.23Å; F2592-S2605 WeakPolarHBondContact CA-O 3.36Å; F2592-F2633 WeakPolarHBondContact O-CA 3.32Å; F2592-L2634 PolarHBondContact N-O 2.73Å; F2592-L2634 PolarHBondContact O-N 3.08Å; F2592-V2636 HydrophobicContact CD2-CG2 4.37Å; F2592-V2636 HydrophobicContact CE2-CB 4.5Å; F2592-V2636 HydrophobicContact CE2-CG2 4.14Å |
| 2593 | V | 87 | Confident | 78.2 | Confident | 0.6 Ų | 0.6 | 58 Ų | 58 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 138.1 | 177.7 | 70.4 | 0 | 0 | 0 | 0 | 110.9 | Y2604 S2605 W2607 F2628 A2631 S2632 F2633 | V2593-Y2604 WeakPolarHBondContact O-CA 3.35Å; V2593-S2605 PolarHBondContact N-O 3.09Å; V2593-S2605 PolarHBondContact O-N 3.04Å; V2593-S2605 PolarHBondContact O-OG 3.02Å; V2593-W2607 HydrophobicContact CB-CB 3.9Å; V2593-W2607 HydrophobicContact CB-CG 3.97Å; V2593-W2607 HydrophobicContact CG1-CB 3.85Å; V2593-W2607 HydrophobicContact CG1-CG 4Å; V2593-F2628 HydrophobicContact CG2-CD1 4.42Å; V2593-F2628 HydrophobicContact CG2-CE1 4.37Å; V2593-A2631 HydrophobicContact CG2-CB 3.96Å; V2593-S2632 WeakPolarHBondContact CA-O 3.35Å; V2593-F2633 HydrophobicContact CB-CD1 4.02Å; V2593-F2633 HydrophobicContact CB-CE1 4.02Å; V2593-F2633 HydrophobicContact CG2-CD1 3.83Å; V2593-F2633 HydrophobicContact CG2-CE1 3.54Å; V2593-F2633 HydrophobicContact CG2-CG 4.48Å; V2593-F2633 HydrophobicContact CG2-CZ 3.96Å |
| 2594 | K | 85 | Confident | 78.1 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 12% | 0.117 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 112.8 | 164.7 | 177.8 | 173 | 178.7 | 162.3 | 0 | 107 | N2596 R2597 A2599 E2602 Y2604 A2631 S2632 | K2594-N2596 WeakPolarHBondContact CE-O 3.35Å; K2594-R2597 PolarHBondContact NZ-O 3.01Å; K2594-A2599 VanDerWaalsContact CE-O 3.28Å; K2594-A2599 WeakPolarHBondContact CE-O 3.39Å; K2594-A2599 PolarHBondContact NZ-O 3.32Å; K2594-A2599 VanDerWaalsContact NZ-O 3.11Å; K2594-E2602 WeakPolarHBondContact CD-O 3.41Å; K2594-E2602 WeakPolarHBondContact CE-O 3.27Å; K2594-E2602 HydrophobicContact CG-CB 4.49Å; K2594-E2602 HydrophobicContact CG-CG 4.4Å; K2594-E2602 PolarHBondContact NZ-O 3.29Å; K2594-E2602 VanDerWaalsContact NZ-O 3.07Å; K2594-Y2604 HydrophobicContact CB-CD1 3.73Å; K2594-Y2604 HydrophobicContact CB-CD2 4.18Å; K2594-Y2604 HydrophobicContact CB-CE1 3.62Å; K2594-Y2604 HydrophobicContact CB-CE2 4.11Å; K2594-Y2604 HydrophobicContact CB-CG 4.01Å; K2594-Y2604 HydrophobicContact CD-CD2 4.38Å; K2594-Y2604 HydrophobicContact CD-CE2 4.04Å; K2594-A2631 CarbonylContact O-C 3.55Å; K2594-A2631 VanDerWaalsContact O-CA 3.22Å; K2594-A2631 WeakPolarHBondContact O-CA 3.27Å; K2594-S2632 PolarHBondContact N-O 3.18Å; K2594-S2632 PolarHBondContact O-N 3.11Å |
| 2595 | R | 76.3 | Confident | 78.2 | Confident | 105.2 Ų | 105.2 | 59.6 Ų | 59.6 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -75.1 | -43.2 | -168.7 | -60.2 | -178.4 | 174.9 | 82 | 0.5 | 111.7 | E2602 K2630 A2631 | R2595-E2602 WeakPolarHBondContact CA-OE1 3.3Å; R2595-E2602 VanDerWaalsContact CB-OE1 3.23Å; R2595-E2602 WeakPolarHBondContact CB-OE1 3.31Å; R2595-E2602 PolarHBondContact N-OE1 2.96Å; R2595-K2630 CarbonylContact O-C 3.53Å; R2595-A2631 VanDerWaalsContact O-CA 3.32Å; R2595-A2631 WeakPolarHBondContact O-CA 3.21Å; R2595-A2631 PolarHBondContact O-N 3.06Å |
| 2596 | N | 72.9 | Confident | 78.5 | Confident | 65.6 Ų | 65.6 | 51.4 Ų | 51.4 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | trans | -108.3 | 109.7 | 174.3 | -167.6 | -6.9 | 0 | 0 | 0 | 110.7 | K2594 D2598 A2599 E2602 | K2594-N2596 WeakPolarHBondContact CE-O 3.35Å; N2596-D2598 VanDerWaalsContact C-N 3.28Å; N2596-D2598 PolarHBondContact O-N 3.02Å; N2596-D2598 PolarHBondContact OD1-N 2.89Å; N2596-D2598 VanDerWaalsContact OD1-N 3.15Å; N2596-A2599 HydrophobicContact CB-CB 3.96Å; N2596-A2599 PolarHBondContact O-N 3.14Å; N2596-E2602 VanDerWaalsContact CA-OE2 3.29Å; N2596-E2602 WeakPolarHBondContact CA-OE2 3.4Å; N2596-E2602 WeakPolarHBondContact CB-OE2 3.4Å; N2596-E2602 PolarHBondContact N-OE2 3.05Å | ||
| 2597 | R | 66.6 | Low | 78.7 | Confident | 142.4 Ų | 142.4 | 50.5 Ų | 50.5 | 54% | 0.537 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -58.5 | -41.1 | 177.1 | -173.2 | -175.2 | -174.5 | -167.6 | 3.1 | 112.3 | K2594 A2599 C2703 | K2594-R2597 PolarHBondContact NZ-O 3.01Å; R2597-A2599 VanDerWaalsContact C-N 3.34Å; R2597-A2599 PolarHBondContact O-N 3.22Å; R2597-C2703 VanDerWaalsContact CZ-SG 3.58Å; R2597-C2703 PolarHBondContact NE-SG 3.34Å; R2597-C2703 PolarHBondContact NH2-SG 3.24Å; R2597-C2703 VanDerWaalsContact NH2-SG 3.42Å |
| 2598 | D | 67.9 | Low | 78.2 | Confident | 121.6 Ų | 121.6 | 55.8 Ų | 55.8 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -82.8 | -15.2 | -169.1 | -55.6 | -33.6 | 0 | 0 | 0 | 112.3 | N2596 S2600 | N2596-D2598 VanDerWaalsContact C-N 3.28Å; N2596-D2598 PolarHBondContact O-N 3.02Å; N2596-D2598 PolarHBondContact OD1-N 2.89Å; N2596-D2598 VanDerWaalsContact OD1-N 3.15Å; D2598-S2600 PolarHBondContact O-N 3.08Å; D2598-S2600 VanDerWaalsContact O-N 3.16Å |
| 2599 | A | 67.3 | Low | 77.2 | Confident | 22.6 Ų | 22.6 | 55.6 Ų | 55.6 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | trans | -76.3 | 103 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | K2594 N2596 R2597 S2601 E2602 | K2594-A2599 VanDerWaalsContact CE-O 3.28Å; K2594-A2599 WeakPolarHBondContact CE-O 3.39Å; K2594-A2599 PolarHBondContact NZ-O 3.32Å; K2594-A2599 VanDerWaalsContact NZ-O 3.11Å; N2596-A2599 HydrophobicContact CB-CB 3.96Å; N2596-A2599 PolarHBondContact O-N 3.14Å; R2597-A2599 VanDerWaalsContact C-N 3.34Å; R2597-A2599 PolarHBondContact O-N 3.22Å; A2599-S2601 PolarHBondContact O-N 3.19Å; A2599-E2602 HydrophobicContact CB-CB 3.89Å; A2599-E2602 PolarHBondContact O-N 3.06Å; A2599-E2602 VanDerWaalsContact O-N 3.14Å | ||
| 2600 | S | 65.1 | Low | 75.8 | Confident | 122.2 Ų | 122.2 | 58.9 Ų | 58.9 | 86% | 0.855 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.9 | 173.9 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | D2598 | D2598-S2600 PolarHBondContact O-N 3.08Å; D2598-S2600 VanDerWaalsContact O-N 3.16Å |
| 2601 | S | 66.4 | Low | 74.1 | Confident | 105.75 Ų | 105.75 | 64.5 Ų | 64.5 | 74% | 0.74 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -19.8 | 177.1 | 56.8 | 0 | 0 | 0 | 0 | 114.1 | A2599 K2603 | A2599-S2601 PolarHBondContact O-N 3.19Å; S2601-K2603 PolarHBondContact O-N 3.44Å |
| 2602 | E | 71.7 | Confident | 72.2 | Confident | 48 Ų | 48 | 70.1 Ų | 70.1 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 123.2 | -176.6 | -165.1 | -179.5 | 167.1 | 0 | 0 | 111.1 | K2594 R2595 N2596 A2599 | K2594-E2602 WeakPolarHBondContact CD-O 3.41Å; K2594-E2602 WeakPolarHBondContact CE-O 3.27Å; K2594-E2602 HydrophobicContact CG-CB 4.49Å; K2594-E2602 HydrophobicContact CG-CG 4.4Å; K2594-E2602 PolarHBondContact NZ-O 3.29Å; K2594-E2602 VanDerWaalsContact NZ-O 3.07Å; R2595-E2602 WeakPolarHBondContact CA-OE1 3.3Å; R2595-E2602 VanDerWaalsContact CB-OE1 3.23Å; R2595-E2602 WeakPolarHBondContact CB-OE1 3.31Å; R2595-E2602 PolarHBondContact N-OE1 2.96Å; N2596-E2602 VanDerWaalsContact CA-OE2 3.29Å; N2596-E2602 WeakPolarHBondContact CA-OE2 3.4Å; N2596-E2602 WeakPolarHBondContact CB-OE2 3.4Å; N2596-E2602 PolarHBondContact N-OE2 3.05Å; A2599-E2602 HydrophobicContact CB-CB 3.89Å; A2599-E2602 PolarHBondContact O-N 3.06Å; A2599-E2602 VanDerWaalsContact O-N 3.14Å |
| 2603 | K | 78.1 | Confident | 70.2 | Confident | 109.25 Ų | 109.25 | 72.1 Ų | 72.1 | 48% | 0.475 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 152.6 | 178.4 | -64.7 | -177.6 | 180 | 177.6 | 0 | 111 | S2601 S2605 | S2601-K2603 PolarHBondContact O-N 3.44Å; K2603-S2605 PolarHBondContact O-N 3.14Å |
| 2604 | Y | 84.4 | Confident | 68.1 | Low | 27.25 Ų | 27.25 | 73.1 Ų | 73.1 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 119 | 169 | -79.6 | -86.7 | 0 | 0 | 0 | 109.9 | C2531 L2532 A2537 F2592 V2593 K2594 S2632 L2634 | C2531-Y2604 CarbonylContact C-O 3.51Å; C2531-Y2604 VanDerWaalsContact CA-O 3.31Å; C2531-Y2604 WeakPolarHBondContact CA-O 3.36Å; C2531-Y2604 WeakPolarHBondContact CB-O 3.37Å; L2532-Y2604 HydrophobicContact CD2-CD2 4.47Å; L2532-Y2604 HydrophobicContact CD2-CG 4.26Å; L2532-Y2604 PolarHBondContact N-O 3.16Å; A2537-Y2604 HydrophobicContact CB-CD2 3.73Å; A2537-Y2604 HydrophobicContact CB-CE2 4.29Å; F2592-Y2604 HydrophobicContact CB-CD1 4.09Å; F2592-Y2604 HydrophobicContact CB-CG 4.49Å; V2593-Y2604 WeakPolarHBondContact O-CA 3.35Å; K2594-Y2604 HydrophobicContact CB-CD1 3.73Å; K2594-Y2604 HydrophobicContact CB-CD2 4.18Å; K2594-Y2604 HydrophobicContact CB-CE1 3.62Å; K2594-Y2604 HydrophobicContact CB-CE2 4.11Å; K2594-Y2604 HydrophobicContact CB-CG 4.01Å; K2594-Y2604 HydrophobicContact CD-CD2 4.38Å; K2594-Y2604 HydrophobicContact CD-CE2 4.04Å; Y2604-S2632 WeakPolarHBondContact OH-CB 3.34Å; Y2604-L2634 HydrophobicContact CD1-CB 4.24Å; Y2604-L2634 HydrophobicContact CE1-CB 4.03Å |
| 2605 | S | 82.6 | Confident | 66 | Low | 25.25 Ų | 25.25 | 74.1 Ų | 74.1 | 18% | 0.177 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 149.4 | 176 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | F2592 V2593 K2603 W2607 | F2592-S2605 CarbonylContact C-O 3.52Å; F2592-S2605 VanDerWaalsContact CA-O 3.23Å; F2592-S2605 WeakPolarHBondContact CA-O 3.36Å; V2593-S2605 PolarHBondContact N-O 3.09Å; V2593-S2605 PolarHBondContact O-N 3.04Å; V2593-S2605 PolarHBondContact O-OG 3.02Å; K2603-S2605 PolarHBondContact O-N 3.14Å; S2605-W2607 PolarHBondContact O-N 3.21Å |
| 2606 | S | 80.8 | Confident | 64.3 | Low | 27.25 Ų | 27.25 | 72.9 Ų | 72.9 | 19% | 0.191 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 132.3 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | Q2530 Y2608 | Q2530-S2606 VanDerWaalsContact O-CB 3.3Å; Q2530-S2606 WeakPolarHBondContact O-CB 3.45Å; Q2530-S2606 PolarHBondContact O-N 3.13Å; Q2530-S2606 VanDerWaalsContact O-N 3.09Å; S2606-Y2608 VanDerWaalsContact OG-CE2 3.27Å; S2606-Y2608 WeakPolarHBondContact OG-CE2 3.36Å; S2606-Y2608 VanDerWaalsContact OG-CZ 3.28Å; S2606-Y2608 PolarHBondContact OG-OH 3.06Å; S2606-Y2608 VanDerWaalsContact OG-OH 3.08Å |
| 2607 | W | 78.6 | Confident | 62.6 | Low | 22 Ų | 22 | 72 Ų | 72 | 8% | 0.083 | 38% | 0.383 | C | S | . | . | trans | -119 | 133.4 | -176.2 | -177.4 | 74.6 | 0 | 0 | 0 | 110.6 | G2569 V2572 E2573 A2591 V2593 S2605 Y2609 F2633 | G2569-W2607 VanDerWaalsContact O-CH2 3.28Å; G2569-W2607 WeakPolarHBondContact O-CH2 3.44Å; V2572-W2607 HydrophobicContact CB-CH2 4.39Å; V2572-W2607 HydrophobicContact CB-CZ3 4.28Å; V2572-W2607 HydrophobicContact CG1-CE3 4.33Å; V2572-W2607 HydrophobicContact CG1-CH2 4.38Å; V2572-W2607 HydrophobicContact CG1-CZ3 3.79Å; E2573-W2607 HydrophobicContact CB-CH2 4.28Å; E2573-W2607 HydrophobicContact CB-CZ3 4.4Å; A2591-W2607 HydrophobicContact CB-CE3 3.83Å; A2591-W2607 HydrophobicContact CB-CZ3 4.49Å; A2591-W2607 PolarHBondContact O-N 3.18Å; V2593-W2607 HydrophobicContact CB-CB 3.9Å; V2593-W2607 HydrophobicContact CB-CG 3.97Å; V2593-W2607 HydrophobicContact CG1-CB 3.85Å; V2593-W2607 HydrophobicContact CG1-CG 4Å; S2605-W2607 PolarHBondContact O-N 3.21Å; W2607-Y2609 AromaticContact CH2-CD2 3.75Å; W2607-Y2609 HydrophobicContact CH2-CD2 3.75Å; W2607-Y2609 HydrophobicContact CH2-CG 4.17Å; W2607-Y2609 AromaticContact CZ2-CD2 3.9Å; W2607-Y2609 HydrophobicContact CZ2-CD2 3.9Å; W2607-F2633 HydrophobicContact CD2-CD1 4.24Å; W2607-F2633 AromaticContact CD2-CE1 3.94Å; W2607-F2633 HydrophobicContact CD2-CE1 4.04Å; W2607-F2633 AromaticContact CE2-CE1 3.8Å; W2607-F2633 HydrophobicContact CE3-CD1 4.33Å; W2607-F2633 HydrophobicContact CE3-CE1 4.38Å; W2607-F2633 HydrophobicContact CG-CE1 4.38Å; W2607-F2633 HydrophobicContact CH2-CE1 4.47Å; W2607-F2633 HydrophobicContact CZ2-CE1 4.13Å; W2607-F2633 AromaticContact NE1-CE1 3.95Å | ||
| 2608 | Y | 73.4 | Confident | 61.4 | Low | 110.5 Ų | 110.5 | 69.7 Ų | 69.7 | 43% | 0.433 | 38% | 0.38 | S | S | . | . | trans | -126.7 | 125.6 | 175.6 | -57.4 | -81 | 0 | 0 | 0 | 108.1 | N2524 S2606 T2610 | N2524-Y2608 HydrophobicContact CB-CD1 4.19Å; N2524-Y2608 HydrophobicContact CB-CE1 3.87Å; N2524-Y2608 PolarHBondContact O-OH 3.11Å; S2606-Y2608 VanDerWaalsContact OG-CE2 3.27Å; S2606-Y2608 WeakPolarHBondContact OG-CE2 3.36Å; S2606-Y2608 VanDerWaalsContact OG-CZ 3.28Å; S2606-Y2608 PolarHBondContact OG-OH 3.06Å; S2606-Y2608 VanDerWaalsContact OG-OH 3.08Å; Y2608-T2610 PolarHBondContact O-N 3.12Å | ||
| 2609 | Y | 62.8 | Low | 60.3 | Low | 53.25 Ų | 53.25 | 72.4 Ų | 72.4 | 21% | 0.209 | 39% | 0.387 | C | S | . | . | trans | -67.9 | 126.3 | 171.8 | -174 | -103.4 | 0 | 0 | 0 | 109.6 | A2570 E2573 W2607 E2611 | A2570-Y2609 HydrophobicContact CB-CE2 4.03Å; E2573-Y2609 HydrophobicContact CB-CD1 4.22Å; E2573-Y2609 HydrophobicContact CB-CD2 4.11Å; E2573-Y2609 HydrophobicContact CB-CG 3.77Å; E2573-Y2609 HydrophobicContact CG-CD1 3.84Å; E2573-Y2609 HydrophobicContact CG-CG 3.75Å; E2573-Y2609 VanDerWaalsContact OE2-CB 3.27Å; E2573-Y2609 WeakPolarHBondContact OE2-CB 3.45Å; W2607-Y2609 AromaticContact CH2-CD2 3.75Å; W2607-Y2609 HydrophobicContact CH2-CD2 3.75Å; W2607-Y2609 HydrophobicContact CH2-CG 4.17Å; W2607-Y2609 AromaticContact CZ2-CD2 3.9Å; W2607-Y2609 HydrophobicContact CZ2-CD2 3.9Å; Y2609-E2611 HydrophobicContact CE1-CG 4Å | ||
| 2610 | T | 58.8 | Low | 58.9 | Low | 74 Ų | 74 | 77.3 Ų | 77.3 | 45% | 0.454 | 40% | 0.4 | S | S | . | . | trans | -121.8 | 133.2 | 164.2 | 60.7 | 0 | 0 | 0 | 0 | 107.5 | Y2608 N2612 S2613 | Y2608-T2610 PolarHBondContact O-N 3.12Å; T2610-N2612 PolarHBondContact O-N 3.25Å; T2610-N2612 VanDerWaalsContact O-N 3.1Å; T2610-S2613 VanDerWaalsContact O-CB 3.32Å; T2610-S2613 WeakPolarHBondContact O-CB 3.26Å; T2610-S2613 PolarHBondContact O-N 3.18Å; T2610-S2613 PolarHBondContact O-OG 3.22Å; T2610-S2613 VanDerWaalsContact OG1-CB 3.24Å; T2610-S2613 WeakPolarHBondContact OG1-CB 3.44Å; T2610-S2613 PolarHBondContact OG1-N 3.03Å; T2610-S2613 VanDerWaalsContact OG1-N 3.09Å; T2610-S2613 PolarHBondContact OG1-OG 3.11Å | ||
| 2611 | E | 54.1 | Low | 57.7 | Low | 140 Ų | 140 | 75.1 Ų | 75.1 | 65% | 0.654 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -54.5 | -29.6 | 177.8 | -69.6 | 176.8 | 170.7 | 0 | 0 | 111.3 | Y2609 S2613 S2614 G2820 | Y2609-E2611 HydrophobicContact CE1-CG 4Å; E2611-S2613 PolarHBondContact O-N 3.46Å; E2611-S2614 PolarHBondContact O-OG 3.48Å; E2611-G2820 WeakPolarHBondContact O-CA 3.5Å; E2611-G2820 PolarHBondContact O-N 3.09Å |
| 2612 | N | 47.2 | Very low | 56.4 | Low | 122.5 Ų | 122.5 | 78.2 Ų | 78.2 | 66% | 0.655 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -81.9 | -15.7 | 177.3 | -63.4 | -3.4 | 0 | 0 | 0 | 114.7 | T2610 S2614 V2615 | T2610-N2612 PolarHBondContact O-N 3.25Å; T2610-N2612 VanDerWaalsContact O-N 3.1Å; N2612-S2614 PolarHBondContact O-N 3.27Å; N2612-S2614 VanDerWaalsContact O-N 3.12Å; N2612-V2615 HydrophobicContact CB-CG2 4.31Å; N2612-V2615 VanDerWaalsContact O-CB 3.26Å; N2612-V2615 WeakPolarHBondContact O-CB 3.46Å; N2612-V2615 WeakPolarHBondContact O-CG2 3.28Å; N2612-V2615 PolarHBondContact O-N 3.22Å; N2612-V2615 VanDerWaalsContact O-N 3.11Å |
| 2613 | S | 46.3 | Very low | 54.9 | Low | 41 Ų | 41 | 80.2 Ų | 80.2 | 29% | 0.287 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -62.8 | -23.9 | -176.1 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | T2610 E2611 V2615 | T2610-S2613 VanDerWaalsContact O-CB 3.32Å; T2610-S2613 WeakPolarHBondContact O-CB 3.26Å; T2610-S2613 PolarHBondContact O-N 3.18Å; T2610-S2613 PolarHBondContact O-OG 3.22Å; T2610-S2613 VanDerWaalsContact OG1-CB 3.24Å; T2610-S2613 WeakPolarHBondContact OG1-CB 3.44Å; T2610-S2613 PolarHBondContact OG1-N 3.03Å; T2610-S2613 VanDerWaalsContact OG1-N 3.09Å; T2610-S2613 PolarHBondContact OG1-OG 3.11Å; E2611-S2613 PolarHBondContact O-N 3.46Å; S2613-V2615 VanDerWaalsContact C-N 3.33Å |
| 2614 | S | 43.1 | Very low | 52.9 | Low | 22.25 Ų | 22.25 | 83.3 Ų | 83.3 | 16% | 0.156 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -84.6 | -16.3 | 178.4 | -0.1 | 0 | 0 | 0 | 0 | 112.7 | E2611 N2612 D2616 L2617 G2820 | E2611-S2614 PolarHBondContact O-OG 3.48Å; N2612-S2614 PolarHBondContact O-N 3.27Å; N2612-S2614 VanDerWaalsContact O-N 3.12Å; S2614-D2616 VanDerWaalsContact C-N 3.29Å; S2614-D2616 PolarHBondContact O-N 3.2Å; S2614-L2617 VanDerWaalsContact O-CB 3.26Å; S2614-L2617 WeakPolarHBondContact O-CB 3.26Å; S2614-L2617 WeakPolarHBondContact O-CG 3.39Å; S2614-L2617 PolarHBondContact O-N 3.1Å; S2614-L2617 VanDerWaalsContact O-N 3.08Å; S2614-G2820 VanDerWaalsContact C-CA 3.41Å; S2614-G2820 CarbonylContact C-O 3.57Å; S2614-G2820 VanDerWaalsContact CB-C 3.43Å; S2614-G2820 WeakPolarHBondContact CB-O 3.45Å; S2614-G2820 VanDerWaalsContact O-O 3.13Å; S2614-G2820 VanDerWaalsContact OG-CA 3.27Å; S2614-G2820 WeakPolarHBondContact OG-CA 3.43Å; S2614-G2820 PolarHBondContact OG-O 2.98Å |
| 2615 | V | 42 | Very low | 50.7 | Low | 49.25 Ų | 49.25 | 87.8 Ų | 87.8 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -26.4 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | N2612 S2613 L2617 L2618 G2820 | N2612-V2615 HydrophobicContact CB-CG2 4.31Å; N2612-V2615 VanDerWaalsContact O-CB 3.26Å; N2612-V2615 WeakPolarHBondContact O-CB 3.46Å; N2612-V2615 WeakPolarHBondContact O-CG2 3.28Å; N2612-V2615 PolarHBondContact O-N 3.22Å; N2612-V2615 VanDerWaalsContact O-N 3.11Å; S2613-V2615 VanDerWaalsContact C-N 3.33Å; V2615-L2617 PolarHBondContact O-N 3.07Å; V2615-L2617 VanDerWaalsContact O-N 3.13Å; V2615-L2618 PolarHBondContact O-N 3.2Å; V2615-G2820 VanDerWaalsContact CA-CA 3.5Å |
| 2616 | D | 39.5 | Very low | 49 | Very low | 78 Ų | 78 | 90.1 Ų | 90.1 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.7 | -17.9 | 173.9 | -96.9 | 9.4 | 0 | 0 | 0 | 112.9 | S2614 R2620 | S2614-D2616 VanDerWaalsContact C-N 3.29Å; S2614-D2616 PolarHBondContact O-N 3.2Å; D2616-R2620 VanDerWaalsContact CG-NH1 3.34Å; D2616-R2620 WeakPolarHBondContact O-CB 3.33Å; D2616-R2620 PolarHBondContact O-N 3.18Å; D2616-R2620 IonicContact OD2-CZ 3.27Å; D2616-R2620 IonicContact OD2-NH1 3.14Å; D2616-R2620 PolarHBondContact OD2-NH1 3.07Å; D2616-R2620 IonicContact OD2-NH2 3.12Å; D2616-R2620 PolarHBondContact OD2-NH2 2.86Å |
| 2617 | L | 38.2 | Very low | 47.6 | Very low | 47.5 Ų | 47.5 | 93 Ų | 93 | 25% | 0.249 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -72.8 | -33.2 | 179.3 | -66.8 | 169 | 0 | 0 | 0 | 113.2 | S2614 V2615 A2621 F2628 | S2614-L2617 VanDerWaalsContact O-CB 3.26Å; S2614-L2617 WeakPolarHBondContact O-CB 3.26Å; S2614-L2617 WeakPolarHBondContact O-CG 3.39Å; S2614-L2617 PolarHBondContact O-N 3.1Å; S2614-L2617 VanDerWaalsContact O-N 3.08Å; V2615-L2617 PolarHBondContact O-N 3.07Å; V2615-L2617 VanDerWaalsContact O-N 3.13Å; L2617-A2621 PolarHBondContact O-N 3.4Å; L2617-F2628 HydrophobicContact CD2-CD2 4.18Å; L2617-F2628 HydrophobicContact CD2-CE2 4.23Å |
| 2618 | L | 40.7 | Very low | 46.5 | Very low | 93.25 Ų | 93.25 | 94.6 Ų | 94.6 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -80.4 | -30.8 | 179.9 | -80.9 | 163.1 | 0 | 0 | 0 | 112.3 | V2615 R2620 | V2615-L2618 PolarHBondContact O-N 3.2Å; L2618-R2620 VanDerWaalsContact C-N 3.32Å; L2618-R2620 PolarHBondContact O-N 2.75Å |
| 2619 | K | 44.3 | Very low | 46 | Very low | 180.25 Ų | 180.25 | 90.7 Ų | 90.7 | 78% | 0.784 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -79.8 | -15.1 | 178.4 | -73.5 | -172.6 | 178.4 | 179.9 | 0 | 114.3 | ||
| 2620 | R | 38.5 | Very low | 46.2 | Very low | 124 Ų | 124 | 94.7 Ų | 94.7 | 47% | 0.468 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 12.7 | -178.4 | -73.1 | -171.6 | -179.3 | 124.5 | 9.7 | 114.5 | D2616 L2618 D2622 T2623 E2627 | D2616-R2620 VanDerWaalsContact CG-NH1 3.34Å; D2616-R2620 WeakPolarHBondContact O-CB 3.33Å; D2616-R2620 PolarHBondContact O-N 3.18Å; D2616-R2620 IonicContact OD2-CZ 3.27Å; D2616-R2620 IonicContact OD2-NH1 3.14Å; D2616-R2620 PolarHBondContact OD2-NH1 3.07Å; D2616-R2620 IonicContact OD2-NH2 3.12Å; D2616-R2620 PolarHBondContact OD2-NH2 2.86Å; L2618-R2620 VanDerWaalsContact C-N 3.32Å; L2618-R2620 PolarHBondContact O-N 2.75Å; R2620-D2622 PolarHBondContact O-N 3.11Å; R2620-T2623 PolarHBondContact O-N 3.28Å; R2620-T2623 PolarHBondContact O-OG1 3.17Å; R2620-E2627 IonicContact NH1-OE1 3.39Å; R2620-E2627 PolarHBondContact NH1-OE1 3.25Å |
| 2621 | A | 41.2 | Very low | 47.3 | Very low | 76.25 Ų | 76.25 | 91.2 Ų | 91.2 | 63% | 0.63 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2617 T2623 | L2617-A2621 PolarHBondContact O-N 3.4Å; A2621-T2623 VanDerWaalsContact C-N 3.29Å; A2621-T2623 PolarHBondContact O-N 3.22Å |
| 2622 | D | 38.8 | Very low | 48.9 | Very low | 171.5 Ų | 171.5 | 84.6 Ų | 84.6 | 92% | 0.917 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.5 | 172.6 | -81.7 | -19.1 | 0 | 0 | 0 | 114.4 | R2620 | R2620-D2622 PolarHBondContact O-N 3.11Š|
| 2623 | T | 38.7 | Very low | 50.9 | Low | 88.75 Ų | 88.75 | 78.9 Ų | 78.9 | 54% | 0.544 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -121.1 | 115.5 | 171.3 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | R2620 A2621 Q2625 | R2620-T2623 PolarHBondContact O-N 3.28Å; R2620-T2623 PolarHBondContact O-OG1 3.17Å; A2621-T2623 VanDerWaalsContact C-N 3.29Å; A2621-T2623 PolarHBondContact O-N 3.22Å; T2623-Q2625 WeakPolarHBondContact O-CA 2.99Å; T2623-Q2625 VanDerWaalsContact O-CB 3.23Å; T2623-Q2625 WeakPolarHBondContact O-CB 3.4Å; T2623-Q2625 WeakPolarHBondContact O-CG 3.39Å; T2623-Q2625 PolarHBondContact O-N 3.17Å; T2623-Q2625 PolarHBondContact OG1-NE2 3.32Å; T2623-Q2625 VanDerWaalsContact OG1-NE2 3.12Å |
| 2624 | D | 37.2 | Very low | 53.1 | Low | 174.25 Ų | 174.25 | 77 Ų | 77 | 93% | 0.932 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -37.2 | 23.1 | -176.6 | -105.4 | -19 | 0 | 0 | 0 | 117.8 | C2626 | D2624-C2626 PolarHBondContact O-N 2.87Š|
| 2625 | Q | 38.8 | Very low | 55.5 | Low | 122.5 Ų | 122.5 | 76.1 Ų | 76.1 | 57% | 0.572 | 40% | 0.397 | S | S | * | . | trans | -120.4 | 88.1 | -173.4 | -69.7 | -175.3 | 29.2 | 0 | 0 | 110.7 | T2623 E2627 | T2623-Q2625 WeakPolarHBondContact O-CA 2.99Å; T2623-Q2625 VanDerWaalsContact O-CB 3.23Å; T2623-Q2625 WeakPolarHBondContact O-CB 3.4Å; T2623-Q2625 WeakPolarHBondContact O-CG 3.39Å; T2623-Q2625 PolarHBondContact O-N 3.17Å; T2623-Q2625 PolarHBondContact OG1-NE2 3.32Å; T2623-Q2625 VanDerWaalsContact OG1-NE2 3.12Å; Q2625-E2627 VanDerWaalsContact C-N 3.29Å; Q2625-E2627 HydrophobicContact CB-CG 4.43Å; Q2625-E2627 HydrophobicContact CG-CG 4.11Å; Q2625-E2627 PolarHBondContact O-N 3.28Å | ||
| 2626 | C | 46.3 | Very low | 57.8 | Low | 73.75 Ų | 73.75 | 73.7 Ų | 73.7 | 50% | 0.498 | 38% | 0.382 | S | S | . | . | trans | -69.4 | 71 | 152.4 | -159 | 0 | 0 | 0 | 0 | 107.5 | D2624 F2628 A2629 | D2624-C2626 PolarHBondContact O-N 2.87Å; C2626-F2628 PolarHBondContact O-N 3.07Å; C2626-F2628 VanDerWaalsContact O-N 3.11Å; C2626-A2629 HydrophobicContact CB-CB 4.18Å; C2626-A2629 WeakPolarHBondContact O-CB 3.29Å; C2626-A2629 PolarHBondContact O-N 3.28Å; C2626-A2629 VanDerWaalsContact SG-CB 3.5Å | ||
| 2627 | E | 51.6 | Low | 60.2 | Low | 88.25 Ų | 88.25 | 70 Ų | 70 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -27.8 | -166.1 | -76.8 | -174.2 | 165.8 | 0 | 0 | 113.1 | R2620 Q2625 | R2620-E2627 IonicContact NH1-OE1 3.39Å; R2620-E2627 PolarHBondContact NH1-OE1 3.25Å; Q2625-E2627 VanDerWaalsContact C-N 3.29Å; Q2625-E2627 HydrophobicContact CB-CG 4.43Å; Q2625-E2627 HydrophobicContact CG-CG 4.11Å; Q2625-E2627 PolarHBondContact O-N 3.28Å |
| 2628 | F | 55.2 | Low | 62.5 | Low | 56.5 Ų | 56.5 | 67.8 Ų | 67.8 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -7.7 | -179.9 | -65.8 | -76.6 | 0 | 0 | 0 | 115.3 | R2568 V2593 L2617 C2626 K2630 A2631 F2633 | R2568-F2628 PolarHBondContact NH2-O 3.18Å; V2593-F2628 HydrophobicContact CG2-CD1 4.42Å; V2593-F2628 HydrophobicContact CG2-CE1 4.37Å; L2617-F2628 HydrophobicContact CD2-CD2 4.18Å; L2617-F2628 HydrophobicContact CD2-CE2 4.23Å; C2626-F2628 PolarHBondContact O-N 3.07Å; C2626-F2628 VanDerWaalsContact O-N 3.11Å; F2628-K2630 VanDerWaalsContact C-N 3.26Å; F2628-K2630 PolarHBondContact O-N 3.03Å; F2628-A2631 HydrophobicContact CB-CB 4.38Å; F2628-A2631 HydrophobicContact CD1-CB 4.05Å; F2628-A2631 WeakPolarHBondContact O-CB 3.49Å; F2628-A2631 PolarHBondContact O-N 3.34Å; F2628-F2633 HydrophobicContact CD1-CZ 4.17Å |
| 2629 | A | 62.2 | Low | 64.4 | Low | 28 Ų | 28 | 63.5 Ų | 63.5 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N2565 R2568 C2626 | N2565-A2629 HydrophobicContact CB-CB 4.26Å; R2568-A2629 PolarHBondContact NH2-O 3.23Å; R2568-A2629 VanDerWaalsContact NH2-O 3.13Å; C2626-A2629 HydrophobicContact CB-CB 4.18Å; C2626-A2629 WeakPolarHBondContact O-CB 3.29Å; C2626-A2629 PolarHBondContact O-N 3.28Å; C2626-A2629 VanDerWaalsContact SG-CB 3.5Å |
| 2630 | K | 68.5 | Low | 65.9 | Low | 136.5 Ų | 136.5 | 57 Ų | 57 | 59% | 0.593 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -98.5 | -2.7 | 175.5 | -65.2 | -173.5 | 179 | -175.7 | 0 | 114 | R2595 F2628 | R2595-K2630 CarbonylContact O-C 3.53Å; F2628-K2630 VanDerWaalsContact C-N 3.26Å; F2628-K2630 PolarHBondContact O-N 3.03Å |
| 2631 | A | 80.1 | Confident | 67.5 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -64.9 | 143.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R2568 V2593 K2594 R2595 F2628 F2633 | R2568-A2631 PolarHBondContact NH1-O 3.27Å; R2568-A2631 PolarHBondContact NH2-O 3.17Å; V2593-A2631 HydrophobicContact CG2-CB 3.96Å; K2594-A2631 CarbonylContact O-C 3.55Å; K2594-A2631 VanDerWaalsContact O-CA 3.22Å; K2594-A2631 WeakPolarHBondContact O-CA 3.27Å; R2595-A2631 VanDerWaalsContact O-CA 3.32Å; R2595-A2631 WeakPolarHBondContact O-CA 3.21Å; R2595-A2631 PolarHBondContact O-N 3.06Å; F2628-A2631 HydrophobicContact CB-CB 4.38Å; F2628-A2631 HydrophobicContact CD1-CB 4.05Å; F2628-A2631 WeakPolarHBondContact O-CB 3.49Å; F2628-A2631 PolarHBondContact O-N 3.34Å; A2631-F2633 HydrophobicContact CB-CE2 3.93Å; A2631-F2633 HydrophobicContact CB-CZ 4.15Å | ||
| 2632 | S | 88 | Confident | 68.9 | Low | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.6 | 169 | -59.4 | 0 | 0 | 0 | 0 | 108.9 | V2593 K2594 Y2604 L2702 C2703 | V2593-S2632 WeakPolarHBondContact CA-O 3.35Å; K2594-S2632 PolarHBondContact N-O 3.18Å; K2594-S2632 PolarHBondContact O-N 3.11Å; Y2604-S2632 WeakPolarHBondContact OH-CB 3.34Å; S2632-L2702 VanDerWaalsContact CA-O 3.31Å; S2632-L2702 WeakPolarHBondContact CA-O 3.32Å; S2632-C2703 PolarHBondContact OG-SG 2.87Å; S2632-C2703 VanDerWaalsContact OG-SG 3.34Å |
| 2633 | F | 90.5 | Very high | 70.7 | Confident | 2.75 Ų | 2.75 | 45.3 Ų | 45.3 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.5 | 179.5 | -61 | -95.4 | 0 | 0 | 0 | 110 | V2572 F2592 V2593 W2607 F2628 A2631 S2701 L2702 | V2572-F2633 HydrophobicContact CG1-CB 4.1Å; V2572-F2633 HydrophobicContact CG1-CD1 4.16Å; V2572-F2633 HydrophobicContact CG1-CG 4.27Å; V2572-F2633 HydrophobicContact CG2-CB 3.96Å; V2572-F2633 HydrophobicContact CG2-CD1 4.27Å; V2572-F2633 HydrophobicContact CG2-CD2 4.02Å; V2572-F2633 HydrophobicContact CG2-CG 3.83Å; F2592-F2633 WeakPolarHBondContact O-CA 3.32Å; V2593-F2633 HydrophobicContact CB-CD1 4.02Å; V2593-F2633 HydrophobicContact CB-CE1 4.02Å; V2593-F2633 HydrophobicContact CG2-CD1 3.83Å; V2593-F2633 HydrophobicContact CG2-CE1 3.54Å; V2593-F2633 HydrophobicContact CG2-CG 4.48Å; V2593-F2633 HydrophobicContact CG2-CZ 3.96Å; W2607-F2633 HydrophobicContact CD2-CD1 4.24Å; W2607-F2633 AromaticContact CD2-CE1 3.94Å; W2607-F2633 HydrophobicContact CD2-CE1 4.04Å; W2607-F2633 AromaticContact CE2-CE1 3.8Å; W2607-F2633 HydrophobicContact CE3-CD1 4.33Å; W2607-F2633 HydrophobicContact CE3-CE1 4.38Å; W2607-F2633 HydrophobicContact CG-CE1 4.38Å; W2607-F2633 HydrophobicContact CH2-CE1 4.47Å; W2607-F2633 HydrophobicContact CZ2-CE1 4.13Å; W2607-F2633 AromaticContact NE1-CE1 3.95Å; F2628-F2633 HydrophobicContact CD1-CZ 4.17Å; A2631-F2633 HydrophobicContact CB-CE2 3.93Å; A2631-F2633 HydrophobicContact CB-CZ 4.15Å; F2633-S2701 WeakPolarHBondContact O-CA 3.19Å; F2633-L2702 HydrophobicContact CB-CB 4.27Å; F2633-L2702 HydrophobicContact CD2-CD2 4.07Å; F2633-L2702 HydrophobicContact CD2-CG 4.49Å; F2633-L2702 PolarHBondContact N-O 2.96Å; F2633-L2702 PolarHBondContact O-N 3.18Å |
| 2634 | L | 91.8 | Very high | 72.1 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 130 | 175 | -163.3 | 78.3 | 0 | 0 | 0 | 109.3 | L2532 V2541 A2591 F2592 Y2604 V2636 L2699 F2700 | L2532-L2634 HydrophobicContact CD2-CD2 3.31Å; V2541-L2634 HydrophobicContact CG2-CD1 3.83Å; A2591-L2634 CarbonylContact C-O 3.57Å; A2591-L2634 WeakPolarHBondContact CA-O 3.39Å; F2592-L2634 PolarHBondContact N-O 2.73Å; F2592-L2634 PolarHBondContact O-N 3.08Å; Y2604-L2634 HydrophobicContact CD1-CB 4.24Å; Y2604-L2634 HydrophobicContact CE1-CB 4.03Å; L2634-V2636 HydrophobicContact CD2-CG2 4Å; L2634-V2636 HydrophobicContact CG-CG2 4.34Å; L2634-L2699 HydrophobicContact CD1-CD1 3.9Å; L2634-L2699 HydrophobicContact CD1-CD2 4.4Å; L2634-L2699 HydrophobicContact CD1-CG 4.16Å; L2634-L2699 HydrophobicContact CD2-CD1 4.07Å; L2634-L2699 HydrophobicContact CG-CD1 3.95Å; L2634-F2700 CarbonylContact C-O 3.57Å; L2634-F2700 VanDerWaalsContact CA-O 3.29Å; L2634-F2700 WeakPolarHBondContact CA-O 3.37Å; L2634-F2700 WeakPolarHBondContact CD1-O 3.26Å |
| 2635 | I | 92.9 | Very high | 73.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.4 | 170.2 | -50.5 | 165.7 | 0 | 0 | 0 | 108.2 | V2572 R2576 C2589 F2590 A2591 L2699 F2700 | V2572-I2635 HydrophobicContact CG1-CD1 3.97Å; V2572-I2635 HydrophobicContact CG1-CG1 4.28Å; R2576-I2635 HydrophobicContact CB-CD1 3.78Å; R2576-I2635 HydrophobicContact CG-CD1 4.29Å; R2576-I2635 HydrophobicContact CG-CG2 4.19Å; C2589-I2635 HydrophobicContact CB-CG2 4.03Å; F2590-I2635 CarbonylContact O-C 3.47Å; F2590-I2635 WeakPolarHBondContact O-CA 3.19Å; F2590-I2635 WeakPolarHBondContact O-CG2 3.36Å; A2591-I2635 HydrophobicContact CB-CG1 4.09Å; I2635-L2699 WeakPolarHBondContact O-CA 3.32Å; I2635-F2700 HydrophobicContact CB-CB 4.05Å; I2635-F2700 HydrophobicContact CB-CD1 4.46Å; I2635-F2700 HydrophobicContact CD1-CB 4.35Å; I2635-F2700 HydrophobicContact CD1-CD1 3.76Å; I2635-F2700 HydrophobicContact CD1-CE1 4.19Å; I2635-F2700 HydrophobicContact CD1-CG 4.09Å; I2635-F2700 HydrophobicContact CG1-CB 4.41Å; I2635-F2700 HydrophobicContact CG1-CD1 4Å; I2635-F2700 HydrophobicContact CG1-CG 4.47Å; I2635-F2700 PolarHBondContact N-O 3.19Å; I2635-F2700 PolarHBondContact O-N 3.3Å |
| 2636 | V | 91.4 | Very high | 75.1 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 113.3 | 178.1 | -169.3 | 0 | 0 | 0 | 0 | 108.7 | L2439 L2532 Y2536 C2589 F2590 F2592 L2634 L2638 L2697 L2699 | L2439-V2636 HydrophobicContact CD1-CB 4.3Å; L2439-V2636 HydrophobicContact CD1-CG1 3.99Å; L2439-V2636 HydrophobicContact CD1-CG2 4.46Å; L2532-V2636 HydrophobicContact CD1-CG2 4.24Å; Y2536-V2636 HydrophobicContact CD1-CG1 4.08Å; Y2536-V2636 HydrophobicContact CD1-CG2 4.43Å; Y2536-V2636 HydrophobicContact CE1-CG1 4.02Å; Y2536-V2636 HydrophobicContact CE1-CG2 4.27Å; C2589-V2636 WeakPolarHBondContact CA-O 3.26Å; F2590-V2636 PolarHBondContact N-O 3.24Å; F2590-V2636 PolarHBondContact O-N 3.3Å; F2592-V2636 HydrophobicContact CD2-CG2 4.37Å; F2592-V2636 HydrophobicContact CE2-CB 4.5Å; F2592-V2636 HydrophobicContact CE2-CG2 4.14Å; L2634-V2636 HydrophobicContact CD2-CG2 4Å; L2634-V2636 HydrophobicContact CG-CG2 4.34Å; V2636-L2638 HydrophobicContact CB-CD2 4.2Å; V2636-L2638 HydrophobicContact CG1-CD1 3.52Å; V2636-L2638 VanDerWaalsContact CG1-CD1 3.49Å; V2636-L2638 HydrophobicContact CG1-CD2 3.49Å; V2636-L2638 VanDerWaalsContact CG1-CD2 3.49Å; V2636-L2638 HydrophobicContact CG1-CG 3.88Å; V2636-L2697 HydrophobicContact CG1-CD1 3.92Å; V2636-L2699 HydrophobicContact CB-CD1 4.46Å; V2636-L2699 HydrophobicContact CG1-CD1 4.33Å; V2636-L2699 HydrophobicContact CG2-CD1 3.78Å |
| 2637 | G | 90.3 | Very high | 76 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K2588 V2698 | K2588-G2637 WeakPolarHBondContact O-CA 3.31Å; G2637-V2698 PolarHBondContact N-O 3.18Å; G2637-V2698 PolarHBondContact O-N 3.17Å; G2637-V2698 VanDerWaalsContact O-N 3.07Å |
| 2638 | L | 85.5 | Confident | 76.5 | Confident | 0.75 Ų | 0.75 | 31.9 Ų | 31.9 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 146.3 | -179.8 | -56.6 | 154.9 | 0 | 0 | 0 | 112.3 | L2435 L2439 Y2536 I2587 K2588 F2590 V2636 L2640 W2643 L2697 | L2435-L2638 HydrophobicContact CD2-CD2 3.63Å; L2435-L2638 VanDerWaalsContact CD2-CD2 3.5Å; L2439-L2638 HydrophobicContact CD1-CD1 4.02Å; L2439-L2638 HydrophobicContact CD1-CD2 4.48Å; L2439-L2638 HydrophobicContact CD2-CD1 4.04Å; L2439-L2638 HydrophobicContact CD2-CD2 3.53Å; L2439-L2638 HydrophobicContact CD2-CG 4.36Å; Y2536-L2638 HydrophobicContact CE1-CD1 4.09Å; I2587-L2638 WeakPolarHBondContact CA-O 3.4Å; K2588-L2638 PolarHBondContact N-O 3.1Å; K2588-L2638 VanDerWaalsContact N-O 3.08Å; K2588-L2638 PolarHBondContact O-N 3.17Å; F2590-L2638 HydrophobicContact CD2-CD2 4.36Å; V2636-L2638 HydrophobicContact CB-CD2 4.2Å; V2636-L2638 HydrophobicContact CG1-CD1 3.52Å; V2636-L2638 VanDerWaalsContact CG1-CD1 3.49Å; V2636-L2638 HydrophobicContact CG1-CD2 3.49Å; V2636-L2638 VanDerWaalsContact CG1-CD2 3.49Å; V2636-L2638 HydrophobicContact CG1-CG 3.88Å; L2638-L2640 HydrophobicContact CD1-CD2 4.01Å; L2638-L2640 PolarHBondContact O-N 3.1Å; L2638-L2640 VanDerWaalsContact O-N 3.07Å; L2638-W2643 HydrophobicContact CD1-CB 3.7Å; L2638-W2643 HydrophobicContact CD1-CD2 3.97Å; L2638-W2643 HydrophobicContact CD1-CE3 4.45Å; L2638-W2643 HydrophobicContact CD1-CG 3.59Å; L2638-L2697 HydrophobicContact CD2-CB 4.2Å; L2638-L2697 HydrophobicContact CD2-CD1 3.68Å; L2638-L2697 HydrophobicContact CD2-CG 4.49Å; L2638-L2697 HydrophobicContact CG-CD1 3.92Å |
| 2639 | P | 81 | Confident | 76.7 | Confident | 3.25 Ų | 3.25 | 30.8 Ų | 30.8 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | trans | -73.3 | 92.9 | 170.1 | 29.6 | -33 | 0 | 0 | 0 | 109.6 | I2587 V2641 L2642 W2643 Q2695 R2696 | I2587-P2639 HydrophobicContact CG1-CB 4.02Å; P2639-V2641 VanDerWaalsContact C-N 3.27Å; P2639-V2641 PolarHBondContact O-N 3.26Å; P2639-L2642 HydrophobicContact CB-CB 4.02Å; P2639-L2642 HydrophobicContact CG-CB 4.08Å; P2639-L2642 HydrophobicContact CG-CD2 4.22Å; P2639-L2642 PolarHBondContact O-N 3.11Å; P2639-L2642 VanDerWaalsContact O-N 3.16Å; P2639-W2643 WeakPolarHBondContact O-CB 3.37Å; P2639-W2643 PolarHBondContact O-N 3.11Å; P2639-Q2695 HydrophobicContact CG-CB 4.47Å; P2639-R2696 WeakPolarHBondContact CD-O 3.36Å | ||
| 2640 | L | 75.5 | Confident | 76.3 | Confident | 44 Ų | 44 | 30 Ų | 30 | 23% | 0.23 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.6 | -36.4 | -171.4 | -77.9 | 171.4 | 0 | 0 | 0 | 114.4 | L2439 K2588 F2590 L2638 K2644 | L2439-L2640 HydrophobicContact CD2-CD2 4.49Å; K2588-L2640 HydrophobicContact CB-CD1 3.62Å; K2588-L2640 HydrophobicContact CB-CG 4.19Å; K2588-L2640 HydrophobicContact CD-CD1 3.67Å; K2588-L2640 HydrophobicContact CG-CD1 4.16Å; F2590-L2640 HydrophobicContact CE2-CD1 3.85Å; F2590-L2640 HydrophobicContact CE2-CD2 3.83Å; F2590-L2640 HydrophobicContact CE2-CG 4.08Å; F2590-L2640 HydrophobicContact CZ-CD1 3.68Å; F2590-L2640 HydrophobicContact CZ-CD2 4.14Å; F2590-L2640 HydrophobicContact CZ-CG 4.3Å; L2638-L2640 HydrophobicContact CD1-CD2 4.01Å; L2638-L2640 PolarHBondContact O-N 3.1Å; L2638-L2640 VanDerWaalsContact O-N 3.07Å; L2640-K2644 VanDerWaalsContact O-CB 3.26Å; L2640-K2644 WeakPolarHBondContact O-CB 3.38Å; L2640-K2644 VanDerWaalsContact O-CG 3.26Å; L2640-K2644 WeakPolarHBondContact O-CG 3.16Å; L2640-K2644 PolarHBondContact O-N 3.01Å |
| 2641 | V | 71.8 | Confident | 75.4 | Confident | 79.75 Ų | 79.75 | 30.8 Ų | 30.8 | 48% | 0.483 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.4 | -54.3 | 178.3 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | P2639 W2643 K2644 E2645 | P2639-V2641 VanDerWaalsContact C-N 3.27Å; P2639-V2641 PolarHBondContact O-N 3.26Å; V2641-W2643 VanDerWaalsContact C-N 3.31Å; V2641-W2643 PolarHBondContact O-N 3.19Å; V2641-K2644 PolarHBondContact O-N 2.93Å; V2641-K2644 VanDerWaalsContact O-N 3.16Å; V2641-E2645 HydrophobicContact CG1-CG 4.29Å; V2641-E2645 WeakPolarHBondContact CG1-OE1 3.32Å; V2641-E2645 VanDerWaalsContact O-CB 3.31Å; V2641-E2645 WeakPolarHBondContact O-CB 3.31Å; V2641-E2645 VanDerWaalsContact O-CG 3.28Å; V2641-E2645 WeakPolarHBondContact O-CG 3.31Å; V2641-E2645 PolarHBondContact O-N 3.34Å |
| 2642 | L | 71.9 | Confident | 73.7 | Confident | 10.5 Ų | 10.5 | 32.5 Ų | 32.5 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -41.3 | 179.1 | -171.3 | 61.4 | 0 | 0 | 0 | 111.9 | P2639 E2645 T2646 I2662 L2665 F2691 Q2695 | P2639-L2642 HydrophobicContact CB-CB 4.02Å; P2639-L2642 HydrophobicContact CG-CB 4.08Å; P2639-L2642 HydrophobicContact CG-CD2 4.22Å; P2639-L2642 PolarHBondContact O-N 3.11Å; P2639-L2642 VanDerWaalsContact O-N 3.16Å; L2642-E2645 PolarHBondContact O-N 3.34Å; L2642-T2646 VanDerWaalsContact O-CB 3.24Å; L2642-T2646 WeakPolarHBondContact O-CB 3.4Å; L2642-T2646 PolarHBondContact O-N 3.18Å; L2642-T2646 PolarHBondContact O-OG1 3.27Å; L2642-I2662 HydrophobicContact CD1-CG1 4.35Å; L2642-L2665 HydrophobicContact CB-CD2 3.82Å; L2642-L2665 HydrophobicContact CD1-CD2 3.86Å; L2642-L2665 HydrophobicContact CD2-CD2 4.09Å; L2642-L2665 HydrophobicContact CG-CD2 4.14Å; L2642-F2691 HydrophobicContact CD1-CE1 4.48Å; L2642-F2691 HydrophobicContact CD1-CE2 4.43Å; L2642-F2691 HydrophobicContact CD1-CZ 3.76Å; L2642-Q2695 HydrophobicContact CD2-CB 4.44Å; L2642-Q2695 HydrophobicContact CD2-CG 3.85Å; L2642-Q2695 HydrophobicContact CG-CG 4.12Å |
| 2643 | W | 74.6 | Confident | 71.8 | Confident | 33.75 Ų | 33.75 | 35.5 Ų | 35.5 | 13% | 0.128 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -51.8 | 176.1 | 177.3 | 76.7 | 0 | 0 | 0 | 111.5 | L2435 A2437 L2439 L2638 P2639 V2641 E2645 T2646 M2647 | L2435-W2643 PolarHBondContact O-NE1 3.04Å; A2437-W2643 WeakPolarHBondContact O-CZ2 3.41Å; L2439-W2643 HydrophobicContact CB-CH2 4.33Å; L2439-W2643 HydrophobicContact CB-CZ2 4.15Å; L2638-W2643 HydrophobicContact CD1-CB 3.7Å; L2638-W2643 HydrophobicContact CD1-CD2 3.97Å; L2638-W2643 HydrophobicContact CD1-CE3 4.45Å; L2638-W2643 HydrophobicContact CD1-CG 3.59Å; P2639-W2643 WeakPolarHBondContact O-CB 3.37Å; P2639-W2643 PolarHBondContact O-N 3.11Å; V2641-W2643 VanDerWaalsContact C-N 3.31Å; V2641-W2643 PolarHBondContact O-N 3.19Å; W2643-E2645 PolarHBondContact O-N 3.12Å; W2643-T2646 PolarHBondContact O-N 2.99Å; W2643-M2647 HydrophobicContact CD2-SD 4.41Å; W2643-M2647 HydrophobicContact CH2-SD 3.88Å; W2643-M2647 VanDerWaalsContact CH2-SD 3.58Å; W2643-M2647 HydrophobicContact CZ2-CE 4.34Å; W2643-M2647 HydrophobicContact CZ2-CG 4.42Å; W2643-M2647 HydrophobicContact CZ2-SD 3.48Å; W2643-M2647 WeakPolarHBondContact CZ2-SD 3.2Å; W2643-M2647 HydrophobicContact CZ3-SD 4.34Å; W2643-M2647 WeakPolarHBondContact O-CG 3.48Å; W2643-M2647 PolarHBondContact O-N 3.31Å; W2643-M2647 VanDerWaalsContact O-N 3.08Å |
| 2644 | K | 69.3 | Low | 69.7 | Low | 73.5 Ų | 73.5 | 40.1 Ų | 40.1 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 179.4 | -156.1 | -180 | 177.8 | -175.1 | 0 | 111.8 | L2640 V2641 T2646 M2647 M2648 | L2640-K2644 VanDerWaalsContact O-CB 3.26Å; L2640-K2644 WeakPolarHBondContact O-CB 3.38Å; L2640-K2644 VanDerWaalsContact O-CG 3.26Å; L2640-K2644 WeakPolarHBondContact O-CG 3.16Å; L2640-K2644 PolarHBondContact O-N 3.01Å; V2641-K2644 PolarHBondContact O-N 2.93Å; V2641-K2644 VanDerWaalsContact O-N 3.16Å; K2644-T2646 VanDerWaalsContact C-N 3.33Å; K2644-T2646 PolarHBondContact O-N 3.47Å; K2644-M2647 WeakPolarHBondContact O-CB 3.43Å; K2644-M2647 PolarHBondContact O-N 3.23Å; K2644-M2647 VanDerWaalsContact O-N 3.15Å; K2644-M2648 HydrophobicContact CD-CE 4.47Å; K2644-M2648 VanDerWaalsContact CE-CE 3.43Å; K2644-M2648 HydrophobicContact CG-CE 4.25Å; K2644-M2648 HydrophobicContact CG-SD 4.47Å; K2644-M2648 WeakPolarHBondContact O-CG 3.33Å; K2644-M2648 PolarHBondContact O-N 3.06Å |
| 2645 | E | 67.9 | Low | 67.5 | Low | 37.5 Ų | 37.5 | 44.6 Ų | 44.6 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 178.8 | -69.3 | -89 | 179 | 0 | 0 | 111.5 | V2641 L2642 W2643 M2647 M2648 F2649 S2661 I2662 | V2641-E2645 HydrophobicContact CG1-CG 4.29Å; V2641-E2645 WeakPolarHBondContact CG1-OE1 3.32Å; V2641-E2645 VanDerWaalsContact O-CB 3.31Å; V2641-E2645 WeakPolarHBondContact O-CB 3.31Å; V2641-E2645 VanDerWaalsContact O-CG 3.28Å; V2641-E2645 WeakPolarHBondContact O-CG 3.31Å; V2641-E2645 PolarHBondContact O-N 3.34Å; L2642-E2645 PolarHBondContact O-N 3.34Å; W2643-E2645 PolarHBondContact O-N 3.12Å; E2645-M2647 VanDerWaalsContact C-N 3.29Å; E2645-M2647 PolarHBondContact O-N 3.22Å; E2645-M2648 PolarHBondContact O-N 3Å; E2645-M2648 VanDerWaalsContact O-N 3.12Å; E2645-F2649 HydrophobicContact CB-CD2 4.49Å; E2645-F2649 VanDerWaalsContact O-CB 3.26Å; E2645-F2649 WeakPolarHBondContact O-CB 3.31Å; E2645-F2649 WeakPolarHBondContact O-CD2 3.28Å; E2645-F2649 PolarHBondContact O-N 3.08Å; E2645-F2649 WeakPolarHBondContact OE2-CD2 3.49Å; E2645-F2649 WeakPolarHBondContact OE2-CE2 3.28Å; E2645-S2661 WeakPolarHBondContact CG-OG 3.37Å; E2645-S2661 WeakPolarHBondContact OE1-CB 3.22Å; E2645-S2661 PolarHBondContact OE1-OG 3.06Å; E2645-S2661 PolarHBondContact OE2-OG 3.41Å; E2645-S2661 VanDerWaalsContact OE2-OG 3.13Å; E2645-I2662 HydrophobicContact CB-CD1 3.92Å; E2645-I2662 HydrophobicContact CB-CG1 3.88Å; E2645-I2662 HydrophobicContact CG-CG1 4.22Å; E2645-I2662 WeakPolarHBondContact OE2-CG1 3.49Å; E2645-I2662 PolarHBondContact OE2-N 2.66Å |
| 2646 | T | 70.4 | Confident | 65.6 | Low | 4.25 Ų | 4.25 | 52.3 Ų | 52.3 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 172.9 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | T2436 L2642 W2643 K2644 M2648 A2650 F2691 P2693 | T2436-T2646 HydrophobicContact CG2-CG2 4.31Å; L2642-T2646 VanDerWaalsContact O-CB 3.24Å; L2642-T2646 WeakPolarHBondContact O-CB 3.4Å; L2642-T2646 PolarHBondContact O-N 3.18Å; L2642-T2646 PolarHBondContact O-OG1 3.27Å; W2643-T2646 PolarHBondContact O-N 2.99Å; K2644-T2646 VanDerWaalsContact C-N 3.33Å; K2644-T2646 PolarHBondContact O-N 3.47Å; T2646-M2648 VanDerWaalsContact C-N 3.31Å; T2646-M2648 PolarHBondContact O-N 2.86Å; T2646-A2650 HydrophobicContact CG2-CB 4.08Å; T2646-A2650 WeakPolarHBondContact O-CB 3.32Å; T2646-A2650 PolarHBondContact O-N 3.31Å; T2646-A2650 VanDerWaalsContact O-N 3.09Å; T2646-F2691 HydrophobicContact CG2-CE1 4.4Å; T2646-P2693 HydrophobicContact CG2-CB 3.72Å; T2646-P2693 HydrophobicContact CG2-CG 3.76Å |
| 2647 | M | 65.8 | Low | 64 | Low | 38.25 Ų | 38.25 | 59 Ų | 59 | 19% | 0.188 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.5 | -29.7 | 175.9 | -65.7 | -155.2 | 85.3 | 0 | 0 | 114 | T2436 W2643 K2644 E2645 R2651 | T2436-M2647 WeakPolarHBondContact O-CE 3.37Å; T2436-M2647 VanDerWaalsContact O-SD 3.41Å; W2643-M2647 HydrophobicContact CD2-SD 4.41Å; W2643-M2647 HydrophobicContact CH2-SD 3.88Å; W2643-M2647 VanDerWaalsContact CH2-SD 3.58Å; W2643-M2647 HydrophobicContact CZ2-CE 4.34Å; W2643-M2647 HydrophobicContact CZ2-CG 4.42Å; W2643-M2647 HydrophobicContact CZ2-SD 3.48Å; W2643-M2647 WeakPolarHBondContact CZ2-SD 3.2Å; W2643-M2647 HydrophobicContact CZ3-SD 4.34Å; W2643-M2647 WeakPolarHBondContact O-CG 3.48Å; W2643-M2647 PolarHBondContact O-N 3.31Å; W2643-M2647 VanDerWaalsContact O-N 3.08Å; K2644-M2647 WeakPolarHBondContact O-CB 3.43Å; K2644-M2647 PolarHBondContact O-N 3.23Å; K2644-M2647 VanDerWaalsContact O-N 3.15Å; E2645-M2647 VanDerWaalsContact C-N 3.29Å; E2645-M2647 PolarHBondContact O-N 3.22Å; M2647-R2651 VanDerWaalsContact O-CD 3.23Å; M2647-R2651 WeakPolarHBondContact O-CD 3.42Å; M2647-R2651 VanDerWaalsContact O-CG 3.25Å; M2647-R2651 WeakPolarHBondContact O-CG 3.24Å; M2647-R2651 PolarHBondContact O-NE 2.8Å; M2647-R2651 VanDerWaalsContact O-NE 3.14Å |
| 2648 | M | 62.4 | Low | 62.6 | Low | 112.75 Ų | 112.75 | 60.4 Ų | 60.4 | 56% | 0.555 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -83.1 | -48 | 178.9 | -72 | -170.2 | 173.8 | 0 | 0 | 111.9 | K2644 E2645 T2646 A2650 R2651 A2652 | K2644-M2648 HydrophobicContact CD-CE 4.47Å; K2644-M2648 VanDerWaalsContact CE-CE 3.43Å; K2644-M2648 HydrophobicContact CG-CE 4.25Å; K2644-M2648 HydrophobicContact CG-SD 4.47Å; K2644-M2648 WeakPolarHBondContact O-CG 3.33Å; K2644-M2648 PolarHBondContact O-N 3.06Å; E2645-M2648 PolarHBondContact O-N 3Å; E2645-M2648 VanDerWaalsContact O-N 3.12Å; T2646-M2648 VanDerWaalsContact C-N 3.31Å; T2646-M2648 PolarHBondContact O-N 2.86Å; M2648-A2650 VanDerWaalsContact C-N 3.29Å; M2648-A2650 PolarHBondContact O-N 3.04Å; M2648-R2651 WeakPolarHBondContact O-CB 3.47Å; M2648-R2651 PolarHBondContact O-N 2.89Å; M2648-R2651 VanDerWaalsContact O-N 3.1Å; M2648-A2652 PolarHBondContact O-N 3.15Å; M2648-A2652 VanDerWaalsContact O-N 3.14Å |
| 2649 | F | 58.4 | Low | 61.6 | Low | 33.5 Ų | 33.5 | 61.9 Ų | 61.9 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.6 | -37.8 | -178.6 | -149.1 | -94.5 | 0 | 0 | 0 | 112.1 | E2645 R2651 A2652 C2655 P2659 W2689 F2691 | E2645-F2649 HydrophobicContact CB-CD2 4.49Å; E2645-F2649 VanDerWaalsContact O-CB 3.26Å; E2645-F2649 WeakPolarHBondContact O-CB 3.31Å; E2645-F2649 WeakPolarHBondContact O-CD2 3.28Å; E2645-F2649 PolarHBondContact O-N 3.08Å; E2645-F2649 WeakPolarHBondContact OE2-CD2 3.49Å; E2645-F2649 WeakPolarHBondContact OE2-CE2 3.28Å; F2649-R2651 PolarHBondContact O-N 3.26Å; F2649-R2651 VanDerWaalsContact O-N 3.15Å; F2649-A2652 PolarHBondContact O-N 3.34Å; F2649-A2652 VanDerWaalsContact O-N 3.09Å; F2649-C2655 HydrophobicContact CE1-CB 4.34Å; F2649-C2655 HydrophobicContact CE2-CB 4.47Å; F2649-P2659 HydrophobicContact CD1-CG 3.75Å; F2649-P2659 VanDerWaalsContact CD2-CD 3.46Å; F2649-P2659 HydrophobicContact CD2-CG 3.87Å; F2649-P2659 VanDerWaalsContact CD2-CG 3.44Å; F2649-P2659 HydrophobicContact CE1-CG 3.52Å; F2649-P2659 HydrophobicContact CE2-CB 4.29Å; F2649-P2659 HydrophobicContact CE2-CG 3.21Å; F2649-P2659 HydrophobicContact CG-CG 3.72Å; F2649-P2659 HydrophobicContact CZ-CB 4.4Å; F2649-P2659 HydrophobicContact CZ-CG 3.27Å; F2649-W2689 AromaticContact CD1-CH2 3.98Å; F2649-W2689 HydrophobicContact CD1-CH2 3.98Å; F2649-W2689 AromaticContact CD1-CZ2 3.92Å; F2649-W2689 HydrophobicContact CD1-CZ2 3.92Å; F2649-W2689 HydrophobicContact CE1-CD2 4.14Å; F2649-W2689 AromaticContact CE1-CE2 3.84Å; F2649-W2689 HydrophobicContact CE1-CE3 4.29Å; F2649-W2689 AromaticContact CE1-CH2 3.98Å; F2649-W2689 HydrophobicContact CE1-CH2 3.98Å; F2649-W2689 AromaticContact CE1-CZ2 3.77Å; F2649-W2689 HydrophobicContact CE1-CZ2 3.77Å; F2649-W2689 HydrophobicContact CE1-CZ3 4.23Å; F2649-F2691 HydrophobicContact CD1-CB 4.11Å; F2649-F2691 HydrophobicContact CD1-CD1 4.11Å; F2649-F2691 HydrophobicContact CD1-CG 4.45Å; F2649-F2691 HydrophobicContact CE1-CB 3.76Å; F2649-F2691 HydrophobicContact CG-CD1 4.47Å; F2649-F2691 HydrophobicContact CZ-CB 4.24Å |
| 2650 | A | 54.7 | Low | 60.9 | Low | 12.75 Ų | 12.75 | 66.4 Ų | 66.4 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I2353 Y2359 Y2432 T2646 M2648 | I2353-A2650 HydrophobicContact CD1-CB 3.16Å; I2353-A2650 WeakPolarHBondContact CD1-O 3.23Å; Y2359-A2650 HydrophobicContact CE2-CB 4.3Å; Y2359-A2650 PolarHBondContact OH-O 2.71Å; Y2432-A2650 HydrophobicContact CE1-CB 4.2Å; T2646-A2650 HydrophobicContact CG2-CB 4.08Å; T2646-A2650 WeakPolarHBondContact O-CB 3.32Å; T2646-A2650 PolarHBondContact O-N 3.31Å; T2646-A2650 VanDerWaalsContact O-N 3.09Å; M2648-A2650 VanDerWaalsContact C-N 3.29Å; M2648-A2650 PolarHBondContact O-N 3.04Å |
| 2651 | R | 49.7 | Very low | 60.4 | Low | 151.75 Ų | 151.75 | 65.7 Ų | 65.7 | 57% | 0.573 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -18 | 179.5 | -60 | 179.8 | 174.2 | 177.5 | -0.2 | 114 | I2353 M2647 M2648 F2649 S2653 | I2353-R2651 HydrophobicContact CB-CB 4.35Å; I2353-R2651 HydrophobicContact CB-CG 4.31Å; I2353-R2651 HydrophobicContact CD1-CB 3.68Å; I2353-R2651 HydrophobicContact CD1-CG 3.46Å; I2353-R2651 VanDerWaalsContact CD1-CG 3.46Å; I2353-R2651 HydrophobicContact CG1-CB 4.22Å; I2353-R2651 HydrophobicContact CG1-CG 3.78Å; M2647-R2651 VanDerWaalsContact O-CD 3.23Å; M2647-R2651 WeakPolarHBondContact O-CD 3.42Å; M2647-R2651 VanDerWaalsContact O-CG 3.25Å; M2647-R2651 WeakPolarHBondContact O-CG 3.24Å; M2647-R2651 PolarHBondContact O-NE 2.8Å; M2647-R2651 VanDerWaalsContact O-NE 3.14Å; M2648-R2651 WeakPolarHBondContact O-CB 3.47Å; M2648-R2651 PolarHBondContact O-N 2.89Å; M2648-R2651 VanDerWaalsContact O-N 3.1Å; F2649-R2651 PolarHBondContact O-N 3.26Å; F2649-R2651 VanDerWaalsContact O-N 3.15Å; R2651-S2653 VanDerWaalsContact C-N 3.34Å; R2651-S2653 PolarHBondContact O-N 3.27Å |
| 2652 | A | 44.8 | Very low | 60 | Low | 36.5 Ų | 36.5 | 62 Ų | 62 | 30% | 0.302 | 34% | 0.338 | S | S | . | . | trans | -93.8 | 83.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | M2648 F2649 S2654 C2655 | M2648-A2652 PolarHBondContact O-N 3.15Å; M2648-A2652 VanDerWaalsContact O-N 3.14Å; F2649-A2652 PolarHBondContact O-N 3.34Å; F2649-A2652 VanDerWaalsContact O-N 3.09Å; A2652-S2654 PolarHBondContact O-N 3.3Å; A2652-S2654 VanDerWaalsContact O-N 3.12Å; A2652-C2655 HydrophobicContact CB-CB 4.32Å; A2652-C2655 PolarHBondContact O-N 3.47Å | ||
| 2653 | S | 46.4 | Very low | 59.8 | Low | 65.75 Ų | 65.75 | 63.2 Ų | 63.2 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 28 | 178.1 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | D2351 R2651 | D2351-S2653 WeakPolarHBondContact OD2-CB 3.15Å; D2351-S2653 PolarHBondContact OD2-OG 3.4Å; R2651-S2653 VanDerWaalsContact C-N 3.34Å; R2651-S2653 PolarHBondContact O-N 3.27Å |
| 2654 | S | 47.6 | Very low | 59.4 | Low | 99 Ų | 99 | 67.1 Ų | 67.1 | 69% | 0.692 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.8 | 57 | 179.9 | 66.9 | 0 | 0 | 0 | 0 | 114.5 | A2652 E2656 | A2652-S2654 PolarHBondContact O-N 3.3Å; A2652-S2654 VanDerWaalsContact O-N 3.12Å; S2654-E2656 VanDerWaalsContact C-N 3.28Å; S2654-E2656 PolarHBondContact O-N 3.18Å |
| 2655 | C | 45.6 | Very low | 59.1 | Low | 95.75 Ų | 95.75 | 65 Ų | 65 | 65% | 0.647 | 36% | 0.359 | S | S | * | . | trans | -34.6 | 78.5 | 170.1 | -76.1 | 0 | 0 | 0 | 0 | 114.3 | F2649 A2652 E2657 | F2649-C2655 HydrophobicContact CE1-CB 4.34Å; F2649-C2655 HydrophobicContact CE2-CB 4.47Å; A2652-C2655 HydrophobicContact CB-CB 4.32Å; A2652-C2655 PolarHBondContact O-N 3.47Å; C2655-E2657 PolarHBondContact O-N 3.21Å; C2655-E2657 VanDerWaalsContact O-N 3.11Å | ||
| 2656 | E | 52.5 | Low | 58.8 | Low | 164.5 Ų | 164.5 | 65.2 Ų | 65.2 | 77% | 0.769 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 57.9 | 170.4 | -71.3 | -175.3 | 167.2 | 0 | 0 | 111.1 | S2654 V2658 | S2654-E2656 VanDerWaalsContact C-N 3.28Å; S2654-E2656 PolarHBondContact O-N 3.18Å; E2656-V2658 PolarHBondContact O-N 3.48Å |
| 2657 | E | 57.5 | Low | 58.5 | Low | 139.75 Ų | 139.75 | 75.3 Ų | 75.3 | 65% | 0.653 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 135.1 | 177.1 | -63.8 | -161.3 | 127.1 | 0 | 0 | 111.2 | C2655 P2659 K2683 | C2655-E2657 PolarHBondContact O-N 3.21Å; C2655-E2657 VanDerWaalsContact O-N 3.11Å; E2657-P2659 WeakPolarHBondContact O-CD 3.31Å; E2657-P2659 VanDerWaalsContact O-N 3.11Å; E2657-K2683 IonicContact OE1-NZ 3.38Å; E2657-K2683 PolarHBondContact OE1-NZ 2.95Å; E2657-K2683 IonicContact OE2-NZ 3.57Å |
| 2658 | V | 62.1 | Low | 58.3 | Low | 31.25 Ų | 31.25 | 81.3 Ų | 81.3 | 19% | 0.189 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 125.3 | 171.3 | 176.9 | 0 | 0 | 0 | 0 | 108.6 | E2656 S2660 I2662 I2680 G2690 F2691 | E2656-V2658 PolarHBondContact O-N 3.48Å; V2658-S2660 PolarHBondContact O-N 3.23Å; V2658-I2662 HydrophobicContact CG1-CB 3.82Å; V2658-I2662 HydrophobicContact CG1-CD1 4.36Å; V2658-I2662 HydrophobicContact CG1-CG2 3.8Å; V2658-I2680 HydrophobicContact CG2-CG2 4.35Å; V2658-G2690 WeakPolarHBondContact CG2-O 3.34Å; V2658-F2691 HydrophobicContact CG2-CB 4.41Å |
| 2659 | P | 63.2 | Low | 58 | Low | 31.25 Ų | 31.25 | 78.1 Ų | 78.1 | 20% | 0.203 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -46.9 | 137.3 | 180 | -31.1 | 33.7 | 0 | 0 | 0 | 112.1 | F2649 E2657 S2661 I2662 S2663 | F2649-P2659 HydrophobicContact CD1-CG 3.75Å; F2649-P2659 VanDerWaalsContact CD2-CD 3.46Å; F2649-P2659 HydrophobicContact CD2-CG 3.87Å; F2649-P2659 VanDerWaalsContact CD2-CG 3.44Å; F2649-P2659 HydrophobicContact CE1-CG 3.52Å; F2649-P2659 HydrophobicContact CE2-CB 4.29Å; F2649-P2659 HydrophobicContact CE2-CG 3.21Å; F2649-P2659 HydrophobicContact CG-CG 3.72Å; F2649-P2659 HydrophobicContact CZ-CB 4.4Å; F2649-P2659 HydrophobicContact CZ-CG 3.27Å; E2657-P2659 WeakPolarHBondContact O-CD 3.31Å; E2657-P2659 VanDerWaalsContact O-N 3.11Å; P2659-S2661 VanDerWaalsContact CB-OG 3.3Å; P2659-S2661 WeakPolarHBondContact CB-OG 3.22Å; P2659-S2661 PolarHBondContact O-N 2.9Å; P2659-S2661 VanDerWaalsContact O-N 3.12Å; P2659-I2662 HydrophobicContact CB-CD1 4.45Å; P2659-I2662 HydrophobicContact CB-CG1 4.33Å; P2659-I2662 HydrophobicContact CG-CD1 4.19Å; P2659-I2662 HydrophobicContact CG-CG1 4.45Å; P2659-I2662 PolarHBondContact O-N 3.07Å; P2659-I2662 VanDerWaalsContact O-N 3.11Å; P2659-S2663 PolarHBondContact O-N 3.25Å; P2659-S2663 VanDerWaalsContact O-N 3.08Å; P2659-S2663 PolarHBondContact O-OG 2.95Å |
| 2660 | S | 66 | Low | 58 | Low | 98.25 Ų | 98.25 | 78.4 Ų | 78.4 | 69% | 0.687 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -55.3 | -32.4 | 179.7 | 51.1 | 0 | 0 | 0 | 0 | 112 | V2658 S2663 E2664 | V2658-S2660 PolarHBondContact O-N 3.23Å; S2660-S2663 WeakPolarHBondContact O-CB 3.37Å; S2660-S2663 PolarHBondContact O-N 3.13Å; S2660-E2664 VanDerWaalsContact O-CB 3.23Å; S2660-E2664 WeakPolarHBondContact O-CB 3.34Å; S2660-E2664 PolarHBondContact O-N 3.34Å |
| 2661 | S | 65 | Low | 58.3 | Low | 29.75 Ų | 29.75 | 82.5 Ų | 82.5 | 21% | 0.208 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.9 | 51 | 0 | 0 | 0 | 0 | 113.6 | E2645 P2659 E2664 L2665 | E2645-S2661 WeakPolarHBondContact CG-OG 3.37Å; E2645-S2661 WeakPolarHBondContact OE1-CB 3.22Å; E2645-S2661 PolarHBondContact OE1-OG 3.06Å; E2645-S2661 PolarHBondContact OE2-OG 3.41Å; E2645-S2661 VanDerWaalsContact OE2-OG 3.13Å; P2659-S2661 VanDerWaalsContact CB-OG 3.3Å; P2659-S2661 WeakPolarHBondContact CB-OG 3.22Å; P2659-S2661 PolarHBondContact O-N 2.9Å; P2659-S2661 VanDerWaalsContact O-N 3.12Å; S2661-E2664 PolarHBondContact O-N 2.93Å; S2661-L2665 VanDerWaalsContact O-CB 3.27Å; S2661-L2665 WeakPolarHBondContact O-CB 3.42Å; S2661-L2665 PolarHBondContact O-N 3.16Å |
| 2662 | I | 65.2 | Low | 59.1 | Low | 1.75 Ų | 1.75 | 81.2 Ų | 81.2 | 1% | 0.009 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 174.3 | -63 | 176 | 0 | 0 | 0 | 109.7 | L2642 E2645 V2658 P2659 E2664 L2665 V2666 I2680 F2691 | L2642-I2662 HydrophobicContact CD1-CG1 4.35Å; E2645-I2662 HydrophobicContact CB-CD1 3.92Å; E2645-I2662 HydrophobicContact CB-CG1 3.88Å; E2645-I2662 HydrophobicContact CG-CG1 4.22Å; E2645-I2662 WeakPolarHBondContact OE2-CG1 3.49Å; E2645-I2662 PolarHBondContact OE2-N 2.66Å; V2658-I2662 HydrophobicContact CG1-CB 3.82Å; V2658-I2662 HydrophobicContact CG1-CD1 4.36Å; V2658-I2662 HydrophobicContact CG1-CG2 3.8Å; P2659-I2662 HydrophobicContact CB-CD1 4.45Å; P2659-I2662 HydrophobicContact CB-CG1 4.33Å; P2659-I2662 HydrophobicContact CG-CD1 4.19Å; P2659-I2662 HydrophobicContact CG-CG1 4.45Å; P2659-I2662 PolarHBondContact O-N 3.07Å; P2659-I2662 VanDerWaalsContact O-N 3.11Å; I2662-E2664 VanDerWaalsContact C-N 3.28Å; I2662-E2664 PolarHBondContact O-N 3.24Å; I2662-L2665 WeakPolarHBondContact O-CB 3.34Å; I2662-L2665 PolarHBondContact O-N 3.39Å; I2662-V2666 WeakPolarHBondContact O-CG2 3.25Å; I2662-V2666 PolarHBondContact O-N 3.41Å; I2662-I2680 HydrophobicContact CG2-CD1 4.15Å; I2662-I2680 HydrophobicContact CG2-CG1 4.47Å; I2662-F2691 HydrophobicContact CD1-CD1 4.03Å; I2662-F2691 HydrophobicContact CD1-CD2 4.3Å; I2662-F2691 HydrophobicContact CD1-CE1 3.96Å; I2662-F2691 HydrophobicContact CD1-CE2 4.29Å; I2662-F2691 HydrophobicContact CD1-CG 4.27Å; I2662-F2691 HydrophobicContact CD1-CZ 4.13Å; I2662-F2691 HydrophobicContact CG2-CD2 3.87Å; I2662-F2691 HydrophobicContact CG2-CE2 3.62Å; I2662-F2691 HydrophobicContact CG2-CG 4.48Å; I2662-F2691 HydrophobicContact CG2-CZ 4.22Å |
| 2663 | S | 66.4 | Low | 60.7 | Low | 36.5 Ų | 36.5 | 83 Ų | 83 | 26% | 0.255 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 179.1 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | P2659 S2660 R2667 | P2659-S2663 PolarHBondContact O-N 3.25Å; P2659-S2663 VanDerWaalsContact O-N 3.08Å; P2659-S2663 PolarHBondContact O-OG 2.95Å; S2660-S2663 WeakPolarHBondContact O-CB 3.37Å; S2660-S2663 PolarHBondContact O-N 3.13Å; S2663-R2667 WeakPolarHBondContact O-CG 3.39Å; S2663-R2667 PolarHBondContact O-N 2.86Å; S2663-R2667 VanDerWaalsContact O-N 3.12Å |
| 2664 | E | 67.3 | Low | 62.4 | Low | 114.25 Ų | 114.25 | 81 Ų | 81 | 53% | 0.534 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -74.5 | -37.9 | 177.9 | -165.7 | 170.7 | -167 | 0 | 0 | 111.9 | S2660 S2661 I2662 V2666 R2667 R2668 | S2660-E2664 VanDerWaalsContact O-CB 3.23Å; S2660-E2664 WeakPolarHBondContact O-CB 3.34Å; S2660-E2664 PolarHBondContact O-N 3.34Å; S2661-E2664 PolarHBondContact O-N 2.93Å; I2662-E2664 VanDerWaalsContact C-N 3.28Å; I2662-E2664 PolarHBondContact O-N 3.24Å; E2664-V2666 VanDerWaalsContact C-N 3.31Å; E2664-V2666 PolarHBondContact O-N 2.91Å; E2664-R2667 PolarHBondContact O-N 3.18Å; E2664-R2668 WeakPolarHBondContact O-CG 3.47Å; E2664-R2668 PolarHBondContact O-N 3.19Å; E2664-R2668 VanDerWaalsContact O-N 3.16Å |
| 2665 | L | 61.6 | Low | 64.3 | Low | 30 Ų | 30 | 80.3 Ų | 80.3 | 16% | 0.157 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 173.7 | -168.9 | 77.8 | 0 | 0 | 0 | 111.4 | L2642 S2661 I2662 R2668 | L2642-L2665 HydrophobicContact CB-CD2 3.82Å; L2642-L2665 HydrophobicContact CD1-CD2 3.86Å; L2642-L2665 HydrophobicContact CD2-CD2 4.09Å; L2642-L2665 HydrophobicContact CG-CD2 4.14Å; S2661-L2665 VanDerWaalsContact O-CB 3.27Å; S2661-L2665 WeakPolarHBondContact O-CB 3.42Å; S2661-L2665 PolarHBondContact O-N 3.16Å; I2662-L2665 WeakPolarHBondContact O-CB 3.34Å; I2662-L2665 PolarHBondContact O-N 3.39Å; L2665-R2668 PolarHBondContact O-N 3.2Å |
| 2666 | V | 62.3 | Low | 66.4 | Low | 42.5 Ų | 42.5 | 77 Ų | 77 | 26% | 0.258 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.1 | -38.5 | 177.6 | 176 | 0 | 0 | 0 | 0 | 111.9 | I2662 E2664 R2668 G2669 P2678 I2680 | I2662-V2666 WeakPolarHBondContact O-CG2 3.25Å; I2662-V2666 PolarHBondContact O-N 3.41Å; E2664-V2666 VanDerWaalsContact C-N 3.31Å; E2664-V2666 PolarHBondContact O-N 2.91Å; V2666-R2668 PolarHBondContact O-N 3.12Å; V2666-R2668 VanDerWaalsContact O-N 3.15Å; V2666-G2669 PolarHBondContact O-N 3.15Å; V2666-G2669 VanDerWaalsContact O-N 3.15Å; V2666-P2678 HydrophobicContact CG2-CG 4.15Å; V2666-I2680 HydrophobicContact CB-CD1 3.91Å; V2666-I2680 HydrophobicContact CG1-CD1 4.11Å; V2666-I2680 HydrophobicContact CG2-CD1 3.35Å; V2666-I2680 VanDerWaalsContact CG2-CD1 3.46Å |
| 2667 | R | 62.9 | Low | 67.9 | Low | 215.25 Ų | 215.25 | 71.4 Ų | 71.4 | 81% | 0.812 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.9 | -23.3 | 177 | -85.6 | -172.5 | -178.2 | 130.7 | 1.4 | 114.6 | S2663 E2664 G2669 | S2663-R2667 WeakPolarHBondContact O-CG 3.39Å; S2663-R2667 PolarHBondContact O-N 2.86Å; S2663-R2667 VanDerWaalsContact O-N 3.12Å; E2664-R2667 PolarHBondContact O-N 3.18Å; R2667-G2669 PolarHBondContact O-N 2.98Å; R2667-G2669 VanDerWaalsContact O-N 3.08Å |
| 2668 | R | 63.1 | Low | 69.1 | Low | 163.75 Ų | 163.75 | 65.6 Ų | 65.6 | 62% | 0.618 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -6.8 | 179.3 | -76.6 | -178 | 179.4 | -166.4 | 0.4 | 114.2 | D2586 E2664 L2665 V2666 E2670 | D2586-R2668 IonicContact OD1-NH1 3.76Å; D2586-R2668 PolarHBondContact OD1-NH1 2.76Å; E2664-R2668 WeakPolarHBondContact O-CG 3.47Å; E2664-R2668 PolarHBondContact O-N 3.19Å; E2664-R2668 VanDerWaalsContact O-N 3.16Å; L2665-R2668 PolarHBondContact O-N 3.2Å; V2666-R2668 PolarHBondContact O-N 3.12Å; V2666-R2668 VanDerWaalsContact O-N 3.15Å; R2668-E2670 VanDerWaalsContact C-N 3.3Å; R2668-E2670 HydrophobicContact CB-CG 4.2Å; R2668-E2670 PolarHBondContact O-N 3.17Å |
| 2669 | G | 55.2 | Low | 69.9 | Low | 45.5 Ų | 45.5 | 66.6 Ų | 66.6 | 47% | 0.469 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 23.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V2666 R2667 E2671 | V2666-G2669 PolarHBondContact O-N 3.15Å; V2666-G2669 VanDerWaalsContact O-N 3.15Å; R2667-G2669 PolarHBondContact O-N 2.98Å; R2667-G2669 VanDerWaalsContact O-N 3.08Å; G2669-E2671 PolarHBondContact O-N 3.02Å |
| 2670 | E | 59.6 | Low | 70.4 | Confident | 41.25 Ų | 41.25 | 67.7 Ų | 67.7 | 19% | 0.193 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -74.7 | 0.2 | 179.8 | -67.8 | -175.8 | -168.3 | 0 | 0 | 113.7 | R2668 V2672 K2673 R2696 | R2668-E2670 VanDerWaalsContact C-N 3.3Å; R2668-E2670 HydrophobicContact CB-CG 4.2Å; R2668-E2670 PolarHBondContact O-N 3.17Å; E2670-V2672 PolarHBondContact O-N 3.12Å; E2670-V2672 VanDerWaalsContact O-N 3.1Å; E2670-K2673 PolarHBondContact O-N 3.15Å; E2670-K2673 VanDerWaalsContact O-N 3.15Å; E2670-R2696 IonicContact OE2-CZ 2.92Å; E2670-R2696 IonicContact OE2-NH1 2.94Å; E2670-R2696 PolarHBondContact OE2-NH1 3.31Å; E2670-R2696 IonicContact OE2-NH2 3.24Å; E2670-R2696 PolarHBondContact OE2-NH2 3.24Å |
| 2671 | E | 59.6 | Low | 70.4 | Confident | 98.75 Ų | 98.75 | 64 Ų | 64 | 46% | 0.461 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -57.1 | -22.8 | 178.3 | -56.4 | -164.2 | 153 | 0 | 0 | 112.8 | G2669 K2673 Q2674 | G2669-E2671 PolarHBondContact O-N 3.02Å; E2671-K2673 PolarHBondContact O-N 3.14Å; E2671-K2673 VanDerWaalsContact O-N 3.09Å; E2671-Q2674 WeakPolarHBondContact O-CG 3.31Å; E2671-Q2674 PolarHBondContact O-N 3.23Å |
| 2672 | V | 68 | Low | 70.2 | Confident | 123.5 Ų | 123.5 | 66.8 Ų | 66.8 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -61.3 | -26.4 | 178.9 | -168.8 | 0 | 0 | 0 | 0 | 112.6 | E2670 | E2670-V2672 PolarHBondContact O-N 3.12Å; E2670-V2672 VanDerWaalsContact O-N 3.1Å |
| 2673 | K | 76.5 | Confident | 69.8 | Low | 74.25 Ų | 74.25 | 74.9 Ų | 74.9 | 32% | 0.323 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -92.8 | -17.5 | -179.9 | -62.7 | -167.8 | -172.3 | -177.9 | 0 | 114 | M2582 V2583 E2670 E2671 W2714 V2715 | M2582-K2673 PolarHBondContact O-NZ 3.36Å; V2583-K2673 PolarHBondContact O-NZ 2.99Å; V2583-K2673 VanDerWaalsContact O-NZ 3.1Å; E2670-K2673 PolarHBondContact O-N 3.15Å; E2670-K2673 VanDerWaalsContact O-N 3.15Å; E2671-K2673 PolarHBondContact O-N 3.14Å; E2671-K2673 VanDerWaalsContact O-N 3.09Å; K2673-W2714 HydrophobicContact CB-CE3 4.17Å; K2673-W2714 HydrophobicContact CB-CZ3 3.88Å; K2673-W2714 HydrophobicContact CD-CZ3 3.96Å; K2673-V2715 PolarHBondContact O-N 2.91Å; K2673-V2715 VanDerWaalsContact O-N 3.15Å |
| 2674 | Q | 83.7 | Confident | 69.1 | Low | 23.25 Ų | 23.25 | 83.7 Ų | 83.7 | 11% | 0.109 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -94.9 | 141.7 | -176.1 | 55.7 | -167.4 | -1.4 | 0 | 0 | 110.8 | E2671 R2696 N2713 V2715 | E2671-Q2674 WeakPolarHBondContact O-CG 3.31Å; E2671-Q2674 PolarHBondContact O-N 3.23Å; Q2674-R2696 HydrophobicContact CB-CG 4.29Å; Q2674-R2696 VanDerWaalsContact CG-CD 3.49Å; Q2674-R2696 HydrophobicContact CG-CG 3.78Å; Q2674-R2696 VanDerWaalsContact NE2-NE 3.12Å; Q2674-N2713 WeakPolarHBondContact CA-O 3.39Å; Q2674-V2715 VanDerWaalsContact O-CG1 3.29Å; Q2674-V2715 WeakPolarHBondContact O-CG1 3.28Å |
| 2675 | K | 87.4 | Confident | 68.1 | Low | 85.25 Ų | 85.25 | 84 Ų | 84 | 37% | 0.371 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -72.2 | -43.9 | 177.2 | -176.1 | 174.2 | -179.3 | 167.8 | 0 | 111.6 | S2553 N2713 | S2553-K2675 PolarHBondContact O-NZ 3.12Å; S2553-K2675 PolarHBondContact OG-NZ 2.88Å; K2675-N2713 PolarHBondContact N-O 2.99Å |
| 2676 | Y | 88.9 | Confident | 67.4 | Low | 25.75 Ų | 25.75 | 89.8 Ų | 89.8 | 10% | 0.101 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -128.2 | 131.5 | 179.7 | -63.6 | -68.6 | 0 | 0 | 0 | 110.3 | Q2280 H2281 R2694 N2713 | Q2280-Y2676 HydrophobicContact CB-CD1 3.75Å; Q2280-Y2676 HydrophobicContact CB-CE1 3.91Å; Q2280-Y2676 HydrophobicContact CB-CG 4.33Å; Q2280-Y2676 HydrophobicContact CG-CD1 4.14Å; Q2280-Y2676 WeakPolarHBondContact O-CE1 3.46Å; H2281-Y2676 AromaticContact CE1-CE2 3.77Å; H2281-Y2676 PolarHBondContact ND1-OH 2.78Å; Y2676-R2694 WeakPolarHBondContact O-CB 3.22Å; Y2676-R2694 VanDerWaalsContact O-CG 3.23Å; Y2676-R2694 WeakPolarHBondContact O-CG 3.28Å; Y2676-N2713 PolarHBondContact N-OD1 3.21Å; Y2676-N2713 PolarHBondContact O-ND2 3.17Å; Y2676-N2713 VanDerWaalsContact O-ND2 3.11Å; Y2676-N2713 PolarHBondContact O-OD1 3.07Å |
| 2677 | P | 84.5 | Confident | 66.7 | Low | 48.25 Ų | 48.25 | 90.7 Ų | 90.7 | 31% | 0.313 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 155.8 | -177.8 | 32.8 | -35.3 | 0 | 0 | 0 | 112.5 | Y2276 Q2280 R2694 | Y2276-P2677 PolarHBondContact OH-O 3.22Å; Y2276-P2677 VanDerWaalsContact OH-O 3.06Å; Q2280-P2677 PolarHBondContact NE2-O 3.16Å; P2677-R2694 WeakPolarHBondContact O-CB 3.46Å; P2677-R2694 VanDerWaalsContact O-CG 3.26Å; P2677-R2694 WeakPolarHBondContact O-CG 3.14Å |
| 2678 | P | 83.2 | Confident | 66.1 | Low | 16.5 Ų | 16.5 | 86.4 Ų | 86.4 | 11% | 0.107 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 155 | 168.8 | 29.7 | -34.2 | 0 | 0 | 0 | 110.7 | V2666 F2691 I2692 R2694 | V2666-P2678 HydrophobicContact CG2-CG 4.15Å; P2678-F2691 HydrophobicContact CB-CE2 4.06Å; P2678-I2692 WeakPolarHBondContact CA-O 3.4Å; P2678-I2692 WeakPolarHBondContact CB-O 3.38Å; P2678-R2694 HydrophobicContact CB-CB 4.13Å |
| 2679 | F | 77.8 | Confident | 65.8 | Low | 52.5 Ų | 52.5 | 80.8 Ų | 80.8 | 23% | 0.23 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 130.2 | 171.1 | -176.9 | -105.9 | 0 | 0 | 0 | 109.5 | Y2272 Y2276 A2681 W2689 G2690 F2691 I2692 | Y2272-F2679 HydrophobicContact CE1-CE1 4.5Å; Y2276-F2679 HydrophobicContact CD1-CB 4.16Å; Y2276-F2679 HydrophobicContact CD2-CB 4.05Å; Y2276-F2679 AromaticContact CD2-CD2 3.94Å; Y2276-F2679 HydrophobicContact CD2-CD2 4.02Å; Y2276-F2679 HydrophobicContact CD2-CG 4.24Å; Y2276-F2679 HydrophobicContact CE1-CB 3.81Å; Y2276-F2679 HydrophobicContact CE2-CB 3.72Å; Y2276-F2679 AromaticContact CE2-CD2 3.69Å; Y2276-F2679 HydrophobicContact CE2-CD2 3.69Å; Y2276-F2679 HydrophobicContact CE2-CG 4.07Å; Y2276-F2679 HydrophobicContact CG-CB 4.27Å; F2679-A2681 HydrophobicContact CE1-CB 4.16Å; F2679-A2681 HydrophobicContact CZ-CB 4.46Å; F2679-W2689 HydrophobicContact CE1-CB 3.86Å; F2679-W2689 HydrophobicContact CE1-CE3 4.41Å; F2679-W2689 HydrophobicContact CZ-CB 4.24Å; F2679-W2689 HydrophobicContact CZ-CE3 4.35Å; F2679-G2690 WeakPolarHBondContact CD1-O 3.49Å; F2679-F2691 CarbonylContact O-C 3.42Å; F2679-F2691 VanDerWaalsContact O-CA 3.32Å; F2679-F2691 WeakPolarHBondContact O-CA 3.36Å; F2679-I2692 HydrophobicContact CB-CB 3.71Å; F2679-I2692 HydrophobicContact CB-CD1 3.8Å; F2679-I2692 HydrophobicContact CB-CG1 3.91Å; F2679-I2692 HydrophobicContact CD1-CD1 3.8Å; F2679-I2692 HydrophobicContact CD1-CG1 3.99Å; F2679-I2692 HydrophobicContact CG-CD1 3.98Å; F2679-I2692 HydrophobicContact CG-CG1 4.34Å; F2679-I2692 PolarHBondContact N-O 3Å; F2679-I2692 PolarHBondContact O-N 3.16Å |
| 2680 | I | 73.5 | Confident | 66.1 | Low | 55 Ų | 55 | 79.5 Ų | 79.5 | 28% | 0.282 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.4 | 169.6 | -62.4 | 177.9 | 0 | 0 | 0 | 107.1 | V2658 I2662 V2666 D2682 G2690 F2691 | V2658-I2680 HydrophobicContact CG2-CG2 4.35Å; I2662-I2680 HydrophobicContact CG2-CD1 4.15Å; I2662-I2680 HydrophobicContact CG2-CG1 4.47Å; V2666-I2680 HydrophobicContact CB-CD1 3.91Å; V2666-I2680 HydrophobicContact CG1-CD1 4.11Å; V2666-I2680 HydrophobicContact CG2-CD1 3.35Å; V2666-I2680 VanDerWaalsContact CG2-CD1 3.46Å; I2680-D2682 PolarHBondContact O-N 3.23Å; I2680-G2690 CarbonylContact C-O 3.59Å; I2680-G2690 VanDerWaalsContact CA-O 3.28Å; I2680-G2690 WeakPolarHBondContact CA-O 3.43Å; I2680-F2691 HydrophobicContact CG1-CD2 4.12Å; I2680-F2691 HydrophobicContact CG1-CE2 4.5Å |
| 2681 | A | 66 | Low | 66.8 | Low | 19.5 Ų | 19.5 | 78.1 Ų | 78.1 | 16% | 0.161 | 39% | 0.391 | C | S | . | . | trans | -63 | 133.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | F2679 K2683 C2687 W2689 G2690 | F2679-A2681 HydrophobicContact CE1-CB 4.16Å; F2679-A2681 HydrophobicContact CZ-CB 4.46Å; A2681-K2683 PolarHBondContact O-N 2.76Å; A2681-C2687 WeakPolarHBondContact CB-SG 3.29Å; A2681-W2689 HydrophobicContact CB-CB 4.14Å; A2681-W2689 WeakPolarHBondContact CB-O 3.35Å; A2681-G2690 VanDerWaalsContact CB-CA 3.48Å; A2681-G2690 PolarHBondContact N-O 3.21Å | ||
| 2682 | D | 60.9 | Low | 67.8 | Low | 88.75 Ų | 88.75 | 73.5 Ų | 73.5 | 48% | 0.475 | 37% | 0.37 | S | S | . | . | trans | -69.6 | 131.1 | 169.3 | -172.8 | -5.5 | 0 | 0 | 0 | 108.6 | I2680 R2684 L2685 D2686 | I2680-D2682 PolarHBondContact O-N 3.23Å; D2682-R2684 PolarHBondContact O-N 3.28Å; D2682-R2684 PolarHBondContact OD1-N 2.81Å; D2682-R2684 VanDerWaalsContact OD1-N 3.17Å; D2682-L2685 HydrophobicContact CB-CD1 4.12Å; D2682-L2685 PolarHBondContact O-N 3.05Å; D2682-L2685 VanDerWaalsContact O-N 3.08Å; D2682-D2686 PolarHBondContact O-N 3.41Å | ||
| 2683 | K | 58 | Low | 68.3 | Low | 173.5 Ų | 173.5 | 67.7 Ų | 67.7 | 75% | 0.754 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -17.7 | -179.5 | -68 | -164.8 | 173.9 | -149.6 | 0 | 113.4 | E2657 A2681 | E2657-K2683 IonicContact OE1-NZ 3.38Å; E2657-K2683 PolarHBondContact OE1-NZ 2.95Å; E2657-K2683 IonicContact OE2-NZ 3.57Å; A2681-K2683 PolarHBondContact O-N 2.76Å |
| 2684 | R | 50.1 | Low | 68.8 | Low | 220.25 Ų | 220.25 | 64.2 Ų | 64.2 | 83% | 0.831 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -15.7 | -178.2 | -64.5 | 179.8 | 176.6 | 177.3 | 0.6 | 114.6 | D2682 | D2682-R2684 PolarHBondContact O-N 3.28Å; D2682-R2684 PolarHBondContact OD1-N 2.81Å; D2682-R2684 VanDerWaalsContact OD1-N 3.17Å |
| 2685 | L | 47.8 | Very low | 68.9 | Low | 121.5 Ų | 121.5 | 63.1 Ų | 63.1 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -107.8 | 111.1 | -177 | -76.1 | 116.6 | 0 | 0 | 0 | 110.8 | D2682 C2687 | D2682-L2685 HydrophobicContact CB-CD1 4.12Å; D2682-L2685 PolarHBondContact O-N 3.05Å; D2682-L2685 VanDerWaalsContact O-N 3.08Å; L2685-C2687 PolarHBondContact O-N 3.26Å; L2685-C2687 PolarHBondContact O-SG 3.39Å; L2685-C2687 VanDerWaalsContact O-SG 3.36Å |
| 2686 | D | 46 | Very low | 69 | Low | 150.25 Ų | 150.25 | 59.5 Ų | 59.5 | 80% | 0.803 | 30% | 0.298 | S | S | * | . | trans | -81.3 | 63.8 | 177.4 | -70.6 | -32.7 | 0 | 0 | 0 | 111.5 | D2682 N2688 W2689 | D2682-D2686 PolarHBondContact O-N 3.41Å; D2686-N2688 PolarHBondContact O-N 3.31Å; D2686-W2689 HydrophobicContact CB-CB 3.89Å; D2686-W2689 HydrophobicContact CB-CG 3.99Å; D2686-W2689 PolarHBondContact O-N 3.08Å | ||
| 2687 | C | 48.6 | Very low | 69.1 | Low | 62.5 Ų | 62.5 | 58.3 Ų | 58.3 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | trans | -90 | 109.7 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 110 | A2681 L2685 W2689 | A2681-C2687 WeakPolarHBondContact CB-SG 3.29Å; L2685-C2687 PolarHBondContact O-N 3.26Å; L2685-C2687 PolarHBondContact O-SG 3.39Å; L2685-C2687 VanDerWaalsContact O-SG 3.36Å; C2687-W2689 PolarHBondContact O-N 3.25Å | ||
| 2688 | N | 50.3 | Low | 69.6 | Low | 124.75 Ų | 124.75 | 56.1 Ų | 56.1 | 67% | 0.667 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -68.5 | -3 | 179.6 | -72 | -18.2 | 0 | 0 | 0 | 113.9 | H2349 D2686 | H2349-N2688 HydrophobicContact CB-CB 4.42Å; D2686-N2688 PolarHBondContact O-N 3.31Å |
| 2689 | W | 56 | Low | 70.1 | Confident | 45.5 Ų | 45.5 | 55.3 Ų | 55.3 | 17% | 0.172 | 27% | 0.274 | C | S | . | . | trans | -135 | 122.2 | -172.3 | -83 | 78.7 | 0 | 0 | 0 | 111.1 | Y2272 D2315 I2347 H2349 D2351 I2353 F2649 F2679 A2681 D2686 C2687 F2691 | Y2272-W2689 HydrophobicContact CD1-CB 4.29Å; Y2272-W2689 HydrophobicContact CD1-CG 4.32Å; Y2272-W2689 HydrophobicContact CD2-CD2 4.31Å; Y2272-W2689 AromaticContact CD2-CE3 3.93Å; Y2272-W2689 HydrophobicContact CD2-CE3 3.93Å; Y2272-W2689 HydrophobicContact CD2-CH2 4Å; Y2272-W2689 HydrophobicContact CD2-CZ2 4.47Å; Y2272-W2689 AromaticContact CD2-CZ3 3.72Å; Y2272-W2689 HydrophobicContact CD2-CZ3 3.72Å; Y2272-W2689 HydrophobicContact CE1-CB 4.02Å; Y2272-W2689 HydrophobicContact CE1-CE3 4.34Å; Y2272-W2689 HydrophobicContact CE1-CG 4.28Å; Y2272-W2689 HydrophobicContact CE2-CB 4.2Å; Y2272-W2689 AromaticContact CE2-CD2 3.2Å; Y2272-W2689 HydrophobicContact CE2-CD2 3.2Å; Y2272-W2689 AromaticContact CE2-CE2 3.79Å; Y2272-W2689 AromaticContact CE2-CE3 2.93Å; Y2272-W2689 HydrophobicContact CE2-CE3 2.93Å; Y2272-W2689 AromaticContact CE2-CG 3.79Å; Y2272-W2689 HydrophobicContact CE2-CG 3.79Å; Y2272-W2689 AromaticContact CE2-CH2 3.75Å; Y2272-W2689 HydrophobicContact CE2-CH2 3.75Å; Y2272-W2689 HydrophobicContact CE2-CZ2 4.05Å; Y2272-W2689 AromaticContact CE2-CZ3 3.2Å; Y2272-W2689 HydrophobicContact CE2-CZ3 3.2Å; Y2272-W2689 AromaticContact CZ-CD2 3.63Å; Y2272-W2689 AromaticContact CZ-CE3 3.15Å; Y2272-W2689 AromaticContact CZ-CG 4Å; Y2272-W2689 AromaticContact CZ-CZ3 3.72Å; Y2272-W2689 WeakPolarHBondContact OH-CA 3.44Å; Y2272-W2689 WeakPolarHBondContact OH-CB 3.36Å; Y2272-W2689 VanDerWaalsContact OH-CD2 3.3Å; D2315-W2689 WeakPolarHBondContact OD1-CZ2 3.39Å; I2347-W2689 HydrophobicContact CD1-CH2 4.31Å; H2349-W2689 VanDerWaalsContact O-CD1 3.24Å; H2349-W2689 PolarHBondContact O-NE1 3.25Å; D2351-W2689 HydrophobicContact CB-CH2 3.14Å; D2351-W2689 HydrophobicContact CB-CZ2 3.28Å; D2351-W2689 HydrophobicContact CB-CZ3 4.03Å; D2351-W2689 WeakPolarHBondContact OD1-CH2 3.4Å; D2351-W2689 WeakPolarHBondContact OD1-CZ2 3.42Å; I2353-W2689 HydrophobicContact CD1-CH2 3.89Å; I2353-W2689 HydrophobicContact CD1-CZ3 3.77Å; F2649-W2689 AromaticContact CD1-CH2 3.98Å; F2649-W2689 HydrophobicContact CD1-CH2 3.98Å; F2649-W2689 AromaticContact CD1-CZ2 3.92Å; F2649-W2689 HydrophobicContact CD1-CZ2 3.92Å; F2649-W2689 HydrophobicContact CE1-CD2 4.14Å; F2649-W2689 AromaticContact CE1-CE2 3.84Å; F2649-W2689 HydrophobicContact CE1-CE3 4.29Å; F2649-W2689 AromaticContact CE1-CH2 3.98Å; F2649-W2689 HydrophobicContact CE1-CH2 3.98Å; F2649-W2689 AromaticContact CE1-CZ2 3.77Å; F2649-W2689 HydrophobicContact CE1-CZ2 3.77Å; F2649-W2689 HydrophobicContact CE1-CZ3 4.23Å; F2679-W2689 HydrophobicContact CE1-CB 3.86Å; F2679-W2689 HydrophobicContact CE1-CE3 4.41Å; F2679-W2689 HydrophobicContact CZ-CB 4.24Å; F2679-W2689 HydrophobicContact CZ-CE3 4.35Å; A2681-W2689 HydrophobicContact CB-CB 4.14Å; A2681-W2689 WeakPolarHBondContact CB-O 3.35Å; D2686-W2689 HydrophobicContact CB-CB 3.89Å; D2686-W2689 HydrophobicContact CB-CG 3.99Å; D2686-W2689 PolarHBondContact O-N 3.08Å; C2687-W2689 PolarHBondContact O-N 3.25Å; W2689-F2691 WeakPolarHBondContact CZ3-O 3.36Å | ||
| 2690 | G | 62.8 | Low | 71 | Confident | 18.75 Ų | 18.75 | 52.8 Ų | 52.8 | 19% | 0.193 | 26% | 0.263 | C | S | . | . | trans | -98.5 | -24.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y2272 V2658 F2679 I2680 A2681 | Y2272-G2690 PolarHBondContact OH-N 3.3Å; V2658-G2690 WeakPolarHBondContact CG2-O 3.34Å; F2679-G2690 WeakPolarHBondContact CD1-O 3.49Å; I2680-G2690 CarbonylContact C-O 3.59Å; I2680-G2690 VanDerWaalsContact CA-O 3.28Å; I2680-G2690 WeakPolarHBondContact CA-O 3.43Å; A2681-G2690 VanDerWaalsContact CB-CA 3.48Å; A2681-G2690 PolarHBondContact N-O 3.21Å | ||
| 2691 | F | 73 | Confident | 71.9 | Confident | 12.25 Ų | 12.25 | 50.6 Ų | 50.6 | 5% | 0.054 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130.2 | -173.6 | 175.3 | -112.4 | 0 | 0 | 0 | 112.9 | L2642 T2646 F2649 V2658 I2662 P2678 F2679 I2680 W2689 P2693 | L2642-F2691 HydrophobicContact CD1-CE1 4.48Å; L2642-F2691 HydrophobicContact CD1-CE2 4.43Å; L2642-F2691 HydrophobicContact CD1-CZ 3.76Å; T2646-F2691 HydrophobicContact CG2-CE1 4.4Å; F2649-F2691 HydrophobicContact CD1-CB 4.11Å; F2649-F2691 HydrophobicContact CD1-CD1 4.11Å; F2649-F2691 HydrophobicContact CD1-CG 4.45Å; F2649-F2691 HydrophobicContact CE1-CB 3.76Å; F2649-F2691 HydrophobicContact CG-CD1 4.47Å; F2649-F2691 HydrophobicContact CZ-CB 4.24Å; V2658-F2691 HydrophobicContact CG2-CB 4.41Å; I2662-F2691 HydrophobicContact CD1-CD1 4.03Å; I2662-F2691 HydrophobicContact CD1-CD2 4.3Å; I2662-F2691 HydrophobicContact CD1-CE1 3.96Å; I2662-F2691 HydrophobicContact CD1-CE2 4.29Å; I2662-F2691 HydrophobicContact CD1-CG 4.27Å; I2662-F2691 HydrophobicContact CD1-CZ 4.13Å; I2662-F2691 HydrophobicContact CG2-CD2 3.87Å; I2662-F2691 HydrophobicContact CG2-CE2 3.62Å; I2662-F2691 HydrophobicContact CG2-CG 4.48Å; I2662-F2691 HydrophobicContact CG2-CZ 4.22Å; P2678-F2691 HydrophobicContact CB-CE2 4.06Å; F2679-F2691 CarbonylContact O-C 3.42Å; F2679-F2691 VanDerWaalsContact O-CA 3.32Å; F2679-F2691 WeakPolarHBondContact O-CA 3.36Å; I2680-F2691 HydrophobicContact CG1-CD2 4.12Å; I2680-F2691 HydrophobicContact CG1-CE2 4.5Å; W2689-F2691 WeakPolarHBondContact CZ3-O 3.36Å; F2691-P2693 HydrophobicContact CE1-CB 3.95Å; F2691-P2693 HydrophobicContact CZ-CB 4.04Å |
| 2692 | I | 79.9 | Confident | 73.1 | Confident | 1.5 Ų | 1.5 | 49.7 Ų | 49.7 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.7 | 168.4 | -52.7 | 166.8 | 0 | 0 | 0 | 108.1 | Y2272 P2273 Y2276 Y2277 P2678 F2679 | Y2272-I2692 HydrophobicContact CD1-CD1 3.97Å; Y2272-I2692 HydrophobicContact CD1-CG1 4.36Å; Y2272-I2692 HydrophobicContact CE1-CD1 3.64Å; Y2272-I2692 VanDerWaalsContact CE1-CD1 3.47Å; Y2272-I2692 HydrophobicContact CE1-CG1 4.05Å; P2273-I2692 HydrophobicContact CB-CG2 3.89Å; Y2276-I2692 VanDerWaalsContact CB-CD1 3.48Å; Y2276-I2692 HydrophobicContact CD1-CB 4.27Å; Y2276-I2692 HydrophobicContact CD1-CD1 4.01Å; Y2276-I2692 HydrophobicContact CD1-CG2 3.99Å; Y2276-I2692 HydrophobicContact CD2-CD1 4.34Å; Y2276-I2692 HydrophobicContact CG-CD1 3.7Å; Y2277-I2692 HydrophobicContact CE1-CG2 3.78Å; Y2277-I2692 WeakPolarHBondContact OH-CG2 3.35Å; P2678-I2692 WeakPolarHBondContact CA-O 3.4Å; P2678-I2692 WeakPolarHBondContact CB-O 3.38Å; F2679-I2692 HydrophobicContact CB-CB 3.71Å; F2679-I2692 HydrophobicContact CB-CD1 3.8Å; F2679-I2692 HydrophobicContact CB-CG1 3.91Å; F2679-I2692 HydrophobicContact CD1-CD1 3.8Å; F2679-I2692 HydrophobicContact CD1-CG1 3.99Å; F2679-I2692 HydrophobicContact CG-CD1 3.98Å; F2679-I2692 HydrophobicContact CG-CG1 4.34Å; F2679-I2692 PolarHBondContact N-O 3Å; F2679-I2692 PolarHBondContact O-N 3.16Å |
| 2693 | P | 79.9 | Confident | 74.4 | Confident | 2.5 Ų | 2.5 | 47.1 Ų | 47.1 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | trans | -69.1 | 143.7 | -175.7 | 29.8 | -35.3 | 0 | 0 | 0 | 111.7 | Y2277 E2431 Y2432 T2646 F2691 Q2695 | Y2277-P2693 PolarHBondContact OH-O 2.89Å; E2431-P2693 HydrophobicContact CB-CG 4.39Å; Y2432-P2693 HydrophobicContact CE1-CG 4.41Å; Y2432-P2693 HydrophobicContact CE2-CG 4.42Å; Y2432-P2693 WeakPolarHBondContact OH-CD 3.41Å; T2646-P2693 HydrophobicContact CG2-CB 3.72Å; T2646-P2693 HydrophobicContact CG2-CG 3.76Å; F2691-P2693 HydrophobicContact CE1-CB 3.95Å; F2691-P2693 HydrophobicContact CZ-CB 4.04Å; P2693-Q2695 HydrophobicContact CB-CG 4.44Å | ||
| 2694 | R | 86.4 | Confident | 75.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | trans | -137.6 | 91.4 | 162.4 | -91.7 | -44.8 | -84.8 | -168 | -0.9 | 108 | Y2276 Y2277 D2427 E2431 S2554 Y2676 P2677 P2678 Y2712 N2713 | Y2276-R2694 HydrophobicContact CE1-CG 4.36Å; Y2277-R2694 VanDerWaalsContact CE1-CD 3.4Å; Y2277-R2694 HydrophobicContact CE1-CG 4.2Å; D2427-R2694 VanDerWaalsContact CG-NH1 3.33Å; D2427-R2694 IonicContact OD1-CZ 3.4Å; D2427-R2694 IonicContact OD1-NH1 3.26Å; D2427-R2694 IonicContact OD1-NH2 3.47Å; D2427-R2694 PolarHBondContact OD1-NH2 3.23Å; D2427-R2694 IonicContact OD2-CZ 3.22Å; D2427-R2694 IonicContact OD2-NH1 3.27Å; D2427-R2694 PolarHBondContact OD2-NH1 3.13Å; D2427-R2694 IonicContact OD2-NH2 3.71Å; D2427-R2694 PolarHBondContact OD2-NH2 3.22Å; D2427-R2694 VanDerWaalsContact OD2-NH2 3.14Å; E2431-R2694 WeakPolarHBondContact OE1-CA 3.36Å; E2431-R2694 IonicContact OE1-CZ 3.16Å; E2431-R2694 IonicContact OE1-NE 2.68Å; E2431-R2694 IonicContact OE1-NH1 2.75Å; E2431-R2694 PolarHBondContact OE1-NH1 3.41Å; S2554-R2694 PolarHBondContact OG-NH2 3.41Å; Y2676-R2694 WeakPolarHBondContact O-CB 3.22Å; Y2676-R2694 VanDerWaalsContact O-CG 3.23Å; Y2676-R2694 WeakPolarHBondContact O-CG 3.28Å; P2677-R2694 WeakPolarHBondContact O-CB 3.46Å; P2677-R2694 VanDerWaalsContact O-CG 3.26Å; P2677-R2694 WeakPolarHBondContact O-CG 3.14Å; P2678-R2694 HydrophobicContact CB-CB 4.13Å; R2694-Y2712 PolarHBondContact NH1-OH 3.1Å; R2694-Y2712 PolarHBondContact NH2-OH 3.48Å; R2694-N2713 WeakPolarHBondContact CG-ND2 3.24Å; R2694-N2713 PolarHBondContact NH2-OD1 3.37Å | ||
| 2695 | Q | 86 | Confident | 77.4 | Confident | 0.25 Ų | 0.25 | 35.4 Ų | 35.4 | 0% | 0.001 | 19% | 0.193 | C | C | . | . | trans | -86.7 | 163.4 | -174.1 | -62.4 | -177.7 | 63.1 | 0 | 0 | 110.8 | E2431 L2435 P2639 L2642 P2693 Y2712 N2713 | E2431-Q2695 PolarHBondContact OE1-N 3.18Å; E2431-Q2695 WeakPolarHBondContact OE2-CG 3.31Å; E2431-Q2695 PolarHBondContact OE2-N 3.18Å; E2431-Q2695 PolarHBondContact OE2-NE2 3.19Å; L2435-Q2695 HydrophobicContact CD1-CB 3.8Å; L2435-Q2695 HydrophobicContact CD1-CG 4.45Å; P2639-Q2695 HydrophobicContact CG-CB 4.47Å; L2642-Q2695 HydrophobicContact CD2-CB 4.44Å; L2642-Q2695 HydrophobicContact CD2-CG 3.85Å; L2642-Q2695 HydrophobicContact CG-CG 4.12Å; P2693-Q2695 HydrophobicContact CB-CG 4.44Å; Q2695-Y2712 WeakPolarHBondContact O-CE1 3.35Å; Q2695-N2713 VanDerWaalsContact O-CB 3.25Å; Q2695-N2713 WeakPolarHBondContact O-CB 3.32Å; Q2695-N2713 PolarHBondContact O-ND2 3.08Å; Q2695-N2713 VanDerWaalsContact O-ND2 3.08Å | ||
| 2696 | R | 89.1 | Confident | 79.4 | Confident | 8.75 Ų | 8.75 | 32.9 Ų | 32.9 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | trans | -108.4 | 132.6 | 171.2 | -73 | 171.9 | -73.9 | 165.7 | 1.7 | 108 | D2586 I2587 P2639 E2670 Q2674 W2714 | D2586-R2696 IonicContact OD2-CZ 2.8Å; D2586-R2696 IonicContact OD2-NH1 2.85Å; D2586-R2696 PolarHBondContact OD2-NH1 3.16Å; D2586-R2696 VanDerWaalsContact OD2-NH1 3.08Å; D2586-R2696 IonicContact OD2-NH2 2.69Å; D2586-R2696 PolarHBondContact OD2-NH2 2.9Å; I2587-R2696 HydrophobicContact CD1-CB 4.16Å; P2639-R2696 WeakPolarHBondContact CD-O 3.36Å; E2670-R2696 IonicContact OE2-CZ 2.92Å; E2670-R2696 IonicContact OE2-NH1 2.94Å; E2670-R2696 PolarHBondContact OE2-NH1 3.31Å; E2670-R2696 IonicContact OE2-NH2 3.24Å; E2670-R2696 PolarHBondContact OE2-NH2 3.24Å; Q2674-R2696 HydrophobicContact CB-CG 4.29Å; Q2674-R2696 VanDerWaalsContact CG-CD 3.49Å; Q2674-R2696 HydrophobicContact CG-CG 3.78Å; Q2674-R2696 VanDerWaalsContact NE2-NE 3.12Å; R2696-W2714 HydrophobicContact CB-CZ2 3.82Å; R2696-W2714 HydrophobicContact CG-CD2 4.4Å; R2696-W2714 HydrophobicContact CG-CZ2 4.31Å | ||
| 2697 | L | 92.4 | Very high | 81.6 | Confident | 0.5 Ų | 0.5 | 25.7 Ų | 25.7 | 0% | 0.003 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.8 | 175.3 | 167.2 | 71.5 | 0 | 0 | 0 | 108.9 | L2434 L2435 L2544 V2636 L2638 Y2712 W2714 | L2434-L2697 HydrophobicContact CD2-CD2 4.16Å; L2435-L2697 HydrophobicContact CD2-CB 4.13Å; L2435-L2697 HydrophobicContact CD2-CD1 4.49Å; L2435-L2697 HydrophobicContact CD2-CD2 4.09Å; L2435-L2697 HydrophobicContact CD2-CG 4.47Å; L2544-L2697 HydrophobicContact CD1-CD2 4.07Å; V2636-L2697 HydrophobicContact CG1-CD1 3.92Å; L2638-L2697 HydrophobicContact CD2-CB 4.2Å; L2638-L2697 HydrophobicContact CD2-CD1 3.68Å; L2638-L2697 HydrophobicContact CD2-CG 4.49Å; L2638-L2697 HydrophobicContact CG-CD1 3.92Å; L2697-Y2712 HydrophobicContact CB-CD1 4.35Å; L2697-Y2712 PolarHBondContact N-O 3.27Å; L2697-Y2712 PolarHBondContact O-N 3.14Å; L2697-W2714 PolarHBondContact O-NE1 3Å |
| 2698 | V | 93.7 | Very high | 83.8 | Confident | 1.75 Ų | 1.75 | 25.7 Ų | 25.7 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 121.1 | 163.4 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | I2579 V2583 G2637 L2709 Y2710 W2714 F2718 L2722 | I2579-V2698 HydrophobicContact CD1-CG1 4.43Å; I2579-V2698 HydrophobicContact CG2-CB 4.27Å; I2579-V2698 HydrophobicContact CG2-CG1 3.81Å; V2583-V2698 HydrophobicContact CG1-CG2 3.91Å; G2637-V2698 PolarHBondContact N-O 3.18Å; G2637-V2698 PolarHBondContact O-N 3.17Å; G2637-V2698 VanDerWaalsContact O-N 3.07Å; V2698-L2709 HydrophobicContact CG1-CD1 3.69Å; V2698-Y2710 CarbonylContact C-O 3.49Å; V2698-Y2710 WeakPolarHBondContact CA-O 3.43Å; V2698-W2714 HydrophobicContact CG2-CZ2 3.84Å; V2698-W2714 VanDerWaalsContact CG2-NE1 3.35Å; V2698-F2718 HydrophobicContact CG2-CE1 4.42Å; V2698-F2718 HydrophobicContact CG2-CZ 4.42Å; V2698-L2722 HydrophobicContact CG1-CD2 4.5Å |
| 2699 | L | 94.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.9 | 176.5 | -171.3 | 73.5 | 0 | 0 | 0 | 108.7 | A2540 V2541 L2544 L2634 I2635 V2636 L2709 Y2710 | A2540-L2699 HydrophobicContact CB-CD2 4.01Å; V2541-L2699 HydrophobicContact CG2-CD2 3.74Å; L2544-L2699 HydrophobicContact CD1-CB 4.05Å; L2544-L2699 HydrophobicContact CD1-CD2 3.73Å; L2634-L2699 HydrophobicContact CD1-CD1 3.9Å; L2634-L2699 HydrophobicContact CD1-CD2 4.4Å; L2634-L2699 HydrophobicContact CD1-CG 4.16Å; L2634-L2699 HydrophobicContact CD2-CD1 4.07Å; L2634-L2699 HydrophobicContact CG-CD1 3.95Å; I2635-L2699 WeakPolarHBondContact O-CA 3.32Å; V2636-L2699 HydrophobicContact CB-CD1 4.46Å; V2636-L2699 HydrophobicContact CG1-CD1 4.33Å; V2636-L2699 HydrophobicContact CG2-CD1 3.78Å; L2699-L2709 CarbonylContact O-C 3.54Å; L2699-Y2710 HydrophobicContact CB-CD2 4.28Å; L2699-Y2710 HydrophobicContact CD2-CD2 4.22Å; L2699-Y2710 HydrophobicContact CG-CD2 4.46Å; L2699-Y2710 PolarHBondContact N-O 3.18Å; L2699-Y2710 WeakPolarHBondContact O-CD2 3.31Å; L2699-Y2710 PolarHBondContact O-N 3.19Å |
| 2700 | F | 95.1 | Very high | 87.8 | Confident | 0.25 Ų | 0.25 | 17.6 Ų | 17.6 | 0% | 0.001 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.5 | 172.9 | 169.7 | -74.2 | 0 | 0 | 0 | 108.2 | V2572 C2575 I2579 L2634 I2635 L2702 L2707 R2708 L2709 | V2572-F2700 HydrophobicContact CG2-CE1 4.31Å; C2575-F2700 HydrophobicContact CB-CD2 4.36Å; C2575-F2700 HydrophobicContact CB-CE2 3.69Å; C2575-F2700 HydrophobicContact CB-CZ 4.01Å; I2579-F2700 HydrophobicContact CD1-CB 4.06Å; I2579-F2700 HydrophobicContact CD1-CD2 4.21Å; I2579-F2700 HydrophobicContact CD1-CG 4.43Å; L2634-F2700 CarbonylContact C-O 3.57Å; L2634-F2700 VanDerWaalsContact CA-O 3.29Å; L2634-F2700 WeakPolarHBondContact CA-O 3.37Å; L2634-F2700 WeakPolarHBondContact CD1-O 3.26Å; I2635-F2700 HydrophobicContact CB-CB 4.05Å; I2635-F2700 HydrophobicContact CB-CD1 4.46Å; I2635-F2700 HydrophobicContact CD1-CB 4.35Å; I2635-F2700 HydrophobicContact CD1-CD1 3.76Å; I2635-F2700 HydrophobicContact CD1-CE1 4.19Å; I2635-F2700 HydrophobicContact CD1-CG 4.09Å; I2635-F2700 HydrophobicContact CG1-CB 4.41Å; I2635-F2700 HydrophobicContact CG1-CD1 4Å; I2635-F2700 HydrophobicContact CG1-CG 4.47Å; I2635-F2700 PolarHBondContact N-O 3.19Å; I2635-F2700 PolarHBondContact O-N 3.3Å; F2700-L2702 HydrophobicContact CE1-CB 3.87Å; F2700-L2702 HydrophobicContact CZ-CB 4.43Å; F2700-L2707 HydrophobicContact CD2-CD2 3.89Å; F2700-L2707 HydrophobicContact CD2-CG 4.27Å; F2700-L2707 HydrophobicContact CE1-CD1 4.45Å; F2700-L2707 HydrophobicContact CE1-CG 4.37Å; F2700-L2707 HydrophobicContact CE2-CD1 3.47Å; F2700-L2707 VanDerWaalsContact CE2-CD1 3.46Å; F2700-L2707 HydrophobicContact CE2-CD2 3.37Å; F2700-L2707 VanDerWaalsContact CE2-CD2 3.43Å; F2700-L2707 HydrophobicContact CE2-CG 3.44Å; F2700-L2707 VanDerWaalsContact CE2-CG 3.44Å; F2700-L2707 HydrophobicContact CZ-CD1 3.38Å; F2700-L2707 VanDerWaalsContact CZ-CD1 3.48Å; F2700-L2707 HydrophobicContact CZ-CD2 3.99Å; F2700-L2707 HydrophobicContact CZ-CG 3.48Å; F2700-L2707 VanDerWaalsContact CZ-CG 3.45Å; F2700-R2708 CarbonylContact C-O 3.55Å; F2700-R2708 WeakPolarHBondContact CA-O 3.43Å; F2700-L2709 HydrophobicContact CB-CD1 4.09Å; F2700-L2709 HydrophobicContact CD2-CD1 4.39Å |
| 2701 | S | 93.8 | Very high | 89.3 | Confident | 9 Ų | 9 | 16.8 Ų | 16.8 | 6% | 0.063 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128 | 178 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | F2633 L2707 R2708 | F2633-S2701 WeakPolarHBondContact O-CA 3.19Å; S2701-L2707 CarbonylContact O-C 3.54Å; S2701-L2707 WeakPolarHBondContact O-CA 3.33Å; S2701-R2708 PolarHBondContact N-O 2.88Å; S2701-R2708 PolarHBondContact O-N 3.22Å |
| 2702 | L | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 110.9 | 171.6 | 173.9 | 60.7 | 0 | 0 | 0 | 108.4 | L2562 R2568 V2572 S2632 F2633 F2700 L2707 | L2562-L2702 HydrophobicContact CD1-CD1 3.57Å; L2562-L2702 HydrophobicContact CD1-CD2 4.31Å; L2562-L2702 HydrophobicContact CG-CD1 4.36Å; R2568-L2702 HydrophobicContact CB-CD2 4.06Å; R2568-L2702 HydrophobicContact CG-CD2 4.37Å; V2572-L2702 HydrophobicContact CG2-CD2 3.49Å; V2572-L2702 VanDerWaalsContact CG2-CD2 3.46Å; S2632-L2702 VanDerWaalsContact CA-O 3.31Å; S2632-L2702 WeakPolarHBondContact CA-O 3.32Å; F2633-L2702 HydrophobicContact CB-CB 4.27Å; F2633-L2702 HydrophobicContact CD2-CD2 4.07Å; F2633-L2702 HydrophobicContact CD2-CG 4.49Å; F2633-L2702 PolarHBondContact N-O 2.96Å; F2633-L2702 PolarHBondContact O-N 3.18Å; F2700-L2702 HydrophobicContact CE1-CB 3.87Å; F2700-L2702 HydrophobicContact CZ-CB 4.43Å; L2702-L2707 HydrophobicContact CD1-CB 4.09Å |
| 2703 | C | 86.9 | Confident | 91 | Very high | 35.25 Ų | 35.25 | 16.2 Ų | 16.2 | 24% | 0.238 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 116.9 | -177.6 | -165.5 | 0 | 0 | 0 | 0 | 110 | R2597 S2632 Y2705 E2706 | R2597-C2703 VanDerWaalsContact CZ-SG 3.58Å; R2597-C2703 PolarHBondContact NE-SG 3.34Å; R2597-C2703 PolarHBondContact NH2-SG 3.24Å; R2597-C2703 VanDerWaalsContact NH2-SG 3.42Å; S2632-C2703 PolarHBondContact OG-SG 2.87Å; S2632-C2703 VanDerWaalsContact OG-SG 3.34Å; C2703-Y2705 PolarHBondContact O-N 2.95Å; C2703-E2706 PolarHBondContact N-O 3.02Å; C2703-E2706 PolarHBondContact O-N 3.21Å; C2703-E2706 VanDerWaalsContact O-N 3.09Å |
| 2704 | G | 84.2 | Confident | 91.6 | Very high | 24.25 Ų | 24.25 | 16.4 Ų | 16.4 | 25% | 0.25 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -123.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N2565 R2568 | N2565-G2704 PolarHBondContact OD1-O 3.27Å; R2568-G2704 PolarHBondContact NH1-O 2.95Å |
| 2705 | Y | 87.1 | Confident | 91.8 | Very high | 122.25 Ų | 122.25 | 18.1 Ų | 18.1 | 48% | 0.479 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.3 | 177.4 | -58.5 | -75.2 | 0 | 0 | 0 | 113.6 | T2561 L2562 N2565 C2703 | T2561-Y2705 CarbonylContact C-O 3.56Å; T2561-Y2705 WeakPolarHBondContact CA-O 3.29Å; L2562-Y2705 PolarHBondContact N-O 3.21Å; L2562-Y2705 WeakPolarHBondContact O-CD1 3.47Å; N2565-Y2705 VanDerWaalsContact ND2-CZ 3.33Å; N2565-Y2705 PolarHBondContact ND2-OH 3.09Å; N2565-Y2705 WeakPolarHBondContact OD1-CD1 3.21Å; N2565-Y2705 VanDerWaalsContact OD1-CE1 3.28Å; N2565-Y2705 WeakPolarHBondContact OD1-CE1 3.36Å; C2703-Y2705 PolarHBondContact O-N 2.95Å |
| 2706 | E | 90.1 | Very high | 91.9 | Very high | 68.75 Ų | 68.75 | 21.4 Ų | 21.4 | 32% | 0.321 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 125.6 | -176.8 | -115.6 | -173.4 | 166.3 | 0 | 0 | 110.8 | R2557 V2559 C2703 R2708 | R2557-E2706 IonicContact NH2-OE1 3.14Å; R2557-E2706 PolarHBondContact NH2-OE1 3.07Å; V2559-E2706 HydrophobicContact CG1-CG 3.57Å; V2559-E2706 VanDerWaalsContact CG1-OE1 3.23Å; V2559-E2706 WeakPolarHBondContact CG1-OE1 3.37Å; C2703-E2706 PolarHBondContact N-O 3.02Å; C2703-E2706 PolarHBondContact O-N 3.21Å; C2703-E2706 VanDerWaalsContact O-N 3.09Å; E2706-R2708 VanDerWaalsContact CD-NH2 3.28Å; E2706-R2708 HydrophobicContact CG-CG 4.21Å; E2706-R2708 IonicContact OE1-CZ 3.77Å; E2706-R2708 VanDerWaalsContact OE1-CZ 3.29Å; E2706-R2708 IonicContact OE1-NE 2.8Å; E2706-R2708 PolarHBondContact OE1-NE 2.93Å; E2706-R2708 IonicContact OE1-NH2 3.71Å; E2706-R2708 PolarHBondContact OE1-NH2 3.1Å; E2706-R2708 VanDerWaalsContact OE1-NH2 3.11Å; E2706-R2708 IonicContact OE2-CZ 3.45Å; E2706-R2708 VanDerWaalsContact OE2-CZ 3.31Å; E2706-R2708 IonicContact OE2-NE 3.06Å; E2706-R2708 PolarHBondContact OE2-NE 3.19Å; E2706-R2708 VanDerWaalsContact OE2-NE 3.11Å; E2706-R2708 IonicContact OE2-NH2 3.31Å; E2706-R2708 PolarHBondContact OE2-NH2 3.23Å |
| 2707 | L | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.6 | 172.6 | -174.1 | 162.1 | 0 | 0 | 0 | 107.7 | V2559 F2560 L2571 F2700 S2701 L2702 I2726 V2730 | V2559-L2707 CarbonylContact C-O 3.4Å; V2559-L2707 WeakPolarHBondContact CA-O 3.31Å; F2560-L2707 HydrophobicContact CB-CB 4.23Å; F2560-L2707 HydrophobicContact CB-CD2 4.31Å; F2560-L2707 HydrophobicContact CD2-CD2 3.51Å; F2560-L2707 VanDerWaalsContact CD2-CD2 3.44Å; F2560-L2707 HydrophobicContact CE2-CD2 4.2Å; F2560-L2707 HydrophobicContact CG-CD2 4.25Å; F2560-L2707 PolarHBondContact N-O 2.99Å; F2560-L2707 PolarHBondContact O-N 3.16Å; L2571-L2707 HydrophobicContact CD2-CD1 4.41Å; F2700-L2707 HydrophobicContact CD2-CD2 3.89Å; F2700-L2707 HydrophobicContact CD2-CG 4.27Å; F2700-L2707 HydrophobicContact CE1-CD1 4.45Å; F2700-L2707 HydrophobicContact CE1-CG 4.37Å; F2700-L2707 HydrophobicContact CE2-CD1 3.47Å; F2700-L2707 VanDerWaalsContact CE2-CD1 3.46Å; F2700-L2707 HydrophobicContact CE2-CD2 3.37Å; F2700-L2707 VanDerWaalsContact CE2-CD2 3.43Å; F2700-L2707 HydrophobicContact CE2-CG 3.44Å; F2700-L2707 VanDerWaalsContact CE2-CG 3.44Å; F2700-L2707 HydrophobicContact CZ-CD1 3.38Å; F2700-L2707 VanDerWaalsContact CZ-CD1 3.48Å; F2700-L2707 HydrophobicContact CZ-CD2 3.99Å; F2700-L2707 HydrophobicContact CZ-CG 3.48Å; F2700-L2707 VanDerWaalsContact CZ-CG 3.45Å; S2701-L2707 CarbonylContact O-C 3.54Å; S2701-L2707 WeakPolarHBondContact O-CA 3.33Å; L2702-L2707 HydrophobicContact CD1-CB 4.09Å; L2707-I2726 HydrophobicContact CD2-CG2 4.25Å; L2707-V2730 HydrophobicContact CD1-CG2 4.03Å |
| 2708 | R | 94.8 | Very high | 91.7 | Very high | 62 Ų | 62 | 26.8 Ų | 26.8 | 23% | 0.234 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.3 | 179.4 | -56.5 | -173.8 | -176.5 | 170.1 | 3 | 109.6 | D2545 I2558 V2559 F2700 S2701 E2706 Y2710 | D2545-R2708 IonicContact OD2-CZ 2.78Å; D2545-R2708 IonicContact OD2-NH1 3.3Å; D2545-R2708 PolarHBondContact OD2-NH1 3.12Å; I2558-R2708 WeakPolarHBondContact O-CA 3.38Å; V2559-R2708 HydrophobicContact CG1-CG 4.35Å; V2559-R2708 HydrophobicContact CG2-CG 4.28Å; F2700-R2708 CarbonylContact C-O 3.55Å; F2700-R2708 WeakPolarHBondContact CA-O 3.43Å; S2701-R2708 PolarHBondContact N-O 2.88Å; S2701-R2708 PolarHBondContact O-N 3.22Å; E2706-R2708 VanDerWaalsContact CD-NH2 3.28Å; E2706-R2708 HydrophobicContact CG-CG 4.21Å; E2706-R2708 IonicContact OE1-CZ 3.77Å; E2706-R2708 VanDerWaalsContact OE1-CZ 3.29Å; E2706-R2708 IonicContact OE1-NE 2.8Å; E2706-R2708 PolarHBondContact OE1-NE 2.93Å; E2706-R2708 IonicContact OE1-NH2 3.71Å; E2706-R2708 PolarHBondContact OE1-NH2 3.1Å; E2706-R2708 VanDerWaalsContact OE1-NH2 3.11Å; E2706-R2708 IonicContact OE2-CZ 3.45Å; E2706-R2708 VanDerWaalsContact OE2-CZ 3.31Å; E2706-R2708 IonicContact OE2-NE 3.06Å; E2706-R2708 PolarHBondContact OE2-NE 3.19Å; E2706-R2708 VanDerWaalsContact OE2-NE 3.11Å; E2706-R2708 IonicContact OE2-NH2 3.31Å; E2706-R2708 PolarHBondContact OE2-NH2 3.23Å; R2708-Y2710 HydrophobicContact CB-CE2 3.66Å; R2708-Y2710 WeakPolarHBondContact CD-OH 3.34Å |
| 2709 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.1 | 172.9 | 178.9 | 71.8 | 0 | 0 | 0 | 108.9 | R2557 I2558 I2579 V2698 L2699 F2700 L2722 I2726 | R2557-L2709 CarbonylContact C-O 3.57Å; R2557-L2709 WeakPolarHBondContact CA-O 3.38Å; I2558-L2709 HydrophobicContact CB-CB 4.37Å; I2558-L2709 HydrophobicContact CD1-CD2 3.98Å; I2558-L2709 PolarHBondContact N-O 3.28Å; I2558-L2709 PolarHBondContact O-N 3.12Å; I2579-L2709 HydrophobicContact CD1-CD1 4.21Å; V2698-L2709 HydrophobicContact CG1-CD1 3.69Å; L2699-L2709 CarbonylContact O-C 3.54Å; F2700-L2709 HydrophobicContact CB-CD1 4.09Å; F2700-L2709 HydrophobicContact CD2-CD1 4.39Å; L2709-L2722 HydrophobicContact CD1-CD2 4.39Å; L2709-L2722 HydrophobicContact CD2-CD1 4.45Å; L2709-L2722 HydrophobicContact CD2-CD2 3.43Å; L2709-L2722 VanDerWaalsContact CD2-CD2 3.43Å; L2709-L2722 HydrophobicContact CD2-CG 3.6Å; L2709-L2722 HydrophobicContact CG-CD2 4.36Å; L2709-I2726 HydrophobicContact CD1-CD1 4.3Å; L2709-I2726 HydrophobicContact CD2-CD1 3.57Å; L2709-I2726 HydrophobicContact CG-CD1 4.4Å |
| 2710 | Y | 95.6 | Very high | 91.4 | Very high | 0.5 Ų | 0.5 | 33.5 Ų | 33.5 | 0% | 0.002 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.2 | 173.9 | -51.7 | -92.9 | 0 | 0 | 0 | 109.3 | V2541 L2544 D2545 R2556 R2557 V2698 L2699 R2708 | V2541-Y2710 HydrophobicContact CG1-CE2 4.15Å; L2544-Y2710 HydrophobicContact CB-CD1 3.57Å; L2544-Y2710 HydrophobicContact CB-CE1 4.02Å; L2544-Y2710 HydrophobicContact CB-CG 3.95Å; L2544-Y2710 HydrophobicContact CD1-CD1 4.46Å; L2544-Y2710 HydrophobicContact CD1-CD2 4.47Å; L2544-Y2710 HydrophobicContact CD1-CG 3.99Å; D2545-Y2710 VanDerWaalsContact OD1-CE1 3.23Å; D2545-Y2710 WeakPolarHBondContact OD1-CE1 3.36Å; D2545-Y2710 VanDerWaalsContact OD1-CZ 3.29Å; D2545-Y2710 PolarHBondContact OD1-OH 3.28Å; D2545-Y2710 PolarHBondContact OD2-OH 2.97Å; D2545-Y2710 VanDerWaalsContact OD2-OH 3.11Å; R2556-Y2710 CarbonylContact O-C 3.53Å; R2556-Y2710 VanDerWaalsContact O-CA 3.3Å; R2556-Y2710 WeakPolarHBondContact O-CA 3.36Å; R2557-Y2710 HydrophobicContact CB-CD1 4.08Å; R2557-Y2710 HydrophobicContact CB-CE1 4.12Å; R2557-Y2710 HydrophobicContact CG-CD1 4.07Å; R2557-Y2710 HydrophobicContact CG-CE1 3.67Å; V2698-Y2710 CarbonylContact C-O 3.49Å; V2698-Y2710 WeakPolarHBondContact CA-O 3.43Å; L2699-Y2710 HydrophobicContact CB-CD2 4.28Å; L2699-Y2710 HydrophobicContact CD2-CD2 4.22Å; L2699-Y2710 HydrophobicContact CG-CD2 4.46Å; L2699-Y2710 PolarHBondContact N-O 3.18Å; L2699-Y2710 WeakPolarHBondContact O-CD2 3.31Å; L2699-Y2710 PolarHBondContact O-N 3.19Å; R2708-Y2710 HydrophobicContact CB-CE2 3.66Å; R2708-Y2710 WeakPolarHBondContact CD-OH 3.34Å |
| 2711 | A | 94.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | V2555 R2556 W2714 N2719 | V2555-A2711 WeakPolarHBondContact CA-O 3.43Å; R2556-A2711 HydrophobicContact CB-CB 4.49Å; R2556-A2711 PolarHBondContact N-O 3.1Å; R2556-A2711 PolarHBondContact O-N 3.07Å; A2711-W2714 HydrophobicContact CB-CB 4.34Å; A2711-W2714 HydrophobicContact CB-CG 4.24Å; A2711-N2719 WeakPolarHBondContact CB-OD1 3.35Å |
| 2712 | Y | 95 | Very high | 91 | Very high | 0.5 Ų | 0.5 | 36.5 Ų | 36.5 | 0% | 0.002 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.2 | 177.5 | 171.1 | -96 | 0 | 0 | 0 | 111 | F2426 D2427 T2430 E2431 L2435 S2554 V2555 R2694 Q2695 L2697 W2714 | F2426-Y2712 HydrophobicContact CE1-CD2 4.49Å; F2426-Y2712 HydrophobicContact CE1-CE2 4.35Å; D2427-Y2712 VanDerWaalsContact CG-OH 3.24Å; D2427-Y2712 VanDerWaalsContact OD1-CE2 3.28Å; D2427-Y2712 WeakPolarHBondContact OD1-CE2 3.33Å; D2427-Y2712 PolarHBondContact OD1-OH 2.77Å; T2430-Y2712 HydrophobicContact CG2-CD1 4.34Å; T2430-Y2712 HydrophobicContact CG2-CD2 4.13Å; T2430-Y2712 HydrophobicContact CG2-CE1 4.09Å; T2430-Y2712 HydrophobicContact CG2-CE2 3.8Å; T2430-Y2712 HydrophobicContact CG2-CG 4.35Å; E2431-Y2712 WeakPolarHBondContact CG-OH 3.26Å; E2431-Y2712 VanDerWaalsContact OE1-CE1 3.24Å; E2431-Y2712 WeakPolarHBondContact OE1-CE1 3.41Å; E2431-Y2712 PolarHBondContact OE1-OH 2.83Å; L2435-Y2712 HydrophobicContact CD1-CD1 4.22Å; L2435-Y2712 HydrophobicContact CD1-CE1 3.96Å; S2554-Y2712 VanDerWaalsContact CB-CE2 3.49Å; S2554-Y2712 CarbonylContact O-C 3.52Å; S2554-Y2712 VanDerWaalsContact O-CA 3.26Å; S2554-Y2712 WeakPolarHBondContact O-CA 3.24Å; S2554-Y2712 WeakPolarHBondContact O-CD2 3.42Å; V2555-Y2712 HydrophobicContact CG2-CD2 3.8Å; V2555-Y2712 HydrophobicContact CG2-CE2 4.41Å; R2694-Y2712 PolarHBondContact NH1-OH 3.1Å; R2694-Y2712 PolarHBondContact NH2-OH 3.48Å; Q2695-Y2712 WeakPolarHBondContact O-CE1 3.35Å; L2697-Y2712 HydrophobicContact CB-CD1 4.35Å; L2697-Y2712 PolarHBondContact N-O 3.27Å; L2697-Y2712 PolarHBondContact O-N 3.14Å; Y2712-W2714 VanDerWaalsContact C-N 3.31Å; Y2712-W2714 PolarHBondContact O-N 3.13Å |
| 2713 | N | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 60.4 | 30.5 | -179.8 | -163.6 | 36.1 | 0 | 0 | 0 | 115.1 | S2554 Q2674 K2675 Y2676 R2694 Q2695 | S2554-N2713 PolarHBondContact O-N 2.88Å; Q2674-N2713 WeakPolarHBondContact CA-O 3.39Å; K2675-N2713 PolarHBondContact N-O 2.99Å; Y2676-N2713 PolarHBondContact N-OD1 3.21Å; Y2676-N2713 PolarHBondContact O-ND2 3.17Å; Y2676-N2713 VanDerWaalsContact O-ND2 3.11Å; Y2676-N2713 PolarHBondContact O-OD1 3.07Å; R2694-N2713 WeakPolarHBondContact CG-ND2 3.24Å; R2694-N2713 PolarHBondContact NH2-OD1 3.37Å; Q2695-N2713 VanDerWaalsContact O-CB 3.25Å; Q2695-N2713 WeakPolarHBondContact O-CB 3.32Å; Q2695-N2713 PolarHBondContact O-ND2 3.08Å; Q2695-N2713 VanDerWaalsContact O-ND2 3.08Å |
| 2714 | W | 91.2 | Very high | 91.3 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -101.9 | 147 | 175 | -68.8 | 91.9 | 0 | 0 | 0 | 112.2 | V2583 I2587 K2673 R2696 L2697 V2698 A2711 Y2712 F2718 N2719 | V2583-W2714 HydrophobicContact CB-CH2 3.92Å; V2583-W2714 HydrophobicContact CB-CZ2 4.26Å; V2583-W2714 HydrophobicContact CG1-CH2 3.79Å; V2583-W2714 HydrophobicContact CG1-CZ2 3.77Å; I2587-W2714 HydrophobicContact CD1-CH2 3.58Å; I2587-W2714 HydrophobicContact CD1-CZ2 3.52Å; I2587-W2714 VanDerWaalsContact CD1-CZ2 3.47Å; K2673-W2714 HydrophobicContact CB-CE3 4.17Å; K2673-W2714 HydrophobicContact CB-CZ3 3.88Å; K2673-W2714 HydrophobicContact CD-CZ3 3.96Å; R2696-W2714 HydrophobicContact CB-CZ2 3.82Å; R2696-W2714 HydrophobicContact CG-CD2 4.4Å; R2696-W2714 HydrophobicContact CG-CZ2 4.31Å; L2697-W2714 PolarHBondContact O-NE1 3Å; V2698-W2714 HydrophobicContact CG2-CZ2 3.84Å; V2698-W2714 VanDerWaalsContact CG2-NE1 3.35Å; A2711-W2714 HydrophobicContact CB-CB 4.34Å; A2711-W2714 HydrophobicContact CB-CG 4.24Å; Y2712-W2714 VanDerWaalsContact C-N 3.31Å; Y2712-W2714 PolarHBondContact O-N 3.13Å; W2714-F2718 HydrophobicContact CB-CD1 3.71Å; W2714-F2718 HydrophobicContact CB-CE1 4.27Å; W2714-F2718 HydrophobicContact CB-CG 4.43Å; W2714-F2718 AromaticContact CD2-CD1 3.58Å; W2714-F2718 HydrophobicContact CD2-CD1 3.58Å; W2714-F2718 HydrophobicContact CD2-CD2 4.48Å; W2714-F2718 AromaticContact CD2-CE1 3.47Å; W2714-F2718 HydrophobicContact CD2-CE1 3.47Å; W2714-F2718 VanDerWaalsContact CD2-CE1 3.47Å; W2714-F2718 HydrophobicContact CD2-CE2 4.38Å; W2714-F2718 HydrophobicContact CD2-CG 4.11Å; W2714-F2718 AromaticContact CD2-CZ 3.91Å; W2714-F2718 HydrophobicContact CD2-CZ 3.91Å; W2714-F2718 AromaticContact CE2-CE1 3.89Å; W2714-F2718 HydrophobicContact CE3-CB 4.25Å; W2714-F2718 AromaticContact CE3-CD1 3.47Å; W2714-F2718 HydrophobicContact CE3-CD1 3.47Å; W2714-F2718 VanDerWaalsContact CE3-CD1 3.47Å; W2714-F2718 AromaticContact CE3-CD2 3.63Å; W2714-F2718 HydrophobicContact CE3-CD2 3.63Å; W2714-F2718 AromaticContact CE3-CE1 3.6Å; W2714-F2718 HydrophobicContact CE3-CE1 3.6Å; W2714-F2718 AromaticContact CE3-CE2 3.73Å; W2714-F2718 HydrophobicContact CE3-CE2 3.73Å; W2714-F2718 AromaticContact CE3-CG 3.5Å; W2714-F2718 HydrophobicContact CE3-CG 3.5Å; W2714-F2718 VanDerWaalsContact CE3-CG 3.49Å; W2714-F2718 AromaticContact CE3-CZ 3.73Å; W2714-F2718 HydrophobicContact CE3-CZ 3.73Å; W2714-F2718 AromaticContact CG-CD1 3.71Å; W2714-F2718 HydrophobicContact CG-CD1 3.71Å; W2714-F2718 AromaticContact CG-CE1 3.79Å; W2714-F2718 HydrophobicContact CG-CE1 3.79Å; W2714-F2718 HydrophobicContact CH2-CE1 4.47Å; W2714-F2718 AromaticContact CH2-CE2 3.95Å; W2714-F2718 HydrophobicContact CH2-CE2 3.95Å; W2714-F2718 AromaticContact CH2-CZ 3.91Å; W2714-F2718 HydrophobicContact CH2-CZ 3.91Å; W2714-F2718 HydrophobicContact CZ2-CE1 4.38Å; W2714-F2718 HydrophobicContact CZ2-CZ 4.08Å; W2714-F2718 HydrophobicContact CZ3-CD1 4.25Å; W2714-F2718 AromaticContact CZ3-CD2 3.67Å; W2714-F2718 HydrophobicContact CZ3-CD2 3.67Å; W2714-F2718 HydrophobicContact CZ3-CE1 4.1Å; W2714-F2718 AromaticContact CZ3-CE2 3.48Å; W2714-F2718 HydrophobicContact CZ3-CE2 3.48Å; W2714-F2718 VanDerWaalsContact CZ3-CE2 3.48Å; W2714-F2718 HydrophobicContact CZ3-CG 4.06Å; W2714-F2718 AromaticContact CZ3-CZ 3.73Å; W2714-F2718 HydrophobicContact CZ3-CZ 3.73Å; W2714-N2719 PolarHBondContact O-ND2 3.19Å |
| 2715 | V | 90.8 | Very high | 91.5 | Very high | 36.75 Ų | 36.75 | 47.2 Ų | 47.2 | 22% | 0.223 | 23% | 0.231 | C | C | . | . | trans | -64.4 | 156.1 | 172.9 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | K2673 Q2674 D2717 F2718 N2719 | K2673-V2715 PolarHBondContact O-N 2.91Å; K2673-V2715 VanDerWaalsContact O-N 3.15Å; Q2674-V2715 VanDerWaalsContact O-CG1 3.29Å; Q2674-V2715 WeakPolarHBondContact O-CG1 3.28Å; V2715-D2717 VanDerWaalsContact C-N 3.35Å; V2715-D2717 PolarHBondContact O-N 3.23Å; V2715-F2718 HydrophobicContact CG2-CB 3.86Å; V2715-F2718 PolarHBondContact O-N 3.27Å; V2715-N2719 PolarHBondContact O-N 2.88Å; V2715-N2719 PolarHBondContact O-ND2 2.82Å; V2715-N2719 VanDerWaalsContact O-ND2 3.1Å | ||
| 2716 | S | 88.2 | Confident | 91.7 | Very high | 70.75 Ų | 70.75 | 41.3 Ų | 41.3 | 50% | 0.495 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.1 | -46.9 | -179.5 | 44.5 | 0 | 0 | 0 | 0 | 112.7 | F2718 N2719 E2720 | S2716-F2718 VanDerWaalsContact C-N 3.27Å; S2716-F2718 PolarHBondContact O-N 2.99Å; S2716-N2719 WeakPolarHBondContact O-CA 3.33Å; S2716-N2719 WeakPolarHBondContact O-CB 3.24Å; S2716-N2719 PolarHBondContact O-N 3.07Å; S2716-E2720 PolarHBondContact O-N 3.01Å |
| 2717 | D | 88.5 | Confident | 91.7 | Very high | 107 Ų | 107 | 44.3 Ų | 44.3 | 57% | 0.572 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64 | -35.5 | -172.8 | -57 | 3.7 | 0 | 0 | 0 | 111.9 | V2715 T2721 | V2715-D2717 VanDerWaalsContact C-N 3.35Å; V2715-D2717 PolarHBondContact O-N 3.23Å; D2717-T2721 WeakPolarHBondContact O-CB 3.34Å; D2717-T2721 PolarHBondContact O-N 3.32Å; D2717-T2721 VanDerWaalsContact O-N 3.08Å; D2717-T2721 PolarHBondContact O-OG1 3.37Å |
| 2718 | F | 89.1 | Confident | 91.3 | Very high | 15.5 Ų | 15.5 | 46.5 Ų | 46.5 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -47 | 172.4 | 173.7 | -90.2 | 0 | 0 | 0 | 110.7 | M2582 V2583 V2698 W2714 V2715 S2716 E2720 T2721 L2722 | M2582-F2718 HydrophobicContact CB-CE2 3.8Å; M2582-F2718 HydrophobicContact CB-CZ 4.33Å; M2582-F2718 HydrophobicContact CE-CD2 3.84Å; M2582-F2718 HydrophobicContact CE-CE2 3.92Å; M2582-F2718 HydrophobicContact CE-CG 4.44Å; M2582-F2718 WeakPolarHBondContact CE-O 3.44Å; V2583-F2718 HydrophobicContact CG1-CE2 4.35Å; V2583-F2718 HydrophobicContact CG1-CZ 3.89Å; V2698-F2718 HydrophobicContact CG2-CE1 4.42Å; V2698-F2718 HydrophobicContact CG2-CZ 4.42Å; W2714-F2718 HydrophobicContact CB-CD1 3.71Å; W2714-F2718 HydrophobicContact CB-CE1 4.27Å; W2714-F2718 HydrophobicContact CB-CG 4.43Å; W2714-F2718 AromaticContact CD2-CD1 3.58Å; W2714-F2718 HydrophobicContact CD2-CD1 3.58Å; W2714-F2718 HydrophobicContact CD2-CD2 4.48Å; W2714-F2718 AromaticContact CD2-CE1 3.47Å; W2714-F2718 HydrophobicContact CD2-CE1 3.47Å; W2714-F2718 VanDerWaalsContact CD2-CE1 3.47Å; W2714-F2718 HydrophobicContact CD2-CE2 4.38Å; W2714-F2718 HydrophobicContact CD2-CG 4.11Å; W2714-F2718 AromaticContact CD2-CZ 3.91Å; W2714-F2718 HydrophobicContact CD2-CZ 3.91Å; W2714-F2718 AromaticContact CE2-CE1 3.89Å; W2714-F2718 HydrophobicContact CE3-CB 4.25Å; W2714-F2718 AromaticContact CE3-CD1 3.47Å; W2714-F2718 HydrophobicContact CE3-CD1 3.47Å; W2714-F2718 VanDerWaalsContact CE3-CD1 3.47Å; W2714-F2718 AromaticContact CE3-CD2 3.63Å; W2714-F2718 HydrophobicContact CE3-CD2 3.63Å; W2714-F2718 AromaticContact CE3-CE1 3.6Å; W2714-F2718 HydrophobicContact CE3-CE1 3.6Å; W2714-F2718 AromaticContact CE3-CE2 3.73Å; W2714-F2718 HydrophobicContact CE3-CE2 3.73Å; W2714-F2718 AromaticContact CE3-CG 3.5Å; W2714-F2718 HydrophobicContact CE3-CG 3.5Å; W2714-F2718 VanDerWaalsContact CE3-CG 3.49Å; W2714-F2718 AromaticContact CE3-CZ 3.73Å; W2714-F2718 HydrophobicContact CE3-CZ 3.73Å; W2714-F2718 AromaticContact CG-CD1 3.71Å; W2714-F2718 HydrophobicContact CG-CD1 3.71Å; W2714-F2718 AromaticContact CG-CE1 3.79Å; W2714-F2718 HydrophobicContact CG-CE1 3.79Å; W2714-F2718 HydrophobicContact CH2-CE1 4.47Å; W2714-F2718 AromaticContact CH2-CE2 3.95Å; W2714-F2718 HydrophobicContact CH2-CE2 3.95Å; W2714-F2718 AromaticContact CH2-CZ 3.91Å; W2714-F2718 HydrophobicContact CH2-CZ 3.91Å; W2714-F2718 HydrophobicContact CZ2-CE1 4.38Å; W2714-F2718 HydrophobicContact CZ2-CZ 4.08Å; W2714-F2718 HydrophobicContact CZ3-CD1 4.25Å; W2714-F2718 AromaticContact CZ3-CD2 3.67Å; W2714-F2718 HydrophobicContact CZ3-CD2 3.67Å; W2714-F2718 HydrophobicContact CZ3-CE1 4.1Å; W2714-F2718 AromaticContact CZ3-CE2 3.48Å; W2714-F2718 HydrophobicContact CZ3-CE2 3.48Å; W2714-F2718 VanDerWaalsContact CZ3-CE2 3.48Å; W2714-F2718 HydrophobicContact CZ3-CG 4.06Å; W2714-F2718 AromaticContact CZ3-CZ 3.73Å; W2714-F2718 HydrophobicContact CZ3-CZ 3.73Å; V2715-F2718 HydrophobicContact CG2-CB 3.86Å; V2715-F2718 PolarHBondContact O-N 3.27Å; S2716-F2718 VanDerWaalsContact C-N 3.27Å; S2716-F2718 PolarHBondContact O-N 2.99Å; F2718-E2720 PolarHBondContact O-N 3.37Å; F2718-T2721 PolarHBondContact O-N 3.18Å; F2718-L2722 HydrophobicContact CE1-CD2 3.72Å; F2718-L2722 HydrophobicContact CZ-CD2 4.02Å; F2718-L2722 VanDerWaalsContact O-CB 3.26Å; F2718-L2722 WeakPolarHBondContact O-CB 3.25Å; F2718-L2722 PolarHBondContact O-N 3.21Å |
| 2719 | N | 90.3 | Very high | 90.9 | Very high | 13.5 Ų | 13.5 | 43.7 Ų | 43.7 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -43.2 | -179 | -65.8 | -42.3 | 0 | 0 | 0 | 111.9 | R2556 A2711 W2714 V2715 S2716 L2722 E2723 | R2556-N2719 HydrophobicContact CG-CB 4.06Å; A2711-N2719 WeakPolarHBondContact CB-OD1 3.35Å; W2714-N2719 PolarHBondContact O-ND2 3.19Å; V2715-N2719 PolarHBondContact O-N 2.88Å; V2715-N2719 PolarHBondContact O-ND2 2.82Å; V2715-N2719 VanDerWaalsContact O-ND2 3.1Å; S2716-N2719 WeakPolarHBondContact O-CA 3.33Å; S2716-N2719 WeakPolarHBondContact O-CB 3.24Å; S2716-N2719 PolarHBondContact O-N 3.07Å; N2719-L2722 PolarHBondContact O-N 3.01Å; N2719-E2723 VanDerWaalsContact O-CB 3.26Å; N2719-E2723 WeakPolarHBondContact O-CB 3.29Å; N2719-E2723 PolarHBondContact O-N 3.19Å |
| 2720 | E | 91.7 | Very high | 90.6 | Very high | 127.5 Ų | 127.5 | 44.1 Ų | 44.1 | 60% | 0.596 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.3 | -42.6 | 178.8 | -69.6 | 178.3 | -171.2 | 0 | 0 | 112.2 | S2716 F2718 E2723 K2724 | S2716-E2720 PolarHBondContact O-N 3.01Å; F2718-E2720 PolarHBondContact O-N 3.37Å; E2720-E2723 PolarHBondContact O-N 3.12Å; E2720-K2724 WeakPolarHBondContact O-CB 3.33Å; E2720-K2724 PolarHBondContact O-N 3.18Å |
| 2721 | T | 90.8 | Very high | 90 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.8 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | M2582 D2717 F2718 K2724 M2725 | M2582-T2721 HydrophobicContact CE-CG2 3.71Å; D2717-T2721 WeakPolarHBondContact O-CB 3.34Å; D2717-T2721 PolarHBondContact O-N 3.32Å; D2717-T2721 VanDerWaalsContact O-N 3.08Å; D2717-T2721 PolarHBondContact O-OG1 3.37Å; F2718-T2721 PolarHBondContact O-N 3.18Å; T2721-K2724 PolarHBondContact O-N 3.14Å; T2721-M2725 HydrophobicContact CG2-CE 4.26Å; T2721-M2725 PolarHBondContact O-N 3.14Å; T2721-M2725 VanDerWaalsContact O-N 3.12Å |
| 2722 | L | 90.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | 177.4 | -177.2 | 60.3 | 0 | 0 | 0 | 111.3 | I2578 I2579 M2582 V2698 L2709 F2718 N2719 K2724 M2725 I2726 | I2578-L2722 HydrophobicContact CG2-CD1 4.29Å; I2579-L2722 HydrophobicContact CG1-CD1 4.07Å; M2582-L2722 HydrophobicContact CE-CB 3.84Å; M2582-L2722 HydrophobicContact CG-CD1 4.46Å; M2582-L2722 WeakPolarHBondContact SD-CA 3.39Å; M2582-L2722 HydrophobicContact SD-CB 3.51Å; M2582-L2722 VanDerWaalsContact SD-CB 3.52Å; M2582-L2722 WeakPolarHBondContact SD-CB 3.39Å; M2582-L2722 HydrophobicContact SD-CD1 3.37Å; M2582-L2722 WeakPolarHBondContact SD-CD1 3.37Å; M2582-L2722 HydrophobicContact SD-CG 3.99Å; V2698-L2722 HydrophobicContact CG1-CD2 4.5Å; L2709-L2722 HydrophobicContact CD1-CD2 4.39Å; L2709-L2722 HydrophobicContact CD2-CD1 4.45Å; L2709-L2722 HydrophobicContact CD2-CD2 3.43Å; L2709-L2722 VanDerWaalsContact CD2-CD2 3.43Å; L2709-L2722 HydrophobicContact CD2-CG 3.6Å; L2709-L2722 HydrophobicContact CG-CD2 4.36Å; F2718-L2722 HydrophobicContact CE1-CD2 3.72Å; F2718-L2722 HydrophobicContact CZ-CD2 4.02Å; F2718-L2722 VanDerWaalsContact O-CB 3.26Å; F2718-L2722 WeakPolarHBondContact O-CB 3.25Å; F2718-L2722 PolarHBondContact O-N 3.21Å; N2719-L2722 PolarHBondContact O-N 3.01Å; L2722-K2724 VanDerWaalsContact C-N 3.34Å; L2722-K2724 PolarHBondContact O-N 3Å; L2722-M2725 PolarHBondContact O-N 3.09Å; L2722-I2726 HydrophobicContact CD1-CD1 3.86Å; L2722-I2726 HydrophobicContact CD1-CG1 4.2Å; L2722-I2726 HydrophobicContact CG-CD1 4.12Å; L2722-I2726 WeakPolarHBondContact O-CG1 3.32Å; L2722-I2726 PolarHBondContact O-N 2.96Å |
| 2723 | E | 92.8 | Very high | 88.7 | Confident | 57.75 Ų | 57.75 | 49 Ų | 49 | 27% | 0.27 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.6 | -49.1 | 174.2 | -176.9 | 166.7 | 168.9 | 0 | 0 | 110.9 | R2556 I2558 F2560 N2719 E2720 M2725 I2726 K2727 | R2556-E2723 IonicContact CZ-OE2 3.36Å; R2556-E2723 IonicContact NH2-OE2 3.41Å; R2556-E2723 PolarHBondContact NH2-OE2 3.07Å; R2556-E2723 VanDerWaalsContact NH2-OE2 3.13Å; I2558-E2723 HydrophobicContact CD1-CB 3.83Å; I2558-E2723 HydrophobicContact CD1-CG 4.26Å; I2558-E2723 HydrophobicContact CG2-CB 4.48Å; I2558-E2723 HydrophobicContact CG2-CG 3.85Å; F2560-E2723 HydrophobicContact CZ-CG 4.21Å; N2719-E2723 VanDerWaalsContact O-CB 3.26Å; N2719-E2723 WeakPolarHBondContact O-CB 3.29Å; N2719-E2723 PolarHBondContact O-N 3.19Å; E2720-E2723 PolarHBondContact O-N 3.12Å; E2723-M2725 PolarHBondContact O-N 3.08Å; E2723-I2726 PolarHBondContact O-N 3.41Å; E2723-K2727 WeakPolarHBondContact O-CB 3.39Å; E2723-K2727 PolarHBondContact O-N 3.03Å |
| 2724 | K | 90.1 | Very high | 88.4 | Confident | 161.25 Ų | 161.25 | 50.1 Ų | 50.1 | 70% | 0.701 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.6 | -44.4 | 179.5 | -174.7 | 178.6 | 178.9 | -179.9 | 0 | 112.6 | E2720 T2721 L2722 A2728 | E2720-K2724 WeakPolarHBondContact O-CB 3.33Å; E2720-K2724 PolarHBondContact O-N 3.18Å; T2721-K2724 PolarHBondContact O-N 3.14Å; L2722-K2724 VanDerWaalsContact C-N 3.34Å; L2722-K2724 PolarHBondContact O-N 3Å; K2724-A2728 WeakPolarHBondContact O-CB 3.25Å; K2724-A2728 PolarHBondContact O-N 3.21Å; K2724-A2728 VanDerWaalsContact O-N 3.11Å |
| 2725 | M | 90.2 | Very high | 87.8 | Confident | 65.25 Ų | 65.25 | 49.9 Ų | 49.9 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.5 | -43.9 | -178.6 | -72.1 | -161.2 | -69.5 | 0 | 0 | 112.7 | I2578 M2582 T2721 L2722 E2723 K2727 A2728 S2729 | I2578-M2725 HydrophobicContact CG2-CB 3.88Å; I2578-M2725 HydrophobicContact CG2-CE 4Å; I2578-M2725 HydrophobicContact CG2-SD 4.44Å; M2582-M2725 HydrophobicContact CE-CE 4.07Å; M2582-M2725 HydrophobicContact CG-CE 3.24Å; M2582-M2725 HydrophobicContact SD-CE 3.03Å; M2582-M2725 WeakPolarHBondContact SD-CE 3.33Å; T2721-M2725 HydrophobicContact CG2-CE 4.26Å; T2721-M2725 PolarHBondContact O-N 3.14Å; T2721-M2725 VanDerWaalsContact O-N 3.12Å; L2722-M2725 PolarHBondContact O-N 3.09Å; E2723-M2725 PolarHBondContact O-N 3.08Å; M2725-K2727 VanDerWaalsContact C-N 3.35Å; M2725-K2727 PolarHBondContact O-N 3.35Å; M2725-A2728 PolarHBondContact O-N 3.24Å; M2725-S2729 PolarHBondContact O-N 3.03Å; M2725-S2729 VanDerWaalsContact O-N 3.12Å; M2725-S2729 PolarHBondContact O-OG 3.2Å |
| 2726 | I | 91.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -39.9 | 176.4 | -65.9 | 179.9 | 0 | 0 | 0 | 110.5 | F2560 I2578 I2579 L2707 L2709 L2722 E2723 A2728 S2729 V2730 | F2560-I2726 HydrophobicContact CD2-CG2 3.94Å; F2560-I2726 HydrophobicContact CE1-CG2 4.38Å; F2560-I2726 HydrophobicContact CE2-CB 4.12Å; F2560-I2726 HydrophobicContact CE2-CG2 3.51Å; F2560-I2726 HydrophobicContact CG-CG2 4.5Å; F2560-I2726 HydrophobicContact CZ-CB 4.08Å; F2560-I2726 HydrophobicContact CZ-CG2 3.86Å; I2578-I2726 HydrophobicContact CG2-CG1 4.45Å; I2579-I2726 HydrophobicContact CG1-CD1 4.41Å; L2707-I2726 HydrophobicContact CD2-CG2 4.25Å; L2709-I2726 HydrophobicContact CD1-CD1 4.3Å; L2709-I2726 HydrophobicContact CD2-CD1 3.57Å; L2709-I2726 HydrophobicContact CG-CD1 4.4Å; L2722-I2726 HydrophobicContact CD1-CD1 3.86Å; L2722-I2726 HydrophobicContact CD1-CG1 4.2Å; L2722-I2726 HydrophobicContact CG-CD1 4.12Å; L2722-I2726 WeakPolarHBondContact O-CG1 3.32Å; L2722-I2726 PolarHBondContact O-N 2.96Å; E2723-I2726 PolarHBondContact O-N 3.41Å; I2726-A2728 VanDerWaalsContact C-N 3.29Å; I2726-A2728 PolarHBondContact O-N 3.06Å; I2726-S2729 WeakPolarHBondContact O-CB 3.24Å; I2726-S2729 PolarHBondContact O-N 3.2Å; I2726-S2729 VanDerWaalsContact O-N 3.1Å; I2726-V2730 HydrophobicContact CG2-CG2 4.13Å; I2726-V2730 WeakPolarHBondContact O-CG2 3.38Å; I2726-V2730 PolarHBondContact O-N 3.09Å |
| 2727 | K | 88.9 | Confident | 87.1 | Confident | 131.5 Ų | 131.5 | 45.4 Ų | 45.4 | 57% | 0.572 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -56.3 | -44.3 | 174.7 | -168.2 | 173.6 | -179.7 | 176.2 | 0 | 111.6 | F2560 E2723 M2725 S2729 V2730 H2731 | F2560-K2727 HydrophobicContact CD1-CB 4.45Å; F2560-K2727 HydrophobicContact CE1-CB 3.69Å; F2560-K2727 HydrophobicContact CE1-CG 4.11Å; F2560-K2727 HydrophobicContact CZ-CB 4.39Å; E2723-K2727 WeakPolarHBondContact O-CB 3.39Å; E2723-K2727 PolarHBondContact O-N 3.03Å; M2725-K2727 VanDerWaalsContact C-N 3.35Å; M2725-K2727 PolarHBondContact O-N 3.35Å; K2727-S2729 VanDerWaalsContact C-N 3.32Å; K2727-S2729 PolarHBondContact O-N 3.08Å; K2727-V2730 PolarHBondContact O-N 3.22Å; K2727-H2731 VanDerWaalsContact O-CB 3.3Å; K2727-H2731 WeakPolarHBondContact O-CB 3.28Å; K2727-H2731 PolarHBondContact O-N 3.11Å |
| 2728 | A | 85.8 | Confident | 86.7 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 37% | 0.372 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K2724 M2725 I2726 R2732 | K2724-A2728 WeakPolarHBondContact O-CB 3.25Å; K2724-A2728 PolarHBondContact O-N 3.21Å; K2724-A2728 VanDerWaalsContact O-N 3.11Å; M2725-A2728 PolarHBondContact O-N 3.24Å; I2726-A2728 VanDerWaalsContact C-N 3.29Å; I2726-A2728 PolarHBondContact O-N 3.06Å; A2728-R2732 WeakPolarHBondContact O-CB 3.27Å; A2728-R2732 PolarHBondContact O-N 3.08Å; A2728-R2732 PolarHBondContact O-NH2 2.81Å |
| 2729 | S | 85.7 | Confident | 86.2 | Confident | 4.25 Ų | 4.25 | 40.5 Ų | 40.5 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.3 | -43.8 | 176 | -78.2 | 0 | 0 | 0 | 0 | 112.1 | L2571 E2574 I2578 M2725 I2726 K2727 H2731 R2732 Y2733 | L2571-S2729 WeakPolarHBondContact CD1-OG 3.37Å; E2574-S2729 VanDerWaalsContact CD-OG 3.28Å; E2574-S2729 VanDerWaalsContact OE1-CB 3.32Å; E2574-S2729 WeakPolarHBondContact OE1-CB 3.34Å; E2574-S2729 PolarHBondContact OE1-OG 3.1Å; E2574-S2729 PolarHBondContact OE2-OG 3.19Å; I2578-S2729 VanDerWaalsContact CD1-OG 3.24Å; I2578-S2729 WeakPolarHBondContact CD1-OG 3.39Å; M2725-S2729 PolarHBondContact O-N 3.03Å; M2725-S2729 VanDerWaalsContact O-N 3.12Å; M2725-S2729 PolarHBondContact O-OG 3.2Å; I2726-S2729 WeakPolarHBondContact O-CB 3.24Å; I2726-S2729 PolarHBondContact O-N 3.2Å; I2726-S2729 VanDerWaalsContact O-N 3.1Å; K2727-S2729 VanDerWaalsContact C-N 3.32Å; K2727-S2729 PolarHBondContact O-N 3.08Å; S2729-H2731 PolarHBondContact O-N 2.66Å; S2729-R2732 WeakPolarHBondContact O-CB 3.39Å; S2729-R2732 PolarHBondContact O-N 3.21Å; S2729-R2732 PolarHBondContact OG-NH2 3.42Å; S2729-Y2733 WeakPolarHBondContact O-CB 3.24Å; S2729-Y2733 PolarHBondContact O-N 3.14Å |
| 2730 | V | 87.7 | Confident | 85.9 | Confident | 7.75 Ų | 7.75 | 40.4 Ų | 40.4 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | F2560 L2562 L2707 I2726 K2727 R2732 Y2733 N2734 | F2560-V2730 HydrophobicContact CB-CG1 4.25Å; F2560-V2730 HydrophobicContact CB-CG2 4.09Å; F2560-V2730 HydrophobicContact CD1-CG2 4.48Å; F2560-V2730 HydrophobicContact CG-CG2 4.26Å; L2562-V2730 HydrophobicContact CD2-CG1 3.93Å; L2562-V2730 HydrophobicContact CD2-CG2 4.4Å; L2707-V2730 HydrophobicContact CD1-CG2 4.03Å; I2726-V2730 HydrophobicContact CG2-CG2 4.13Å; I2726-V2730 WeakPolarHBondContact O-CG2 3.38Å; I2726-V2730 PolarHBondContact O-N 3.09Å; K2727-V2730 PolarHBondContact O-N 3.22Å; V2730-R2732 VanDerWaalsContact C-N 3.34Å; V2730-R2732 PolarHBondContact O-N 3.08Å; V2730-Y2733 WeakPolarHBondContact O-CB 3.39Å; V2730-Y2733 PolarHBondContact O-N 3.28Å; V2730-N2734 WeakPolarHBondContact O-CB 3.17Å; V2730-N2734 PolarHBondContact O-N 3.24Å |
| 2731 | H | 83 | Confident | 85.3 | Confident | 67 Ų | 67 | 38.4 Ų | 38.4 | 31% | 0.31 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 176 | 177.3 | -80.5 | 0 | 0 | 0 | 111.5 | K2727 S2729 N2734 S2735 E2761 | K2727-H2731 VanDerWaalsContact O-CB 3.3Å; K2727-H2731 WeakPolarHBondContact O-CB 3.28Å; K2727-H2731 PolarHBondContact O-N 3.11Å; S2729-H2731 PolarHBondContact O-N 2.66Å; H2731-N2734 PolarHBondContact O-N 3.06Å; H2731-S2735 PolarHBondContact CE1-OG 2.88Å; H2731-S2735 PolarHBondContact ND1-OG 2.84Å; H2731-S2735 WeakPolarHBondContact O-CB 3.38Å; H2731-S2735 PolarHBondContact O-N 3.16Å; H2731-S2735 PolarHBondContact O-OG 2.98Å; H2731-E2761 IonicContact CD2-OE2 3.41Å; H2731-E2761 PolarHBondContact CD2-OE2 3.43Å; H2731-E2761 IonicContact NE2-OE2 3.15Å; H2731-E2761 PolarHBondContact NE2-OE2 2.84Å |
| 2732 | R | 79.8 | Confident | 84.7 | Confident | 29 Ų | 29 | 36.5 Ų | 36.5 | 11% | 0.109 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 175.4 | -173.2 | -172.9 | -61.4 | 105.1 | 11.3 | 111.7 | E2574 A2728 S2729 V2730 N2734 S2735 R2736 L2773 Y2774 S2776 R2779 | E2574-R2732 VanDerWaalsContact CD-NH1 3.31Å; E2574-R2732 IonicContact OE1-CZ 3.43Å; E2574-R2732 IonicContact OE1-NH1 2.67Å; E2574-R2732 PolarHBondContact OE1-NH1 3.14Å; E2574-R2732 IonicContact OE1-NH2 2.87Å; E2574-R2732 IonicContact OE2-NH1 3.19Å; E2574-R2732 PolarHBondContact OE2-NH1 3.32Å; A2728-R2732 WeakPolarHBondContact O-CB 3.27Å; A2728-R2732 PolarHBondContact O-N 3.08Å; A2728-R2732 PolarHBondContact O-NH2 2.81Å; S2729-R2732 WeakPolarHBondContact O-CB 3.39Å; S2729-R2732 PolarHBondContact O-N 3.21Å; S2729-R2732 PolarHBondContact OG-NH2 3.42Å; V2730-R2732 VanDerWaalsContact C-N 3.34Å; V2730-R2732 PolarHBondContact O-N 3.08Å; R2732-N2734 PolarHBondContact O-N 3.37Å; R2732-S2735 WeakPolarHBondContact O-CB 3.43Å; R2732-S2735 PolarHBondContact O-N 3.13Å; R2732-R2736 WeakPolarHBondContact O-CB 3.44Å; R2732-R2736 PolarHBondContact O-N 3.04Å; R2732-L2773 PolarHBondContact NH1-O 2.89Å; R2732-L2773 PolarHBondContact NH2-O 2.77Å; R2732-Y2774 HydrophobicContact CG-CD1 4.22Å; R2732-Y2774 HydrophobicContact CG-CE1 4.33Å; R2732-S2776 PolarHBondContact NH2-O 3.48Å; R2732-R2779 VanDerWaalsContact NH2-CD 3.27Å |
| 2733 | Y | 84.1 | Confident | 84.2 | Confident | 9.5 Ų | 9.5 | 36.5 Ų | 36.5 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.4 | -49.6 | 176 | 172.5 | -90.2 | 0 | 0 | 0 | 111.4 | L2562 S2564 L2566 L2571 S2729 V2730 S2735 R2736 I2737 | L2562-Y2733 HydrophobicContact CB-CE1 4.11Å; L2562-Y2733 HydrophobicContact CD1-CE1 4.24Å; L2562-Y2733 HydrophobicContact CD2-CD1 3.91Å; L2562-Y2733 HydrophobicContact CD2-CE1 4.08Å; L2562-Y2733 HydrophobicContact CG-CE1 4.37Å; S2564-Y2733 PolarHBondContact O-OH 2.98Å; L2566-Y2733 VanDerWaalsContact O-CE2 3.3Å; L2566-Y2733 WeakPolarHBondContact O-CE2 3.34Å; L2566-Y2733 PolarHBondContact O-OH 2.94Å; L2571-Y2733 HydrophobicContact CB-CD2 4.02Å; L2571-Y2733 HydrophobicContact CB-CE2 4.41Å; L2571-Y2733 HydrophobicContact CB-CG 4.46Å; L2571-Y2733 HydrophobicContact CD2-CD1 4.19Å; L2571-Y2733 HydrophobicContact CD2-CD2 4.14Å; L2571-Y2733 HydrophobicContact CD2-CG 3.94Å; S2729-Y2733 WeakPolarHBondContact O-CB 3.24Å; S2729-Y2733 PolarHBondContact O-N 3.14Å; V2730-Y2733 WeakPolarHBondContact O-CB 3.39Å; V2730-Y2733 PolarHBondContact O-N 3.28Å; Y2733-S2735 VanDerWaalsContact C-N 3.35Å; Y2733-S2735 PolarHBondContact O-N 3.32Å; Y2733-R2736 WeakPolarHBondContact O-CB 3.33Å; Y2733-R2736 PolarHBondContact O-N 3.1Å; Y2733-R2736 VanDerWaalsContact O-N 3.14Å; Y2733-I2737 HydrophobicContact CD1-CG1 4.35Å; Y2733-I2737 HydrophobicContact CE1-CG1 3.9Å; Y2733-I2737 HydrophobicContact CE2-CD1 4.37Å; Y2733-I2737 HydrophobicContact CE2-CG1 4.28Å; Y2733-I2737 WeakPolarHBondContact O-CG1 3.4Å; Y2733-I2737 PolarHBondContact O-N 3.09Å |
| 2734 | N | 85 | Confident | 83.6 | Confident | 24.25 Ų | 24.25 | 35.8 Ų | 35.8 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 178 | -72.7 | -19.3 | 0 | 0 | 0 | 111.7 | T2561 Q2563 V2730 H2731 R2732 R2736 I2737 H2738 | T2561-N2734 PolarHBondContact O-ND2 3.24Å; T2561-N2734 VanDerWaalsContact O-ND2 3.12Å; Q2563-N2734 HydrophobicContact CG-CB 4.23Å; Q2563-N2734 PolarHBondContact N-OD1 3.18Å; Q2563-N2734 PolarHBondContact OE1-O 3.28Å; V2730-N2734 WeakPolarHBondContact O-CB 3.17Å; V2730-N2734 PolarHBondContact O-N 3.24Å; H2731-N2734 PolarHBondContact O-N 3.06Å; R2732-N2734 PolarHBondContact O-N 3.37Å; N2734-R2736 VanDerWaalsContact C-N 3.29Å; N2734-R2736 PolarHBondContact O-N 3.21Å; N2734-I2737 PolarHBondContact O-N 3.15Å; N2734-H2738 WeakPolarHBondContact O-CB 3.4Å; N2734-H2738 PolarHBondContact O-N 2.89Å |
| 2735 | S | 79.7 | Confident | 83 | Confident | 1.75 Ų | 1.75 | 29.7 Ų | 29.7 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58 | -41.3 | 174.2 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | H2731 R2732 Y2733 H2738 L2739 L2764 I2767 Y2774 | H2731-S2735 PolarHBondContact CE1-OG 2.88Å; H2731-S2735 PolarHBondContact ND1-OG 2.84Å; H2731-S2735 WeakPolarHBondContact O-CB 3.38Å; H2731-S2735 PolarHBondContact O-N 3.16Å; H2731-S2735 PolarHBondContact O-OG 2.98Å; R2732-S2735 WeakPolarHBondContact O-CB 3.43Å; R2732-S2735 PolarHBondContact O-N 3.13Å; Y2733-S2735 VanDerWaalsContact C-N 3.35Å; Y2733-S2735 PolarHBondContact O-N 3.32Å; S2735-H2738 WeakPolarHBondContact O-CB 3.05Å; S2735-H2738 PolarHBondContact O-N 3.24Å; S2735-L2739 PolarHBondContact O-N 3.17Å; S2735-L2764 VanDerWaalsContact OG-CD2 3.31Å; S2735-L2764 WeakPolarHBondContact OG-CD2 3.34Å; S2735-I2767 VanDerWaalsContact CB-CD1 3.48Å; S2735-Y2774 VanDerWaalsContact CB-CE1 3.43Å |
| 2736 | R | 82.3 | Confident | 82.4 | Confident | 11 Ų | 11 | 27.3 Ų | 27.3 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -40.9 | 178.1 | -174.7 | 179.5 | 165 | -141.9 | 7.6 | 112.3 | S2567 R2732 Y2733 N2734 H2738 L2739 L2740 Y2774 V2775 A2777 D2821 A2823 Q2824 I2827 | S2567-R2736 PolarHBondContact OG-NH1 2.84Å; S2567-R2736 PolarHBondContact OG-NH2 2.95Å; R2732-R2736 WeakPolarHBondContact O-CB 3.44Å; R2732-R2736 PolarHBondContact O-N 3.04Å; Y2733-R2736 WeakPolarHBondContact O-CB 3.33Å; Y2733-R2736 PolarHBondContact O-N 3.1Å; Y2733-R2736 VanDerWaalsContact O-N 3.14Å; N2734-R2736 VanDerWaalsContact C-N 3.29Å; N2734-R2736 PolarHBondContact O-N 3.21Å; R2736-H2738 VanDerWaalsContact C-N 3.33Å; R2736-L2739 PolarHBondContact O-N 2.99Å; R2736-L2740 PolarHBondContact O-N 3Å; R2736-Y2774 HydrophobicContact CB-CD1 4.41Å; R2736-Y2774 VanDerWaalsContact CD-O 3.22Å; R2736-Y2774 WeakPolarHBondContact CD-O 3.28Å; R2736-Y2774 WeakPolarHBondContact CG-O 3.35Å; R2736-Y2774 PolarHBondContact NE-O 2.94Å; R2736-Y2774 VanDerWaalsContact NE-O 3.08Å; R2736-V2775 PolarHBondContact NE-O 3.15Å; R2736-V2775 PolarHBondContact NH2-O 3.19Å; R2736-V2775 VanDerWaalsContact NH2-O 3.16Å; R2736-A2777 VanDerWaalsContact NH1-CB 3.3Å; R2736-D2821 IonicContact CZ-OD1 2.74Å; R2736-D2821 IonicContact CZ-OD2 3.1Å; R2736-D2821 IonicContact NH1-OD1 3.29Å; R2736-D2821 IonicContact NH1-OD2 2.92Å; R2736-D2821 PolarHBondContact NH1-OD2 3.18Å; R2736-D2821 IonicContact NH2-OD1 3.37Å; R2736-D2821 PolarHBondContact NH2-OD1 2.88Å; R2736-D2821 IonicContact NH2-OD2 3.69Å; R2736-D2821 PolarHBondContact NH2-OD2 3.05Å; R2736-A2823 HydrophobicContact CG-CB 4.32Å; R2736-Q2824 VanDerWaalsContact NH2-N 3.18Å; R2736-I2827 HydrophobicContact CG-CD1 3.79Å |
| 2737 | I | 81.9 | Confident | 81.9 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 174.2 | -66.8 | -58.3 | 0 | 0 | 0 | 110.9 | Q2563 S2564 L2566 Y2733 N2734 L2740 Q2741 | Q2563-I2737 HydrophobicContact CB-CG2 4.36Å; S2564-I2737 VanDerWaalsContact CB-CG2 3.47Å; L2566-I2737 HydrophobicContact CB-CD1 4.04Å; L2566-I2737 HydrophobicContact CD1-CD1 4.44Å; Y2733-I2737 HydrophobicContact CD1-CG1 4.35Å; Y2733-I2737 HydrophobicContact CE1-CG1 3.9Å; Y2733-I2737 HydrophobicContact CE2-CD1 4.37Å; Y2733-I2737 HydrophobicContact CE2-CG1 4.28Å; Y2733-I2737 WeakPolarHBondContact O-CG1 3.4Å; Y2733-I2737 PolarHBondContact O-N 3.09Å; N2734-I2737 PolarHBondContact O-N 3.15Å; I2737-L2740 WeakPolarHBondContact O-CB 3.28Å; I2737-L2740 PolarHBondContact O-N 3.12Å; I2737-Q2741 WeakPolarHBondContact O-CG 3.4Å; I2737-Q2741 PolarHBondContact O-N 3.12Å |
| 2738 | H | 78.9 | Confident | 81.2 | Confident | 19.25 Ų | 19.25 | 31.2 Ų | 31.2 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.6 | -178.8 | -96.3 | 0 | 0 | 0 | 111.7 | N2734 S2735 R2736 L2740 Q2741 Q2742 C2759 | N2734-H2738 WeakPolarHBondContact O-CB 3.4Å; N2734-H2738 PolarHBondContact O-N 2.89Å; S2735-H2738 WeakPolarHBondContact O-CB 3.05Å; S2735-H2738 PolarHBondContact O-N 3.24Å; R2736-H2738 VanDerWaalsContact C-N 3.33Å; H2738-L2740 VanDerWaalsContact C-N 3.34Å; H2738-L2740 PolarHBondContact O-N 3.2Å; H2738-Q2741 WeakPolarHBondContact O-CB 3.44Å; H2738-Q2741 PolarHBondContact O-N 3.09Å; H2738-Q2742 VanDerWaalsContact CE1-CD 3.47Å; H2738-Q2742 PolarHBondContact CE1-NE2 3.12Å; H2738-Q2742 VanDerWaalsContact CE1-NE2 3.25Å; H2738-Q2742 PolarHBondContact CE1-OE1 3.42Å; H2738-Q2742 PolarHBondContact ND1-OE1 3.1Å; H2738-Q2742 PolarHBondContact NE2-NE2 2.92Å; H2738-Q2742 WeakPolarHBondContact O-CG 3.37Å; H2738-Q2742 PolarHBondContact O-N 3.06Å; H2738-C2759 VanDerWaalsContact CD2-SG 3.51Å |
| 2739 | L | 80.6 | Confident | 80.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58 | -45.9 | 173.2 | -179.7 | 55.9 | 0 | 0 | 0 | 111.6 | S2735 R2736 Q2741 Q2742 I2743 I2767 W2768 P2771 Y2774 I2827 M2830 | S2735-L2739 PolarHBondContact O-N 3.17Å; R2736-L2739 PolarHBondContact O-N 2.99Å; L2739-Q2741 VanDerWaalsContact C-N 3.33Å; L2739-Q2741 PolarHBondContact O-N 2.99Å; L2739-Q2742 PolarHBondContact O-N 3Å; L2739-Q2742 VanDerWaalsContact O-N 3.17Å; L2739-I2743 HydrophobicContact CD1-CD1 4.35Å; L2739-I2743 HydrophobicContact CD1-CG1 4.36Å; L2739-I2743 HydrophobicContact CG-CD1 4.1Å; L2739-I2743 VanDerWaalsContact O-CG1 3.31Å; L2739-I2743 WeakPolarHBondContact O-CG1 3.32Å; L2739-I2743 PolarHBondContact O-N 3.17Å; L2739-I2767 HydrophobicContact CB-CG2 3.88Å; L2739-I2767 HydrophobicContact CD1-CG2 4.18Å; L2739-I2767 HydrophobicContact CD2-CG2 4.07Å; L2739-I2767 HydrophobicContact CG-CG2 4.26Å; L2739-W2768 HydrophobicContact CD1-CD2 4.11Å; L2739-W2768 HydrophobicContact CD1-CE3 3.28Å; L2739-W2768 HydrophobicContact CD1-CG 4.14Å; L2739-W2768 HydrophobicContact CD1-CZ2 4.29Å; L2739-W2768 HydrophobicContact CD1-CZ3 3.6Å; L2739-W2768 VanDerWaalsContact CD1-NE1 3.31Å; L2739-P2771 HydrophobicContact CD2-CB 4.14Å; L2739-Y2774 HydrophobicContact CD2-CD2 4.28Å; L2739-Y2774 HydrophobicContact CD2-CG 4.4Å; L2739-I2827 HydrophobicContact CD2-CD1 3.94Å; L2739-I2827 HydrophobicContact CD2-CG1 3.91Å; L2739-I2827 HydrophobicContact CD2-CG2 4.27Å; L2739-I2827 HydrophobicContact CG-CD1 4.47Å; L2739-I2827 HydrophobicContact CG-CG1 4.31Å; L2739-M2830 HydrophobicContact CD1-CE 4.08Å; L2739-M2830 HydrophobicContact CD1-SD 4.39Å; L2739-M2830 HydrophobicContact CD2-CE 4.43Å |
| 2740 | L | 82 | Confident | 79.9 | Confident | 11.75 Ų | 11.75 | 34.8 Ų | 34.8 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 176 | 177.7 | 64.3 | 0 | 0 | 0 | 112.1 | L2566 R2736 I2737 H2738 Q2742 I2743 C2744 A2823 F2826 | L2566-L2740 HydrophobicContact CD1-CD2 3.92Å; R2736-L2740 PolarHBondContact O-N 3Å; I2737-L2740 WeakPolarHBondContact O-CB 3.28Å; I2737-L2740 PolarHBondContact O-N 3.12Å; H2738-L2740 VanDerWaalsContact C-N 3.34Å; H2738-L2740 PolarHBondContact O-N 3.2Å; L2740-Q2742 VanDerWaalsContact C-N 3.33Å; L2740-Q2742 PolarHBondContact O-N 2.9Å; L2740-I2743 WeakPolarHBondContact O-CB 3.46Å; L2740-I2743 PolarHBondContact O-N 3.19Å; L2740-C2744 PolarHBondContact O-N 3.19Å; L2740-C2744 PolarHBondContact O-SG 3.25Å; L2740-C2744 VanDerWaalsContact O-SG 3.33Å; L2740-A2823 HydrophobicContact CD2-CB 4.04Å; L2740-F2826 HydrophobicContact CD1-CB 3.55Å; L2740-F2826 HydrophobicContact CD1-CD1 4.26Å; L2740-F2826 HydrophobicContact CD1-CD2 3.89Å; L2740-F2826 HydrophobicContact CD1-CG 3.66Å |
| 2741 | Q | 79.6 | Confident | 78.8 | Confident | 86.5 Ų | 86.5 | 38.9 Ų | 38.9 | 40% | 0.404 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.5 | -73.2 | 172.9 | -16.9 | 0 | 0 | 111.5 | I2737 H2738 L2739 I2743 C2744 L2745 | I2737-Q2741 WeakPolarHBondContact O-CG 3.4Å; I2737-Q2741 PolarHBondContact O-N 3.12Å; H2738-Q2741 WeakPolarHBondContact O-CB 3.44Å; H2738-Q2741 PolarHBondContact O-N 3.09Å; L2739-Q2741 VanDerWaalsContact C-N 3.33Å; L2739-Q2741 PolarHBondContact O-N 2.99Å; Q2741-I2743 VanDerWaalsContact C-N 3.33Å; Q2741-I2743 PolarHBondContact O-N 3.24Å; Q2741-C2744 WeakPolarHBondContact O-CB 3.38Å; Q2741-C2744 PolarHBondContact O-N 3.18Å; Q2741-L2745 WeakPolarHBondContact O-CD1 3.39Å; Q2741-L2745 VanDerWaalsContact O-CG 3.24Å; Q2741-L2745 WeakPolarHBondContact O-CG 3.29Å; Q2741-L2745 PolarHBondContact O-N 3.25Å |
| 2742 | Q | 78.3 | Confident | 77.7 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -39.9 | 176.3 | -68.7 | -159.1 | -35.9 | 0 | 0 | 111.9 | H2738 L2739 L2740 C2744 L2745 E2746 I2755 W2768 | H2738-Q2742 VanDerWaalsContact CE1-CD 3.47Å; H2738-Q2742 PolarHBondContact CE1-NE2 3.12Å; H2738-Q2742 VanDerWaalsContact CE1-NE2 3.25Å; H2738-Q2742 PolarHBondContact CE1-OE1 3.42Å; H2738-Q2742 PolarHBondContact ND1-OE1 3.1Å; H2738-Q2742 PolarHBondContact NE2-NE2 2.92Å; H2738-Q2742 WeakPolarHBondContact O-CG 3.37Å; H2738-Q2742 PolarHBondContact O-N 3.06Å; L2739-Q2742 PolarHBondContact O-N 3Å; L2739-Q2742 VanDerWaalsContact O-N 3.17Å; L2740-Q2742 VanDerWaalsContact C-N 3.33Å; L2740-Q2742 PolarHBondContact O-N 2.9Å; Q2742-C2744 VanDerWaalsContact C-N 3.32Å; Q2742-C2744 PolarHBondContact O-N 3.26Å; Q2742-L2745 PolarHBondContact O-N 3.22Å; Q2742-E2746 PolarHBondContact O-N 3.35Å; Q2742-I2755 HydrophobicContact CG-CD1 4.27Å; Q2742-W2768 VanDerWaalsContact C-CZ3 3.43Å; Q2742-W2768 VanDerWaalsContact CB-CE2 3.46Å; Q2742-W2768 HydrophobicContact CB-CE3 3.59Å; Q2742-W2768 HydrophobicContact CB-CH2 4.24Å; Q2742-W2768 HydrophobicContact CB-CZ2 3.27Å; Q2742-W2768 HydrophobicContact CB-CZ3 3.11Å; Q2742-W2768 HydrophobicContact CG-CE3 4.45Å; Q2742-W2768 HydrophobicContact CG-CZ3 4.37Å |
| 2743 | I | 80.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 174.2 | -70.5 | 166.2 | 0 | 0 | 0 | 110.4 | L2739 L2740 Q2741 L2745 E2746 K2747 W2768 Y2800 F2826 I2827 M2830 | L2739-I2743 HydrophobicContact CD1-CD1 4.35Å; L2739-I2743 HydrophobicContact CD1-CG1 4.36Å; L2739-I2743 HydrophobicContact CG-CD1 4.1Å; L2739-I2743 VanDerWaalsContact O-CG1 3.31Å; L2739-I2743 WeakPolarHBondContact O-CG1 3.32Å; L2739-I2743 PolarHBondContact O-N 3.17Å; L2740-I2743 WeakPolarHBondContact O-CB 3.46Å; L2740-I2743 PolarHBondContact O-N 3.19Å; Q2741-I2743 VanDerWaalsContact C-N 3.33Å; Q2741-I2743 PolarHBondContact O-N 3.24Å; I2743-L2745 VanDerWaalsContact C-N 3.31Å; I2743-L2745 PolarHBondContact O-N 3.11Å; I2743-E2746 PolarHBondContact O-N 3.19Å; I2743-K2747 HydrophobicContact CG2-CD 4.23Å; I2743-K2747 WeakPolarHBondContact O-CB 3.47Å; I2743-K2747 WeakPolarHBondContact O-CG 3.35Å; I2743-K2747 PolarHBondContact O-N 3.12Å; I2743-W2768 HydrophobicContact CB-CH2 4.17Å; I2743-W2768 HydrophobicContact CB-CZ3 4.47Å; I2743-W2768 HydrophobicContact CG1-CH2 3.8Å; I2743-W2768 HydrophobicContact CG1-CZ2 4.2Å; I2743-W2768 HydrophobicContact CG1-CZ3 3.7Å; I2743-W2768 VanDerWaalsContact N-CZ3 3.34Å; I2743-Y2800 HydrophobicContact CG2-CE2 4.09Å; I2743-Y2800 WeakPolarHBondContact CG2-OH 3.28Å; I2743-F2826 HydrophobicContact CD1-CB 4.44Å; I2743-F2826 HydrophobicContact CG2-CB 4.41Å; I2743-F2826 HydrophobicContact CG2-CD1 3.84Å; I2743-I2827 HydrophobicContact CD1-CG1 4.02Å; I2743-M2830 HydrophobicContact CD1-CB 4.16Å; I2743-M2830 HydrophobicContact CD1-CE 4.38Å; I2743-M2830 HydrophobicContact CD1-CG 4.45Å; I2743-M2830 HydrophobicContact CD1-SD 3.72Å; I2743-M2830 HydrophobicContact CG1-CG 4.44Å; I2743-M2830 HydrophobicContact CG1-SD 3.55Å; I2743-M2830 VanDerWaalsContact CG1-SD 3.55Å |
| 2744 | C | 80.4 | Confident | 75.5 | Confident | 43.25 Ų | 43.25 | 47.7 Ų | 47.7 | 29% | 0.292 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 178.7 | -69.5 | 0 | 0 | 0 | 0 | 112.2 | L2740 Q2741 Q2742 K2747 M2748 | L2740-C2744 PolarHBondContact O-N 3.19Å; L2740-C2744 PolarHBondContact O-SG 3.25Å; L2740-C2744 VanDerWaalsContact O-SG 3.33Å; Q2741-C2744 WeakPolarHBondContact O-CB 3.38Å; Q2741-C2744 PolarHBondContact O-N 3.18Å; Q2742-C2744 VanDerWaalsContact C-N 3.32Å; Q2742-C2744 PolarHBondContact O-N 3.26Å; C2744-K2747 PolarHBondContact O-N 3.09Å; C2744-M2748 VanDerWaalsContact O-CG 3.3Å; C2744-M2748 WeakPolarHBondContact O-CG 3.28Å; C2744-M2748 PolarHBondContact O-N 3.23Å; C2744-M2748 VanDerWaalsContact O-N 3.08Å |
| 2745 | L | 78.1 | Confident | 74 | Confident | 33.25 Ų | 33.25 | 49.7 Ų | 49.7 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.4 | -41.6 | 179.1 | -70.1 | 166.4 | 0 | 0 | 0 | 113 | Q2741 Q2742 I2743 K2747 M2748 G2749 L2750 I2755 | Q2741-L2745 WeakPolarHBondContact O-CD1 3.39Å; Q2741-L2745 VanDerWaalsContact O-CG 3.24Å; Q2741-L2745 WeakPolarHBondContact O-CG 3.29Å; Q2741-L2745 PolarHBondContact O-N 3.25Å; Q2742-L2745 PolarHBondContact O-N 3.22Å; I2743-L2745 VanDerWaalsContact C-N 3.31Å; I2743-L2745 PolarHBondContact O-N 3.11Å; L2745-K2747 VanDerWaalsContact C-N 3.31Å; L2745-K2747 PolarHBondContact O-N 3.08Å; L2745-M2748 CarbonylContact O-C 3.55Å; L2745-M2748 WeakPolarHBondContact O-CA 3.29Å; L2745-M2748 WeakPolarHBondContact O-CB 3.42Å; L2745-M2748 PolarHBondContact O-N 3.19Å; L2745-M2748 VanDerWaalsContact O-N 3.1Å; L2745-G2749 PolarHBondContact O-N 2.99Å; L2745-G2749 VanDerWaalsContact O-N 3.15Å; L2745-L2750 HydrophobicContact CD2-CB 4.31Å; L2745-L2750 HydrophobicContact CD2-CD1 3.78Å; L2745-L2750 PolarHBondContact O-N 3.13Å; L2745-L2750 VanDerWaalsContact O-N 3.09Å; L2745-I2755 HydrophobicContact CD1-CD1 3.16Å; L2745-I2755 HydrophobicContact CD1-CG1 3.41Å; L2745-I2755 HydrophobicContact CD2-CD1 3.73Å; L2745-I2755 HydrophobicContact CD2-CG1 4.42Å; L2745-I2755 HydrophobicContact CG-CD1 4Å |
| 2746 | E | 76.8 | Confident | 72.7 | Confident | 15.75 Ų | 15.75 | 51.5 Ų | 51.5 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.1 | -39 | 174.8 | -95.5 | -140.8 | 162.6 | 0 | 0 | 111.2 | Q2742 I2743 M2748 G2749 R2752 W2768 L2799 Y2800 | Q2742-E2746 PolarHBondContact O-N 3.35Å; I2743-E2746 PolarHBondContact O-N 3.19Å; E2746-M2748 PolarHBondContact O-N 2.9Å; E2746-G2749 PolarHBondContact O-N 2.99Å; E2746-R2752 IonicContact OE1-CZ 3.25Å; E2746-R2752 VanDerWaalsContact OE1-CZ 3.23Å; E2746-R2752 IonicContact OE1-NE 3.58Å; E2746-R2752 PolarHBondContact OE1-NE 3.01Å; E2746-R2752 VanDerWaalsContact OE1-NE 3.11Å; E2746-R2752 IonicContact OE1-NH2 3.64Å; E2746-R2752 PolarHBondContact OE1-NH2 3.22Å; E2746-R2752 IonicContact OE2-NH1 2.72Å; E2746-W2768 HydrophobicContact CB-CH2 4.4Å; E2746-W2768 HydrophobicContact CB-CZ2 4.3Å; E2746-W2768 VanDerWaalsContact CD-CH2 3.43Å; E2746-W2768 HydrophobicContact CG-CH2 3.85Å; E2746-W2768 HydrophobicContact CG-CZ2 3.67Å; E2746-W2768 HydrophobicContact CG-CZ3 4.24Å; E2746-W2768 WeakPolarHBondContact OE1-CH2 3.28Å; E2746-W2768 WeakPolarHBondContact OE2-CH2 3.17Å; E2746-W2768 WeakPolarHBondContact OE2-CZ2 3.28Å; E2746-W2768 WeakPolarHBondContact OE2-CZ3 3.39Å; E2746-L2799 PolarHBondContact OE1-N 3.28Å; E2746-L2799 PolarHBondContact OE2-N 2.8Å; E2746-Y2800 HydrophobicContact CB-CD2 3.86Å; E2746-Y2800 HydrophobicContact CB-CG 4.49Å; E2746-Y2800 HydrophobicContact CG-CD2 3.89Å; E2746-Y2800 PolarHBondContact OE1-N 3.05Å |
| 2747 | K | 79.6 | Confident | 71.1 | Confident | 73.75 Ų | 73.75 | 58.9 Ų | 58.9 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -28 | 171.9 | -75.4 | -176.6 | 173.2 | -167.7 | 0 | 113.4 | I2743 C2744 L2745 G2749 Y2800 F2826 | I2743-K2747 HydrophobicContact CG2-CD 4.23Å; I2743-K2747 WeakPolarHBondContact O-CB 3.47Å; I2743-K2747 WeakPolarHBondContact O-CG 3.35Å; I2743-K2747 PolarHBondContact O-N 3.12Å; C2744-K2747 PolarHBondContact O-N 3.09Å; L2745-K2747 VanDerWaalsContact C-N 3.31Å; L2745-K2747 PolarHBondContact O-N 3.08Å; K2747-G2749 VanDerWaalsContact C-N 3.29Å; K2747-Y2800 HydrophobicContact CD-CD1 4.47Å; K2747-Y2800 HydrophobicContact CD-CE1 4.21Å; K2747-Y2800 HydrophobicContact CG-CD1 3.73Å; K2747-Y2800 HydrophobicContact CG-CD2 4.41Å; K2747-Y2800 HydrophobicContact CG-CE1 3.87Å; K2747-Y2800 HydrophobicContact CG-CG 4.01Å; K2747-F2826 HydrophobicContact CD-CD1 4.37Å; K2747-F2826 HydrophobicContact CD-CE1 4.07Å; K2747-F2826 VanDerWaalsContact NZ-CD1 3.32Å; K2747-F2826 VanDerWaalsContact NZ-CE1 3.29Å |
| 2748 | M | 76 | Confident | 69.4 | Low | 138.75 Ų | 138.75 | 68.8 Ų | 68.8 | 68% | 0.683 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -4.2 | 173.5 | -69.4 | 175.4 | -176.5 | 0 | 0 | 113.1 | C2744 L2745 E2746 L2750 | C2744-M2748 VanDerWaalsContact O-CG 3.3Å; C2744-M2748 WeakPolarHBondContact O-CG 3.28Å; C2744-M2748 PolarHBondContact O-N 3.23Å; C2744-M2748 VanDerWaalsContact O-N 3.08Å; L2745-M2748 CarbonylContact O-C 3.55Å; L2745-M2748 WeakPolarHBondContact O-CA 3.29Å; L2745-M2748 WeakPolarHBondContact O-CB 3.42Å; L2745-M2748 PolarHBondContact O-N 3.19Å; L2745-M2748 VanDerWaalsContact O-N 3.1Å; E2746-M2748 PolarHBondContact O-N 2.9Å; M2748-L2750 VanDerWaalsContact C-N 3.28Å; M2748-L2750 HydrophobicContact CB-CD1 4.18Å; M2748-L2750 HydrophobicContact CB-CG 4.18Å; M2748-L2750 PolarHBondContact O-N 3.21Å; M2748-L2750 HydrophobicContact SD-CD1 4.41Å |
| 2749 | G | 72.6 | Confident | 67.9 | Low | 43.75 Ų | 43.75 | 70.3 Ų | 70.3 | 45% | 0.451 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 20.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | L2745 E2746 K2747 | L2745-G2749 PolarHBondContact O-N 2.99Å; L2745-G2749 VanDerWaalsContact O-N 3.15Å; E2746-G2749 PolarHBondContact O-N 2.99Å; K2747-G2749 VanDerWaalsContact C-N 3.29Å |
| 2750 | L | 70 | Confident | 66.4 | Low | 81.75 Ų | 81.75 | 78.3 Ų | 78.3 | 43% | 0.428 | 43% | 0.425 | S | S | . | . | trans | -89 | 133.8 | 178.5 | -67.5 | 172.3 | 0 | 0 | 0 | 110.5 | L2745 M2748 | L2745-L2750 HydrophobicContact CD2-CB 4.31Å; L2745-L2750 HydrophobicContact CD2-CD1 3.78Å; L2745-L2750 PolarHBondContact O-N 3.13Å; L2745-L2750 VanDerWaalsContact O-N 3.09Å; M2748-L2750 VanDerWaalsContact C-N 3.28Å; M2748-L2750 HydrophobicContact CB-CD1 4.18Å; M2748-L2750 HydrophobicContact CB-CG 4.18Å; M2748-L2750 PolarHBondContact O-N 3.21Å; M2748-L2750 HydrophobicContact SD-CD1 4.41Å | ||
| 2751 | P | 64.7 | Low | 65 | Low | 93 Ų | 93 | 82.8 Ų | 82.8 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | trans | -64.4 | 141.1 | 178.8 | 25.7 | -32.4 | 0 | 0 | 0 | 110.6 | N2753 A2754 | P2751-N2753 PolarHBondContact O-N 2.99Å; P2751-N2753 VanDerWaalsContact O-N 3.07Å; P2751-A2754 HydrophobicContact CG-CB 4.44Å; P2751-A2754 WeakPolarHBondContact O-CB 3.38Å; P2751-A2754 PolarHBondContact O-N 3.13Å | ||
| 2752 | R | 60 | Low | 63.4 | Low | 72.5 Ų | 72.5 | 83.2 Ų | 83.2 | 27% | 0.274 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -53.2 | -34.7 | -175 | -62.7 | -174.7 | -155.2 | -167.7 | 10.8 | 113.8 | E2746 A2754 I2755 W2768 V2796 E2797 | E2746-R2752 IonicContact OE1-CZ 3.25Å; E2746-R2752 VanDerWaalsContact OE1-CZ 3.23Å; E2746-R2752 IonicContact OE1-NE 3.58Å; E2746-R2752 PolarHBondContact OE1-NE 3.01Å; E2746-R2752 VanDerWaalsContact OE1-NE 3.11Å; E2746-R2752 IonicContact OE1-NH2 3.64Å; E2746-R2752 PolarHBondContact OE1-NH2 3.22Å; E2746-R2752 IonicContact OE2-NH1 2.72Å; R2752-A2754 PolarHBondContact O-N 2.84Å; R2752-A2754 VanDerWaalsContact O-N 3.16Å; R2752-I2755 PolarHBondContact O-N 3.27Å; R2752-W2768 VanDerWaalsContact CZ-CE3 3.44Å; R2752-W2768 VanDerWaalsContact NH1-NE1 3.17Å; R2752-W2768 VanDerWaalsContact NH2-CE3 3.35Å; R2752-V2796 PolarHBondContact NH1-O 3.08Å; R2752-V2796 PolarHBondContact NH2-O 3.13Å; R2752-E2797 VanDerWaalsContact NH2-CA 3.35Å; R2752-E2797 VanDerWaalsContact NH2-CG 3.35Å |
| 2753 | N | 60.1 | Low | 62 | Low | 155.25 Ų | 155.25 | 85.5 Ų | 85.5 | 83% | 0.83 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -70.4 | -5.9 | 179.4 | -63.6 | -7.8 | 0 | 0 | 0 | 113.6 | P2751 I2755 | P2751-N2753 PolarHBondContact O-N 2.99Å; P2751-N2753 VanDerWaalsContact O-N 3.07Å; N2753-I2755 VanDerWaalsContact C-N 3.26Å; N2753-I2755 PolarHBondContact O-N 3.01Å |
| 2754 | A | 57.7 | Low | 60.6 | Low | 64 Ų | 64 | 86.2 Ų | 86.2 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -68.6 | -23.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P2751 R2752 G2756 | P2751-A2754 HydrophobicContact CG-CB 4.44Å; P2751-A2754 WeakPolarHBondContact O-CB 3.38Å; P2751-A2754 PolarHBondContact O-N 3.13Å; R2752-A2754 PolarHBondContact O-N 2.84Å; R2752-A2754 VanDerWaalsContact O-N 3.16Å; A2754-G2756 VanDerWaalsContact C-N 3.3Å; A2754-G2756 PolarHBondContact O-N 2.84Å |
| 2755 | I | 54.9 | Low | 59.3 | Low | 64.5 Ų | 64.5 | 91.7 Ų | 91.7 | 33% | 0.331 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -79.7 | 101.4 | 166.4 | -49.2 | 178.2 | 0 | 0 | 0 | 106.4 | Q2742 L2745 R2752 N2753 | Q2742-I2755 HydrophobicContact CG-CD1 4.27Å; L2745-I2755 HydrophobicContact CD1-CD1 3.16Å; L2745-I2755 HydrophobicContact CD1-CG1 3.41Å; L2745-I2755 HydrophobicContact CD2-CD1 3.73Å; L2745-I2755 HydrophobicContact CD2-CG1 4.42Å; L2745-I2755 HydrophobicContact CG-CD1 4Å; R2752-I2755 PolarHBondContact O-N 3.27Å; N2753-I2755 VanDerWaalsContact C-N 3.26Å; N2753-I2755 PolarHBondContact O-N 3.01Å |
| 2756 | G | 50.6 | Low | 58.4 | Low | 41.5 Ų | 41.5 | 94.4 Ų | 94.4 | 43% | 0.428 | 52% | 0.517 | S | S | . | . | trans | -48.6 | 152.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A2754 Y2758 | A2754-G2756 VanDerWaalsContact C-N 3.3Å; A2754-G2756 PolarHBondContact O-N 2.84Å; G2756-Y2758 VanDerWaalsContact O-CD2 3.3Å; G2756-Y2758 WeakPolarHBondContact O-CD2 3.29Å; G2756-Y2758 PolarHBondContact O-N 3.24Å | ||
| 2757 | N | 48.6 | Very low | 57.7 | Low | 165.25 Ų | 165.25 | 93.9 Ų | 93.9 | 88% | 0.884 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -46.7 | 55.1 | -173.2 | -68.6 | -20.4 | 0 | 0 | 0 | 117.2 | C2759 | N2757-C2759 VanDerWaalsContact C-N 3.32Š|
| 2758 | Y | 47.4 | Very low | 57.1 | Low | 210.75 Ų | 210.75 | 90.9 Ų | 90.9 | 83% | 0.826 | 50% | 0.501 | S | S | * | . | trans | -85.8 | -3.3 | 179.4 | -82.9 | -75.2 | 0 | 0 | 0 | 112.9 | G2756 | G2756-Y2758 VanDerWaalsContact O-CD2 3.3Å; G2756-Y2758 WeakPolarHBondContact O-CD2 3.29Å; G2756-Y2758 PolarHBondContact O-N 3.24Å | ||
| 2759 | C | 47.7 | Very low | 56.5 | Low | 50.75 Ų | 50.75 | 89.1 Ų | 89.1 | 34% | 0.343 | 49% | 0.492 | S | S | . | . | trans | -111.9 | 98.3 | 174 | -86.3 | 0 | 0 | 0 | 0 | 111.1 | H2738 N2757 E2761 L2764 | H2738-C2759 VanDerWaalsContact CD2-SG 3.51Å; N2757-C2759 VanDerWaalsContact C-N 3.32Å; C2759-E2761 VanDerWaalsContact C-N 3.29Å; C2759-L2764 HydrophobicContact CB-CD1 3.97Å; C2759-L2764 WeakPolarHBondContact SG-CD1 3.36Å | ||
| 2760 | I | 48.5 | Very low | 56.4 | Low | 166.25 Ų | 166.25 | 89.4 Ų | 89.4 | 85% | 0.853 | 48% | 0.483 | S | S | * | . | trans | -79.5 | -15.5 | 176.5 | -62.1 | 170 | 0 | 0 | 0 | 111.4 | S2762 | I2760-S2762 PolarHBondContact O-N 2.84Š| ||
| 2761 | E | 52.1 | Low | 56.7 | Low | 108 Ų | 108 | 85.6 Ų | 85.6 | 51% | 0.505 | 46% | 0.463 | S | S | . | . | trans | -85.1 | 108.4 | -178.2 | -69.4 | -175.8 | 164.1 | 0 | 0 | 111.2 | H2731 C2759 C2763 L2764 | H2731-E2761 IonicContact CD2-OE2 3.41Å; H2731-E2761 PolarHBondContact CD2-OE2 3.43Å; H2731-E2761 IonicContact NE2-OE2 3.15Å; H2731-E2761 PolarHBondContact NE2-OE2 2.84Å; C2759-E2761 VanDerWaalsContact C-N 3.29Å; E2761-C2763 PolarHBondContact O-N 3.23Å; E2761-C2763 VanDerWaalsContact O-N 3.07Å; E2761-L2764 HydrophobicContact CB-CD1 4.21Å; E2761-L2764 HydrophobicContact CB-CG 4.21Å; E2761-L2764 WeakPolarHBondContact O-CB 3.27Å; E2761-L2764 PolarHBondContact O-N 3.04Å | ||
| 2762 | S | 46.2 | Very low | 57.3 | Low | 93.25 Ų | 93.25 | 84.8 Ų | 84.8 | 65% | 0.652 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -50.4 | -26 | 175.5 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | I2760 L2764 Q2765 | I2760-S2762 PolarHBondContact O-N 2.84Å; S2762-L2764 PolarHBondContact O-N 3.08Å; S2762-Q2765 PolarHBondContact O-N 3.12Å |
| 2763 | C | 48.2 | Very low | 57.7 | Low | 81 Ų | 81 | 84.9 Ų | 84.9 | 55% | 0.547 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -60.4 | -26 | 175.9 | -54.6 | 0 | 0 | 0 | 0 | 113.6 | E2761 | E2761-C2763 PolarHBondContact O-N 3.23Å; E2761-C2763 VanDerWaalsContact O-N 3.07Å |
| 2764 | L | 51.7 | Low | 58.4 | Low | 13.5 Ų | 13.5 | 79 Ų | 79 | 7% | 0.071 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -83.5 | -16.9 | -172.6 | -58.2 | 176.3 | 0 | 0 | 0 | 113.5 | S2735 C2759 E2761 S2762 N2766 I2767 | S2735-L2764 VanDerWaalsContact OG-CD2 3.31Å; S2735-L2764 WeakPolarHBondContact OG-CD2 3.34Å; C2759-L2764 HydrophobicContact CB-CD1 3.97Å; C2759-L2764 WeakPolarHBondContact SG-CD1 3.36Å; E2761-L2764 HydrophobicContact CB-CD1 4.21Å; E2761-L2764 HydrophobicContact CB-CG 4.21Å; E2761-L2764 WeakPolarHBondContact O-CB 3.27Å; E2761-L2764 PolarHBondContact O-N 3.04Å; S2762-L2764 PolarHBondContact O-N 3.08Å; L2764-N2766 VanDerWaalsContact C-N 3.28Å; L2764-N2766 PolarHBondContact O-N 3.1Å; L2764-I2767 HydrophobicContact CB-CD1 3.93Å; L2764-I2767 HydrophobicContact CD2-CD1 3.29Å; L2764-I2767 HydrophobicContact CD2-CG1 4.44Å; L2764-I2767 HydrophobicContact CG-CD1 4.19Å; L2764-I2767 WeakPolarHBondContact O-CB 3.47Å; L2764-I2767 WeakPolarHBondContact O-CG1 3.48Å; L2764-I2767 PolarHBondContact O-N 3.19Å |
| 2765 | Q | 54.4 | Low | 59.1 | Low | 158.75 Ų | 158.75 | 77.5 Ų | 77.5 | 74% | 0.742 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.2 | -178.2 | -75.1 | -177.6 | -13.8 | 0 | 0 | 113 | S2762 | S2762-Q2765 PolarHBondContact O-N 3.12Š|
| 2766 | N | 57.6 | Low | 59.6 | Low | 91 Ų | 91 | 77.2 Ų | 77.2 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -0.2 | -175.7 | -63.8 | -16.9 | 0 | 0 | 0 | 114 | L2764 W2768 Q2769 N2770 | L2764-N2766 VanDerWaalsContact C-N 3.28Å; L2764-N2766 PolarHBondContact O-N 3.1Å; N2766-W2768 VanDerWaalsContact C-N 3.27Å; N2766-W2768 PolarHBondContact O-N 3.04Å; N2766-Q2769 WeakPolarHBondContact O-CB 3.33Å; N2766-Q2769 PolarHBondContact O-N 2.93Å; N2766-Q2769 VanDerWaalsContact O-N 3.1Å; N2766-N2770 PolarHBondContact O-N 2.98Å |
| 2767 | I | 63.4 | Low | 60 | Low | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -58.5 | -38.9 | -177.3 | -67.6 | 175.4 | 0 | 0 | 0 | 111.6 | S2735 L2739 L2764 Q2769 N2770 Y2774 | S2735-I2767 VanDerWaalsContact CB-CD1 3.48Å; L2739-I2767 HydrophobicContact CB-CG2 3.88Å; L2739-I2767 HydrophobicContact CD1-CG2 4.18Å; L2739-I2767 HydrophobicContact CD2-CG2 4.07Å; L2739-I2767 HydrophobicContact CG-CG2 4.26Å; L2764-I2767 HydrophobicContact CB-CD1 3.93Å; L2764-I2767 HydrophobicContact CD2-CD1 3.29Å; L2764-I2767 HydrophobicContact CD2-CG1 4.44Å; L2764-I2767 HydrophobicContact CG-CD1 4.19Å; L2764-I2767 WeakPolarHBondContact O-CB 3.47Å; L2764-I2767 WeakPolarHBondContact O-CG1 3.48Å; L2764-I2767 PolarHBondContact O-N 3.19Å; I2767-Q2769 PolarHBondContact O-N 3.11Å; I2767-N2770 CarbonylContact O-C 3.55Å; I2767-N2770 PolarHBondContact O-N 3.29Å; I2767-Y2774 HydrophobicContact CB-CE2 4.27Å; I2767-Y2774 WeakPolarHBondContact CD1-OH 3.38Å; I2767-Y2774 HydrophobicContact CG1-CE1 4.5Å; I2767-Y2774 HydrophobicContact CG1-CE2 4.29Å; I2767-Y2774 WeakPolarHBondContact CG1-OH 3.18Å; I2767-Y2774 HydrophobicContact CG2-CD2 3.94Å; I2767-Y2774 HydrophobicContact CG2-CE2 3.62Å; I2767-Y2774 HydrophobicContact CG2-CG 4.35Å |
| 2768 | W | 65.6 | Low | 60.5 | Low | 10.5 Ų | 10.5 | 72.8 Ų | 72.8 | 4% | 0.04 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -65.5 | -23.4 | -179.4 | -126.7 | 58 | 0 | 0 | 0 | 113.8 | L2739 Q2742 I2743 E2746 R2752 N2766 N2770 V2796 L2799 Y2800 M2830 | L2739-W2768 HydrophobicContact CD1-CD2 4.11Å; L2739-W2768 HydrophobicContact CD1-CE3 3.28Å; L2739-W2768 HydrophobicContact CD1-CG 4.14Å; L2739-W2768 HydrophobicContact CD1-CZ2 4.29Å; L2739-W2768 HydrophobicContact CD1-CZ3 3.6Å; L2739-W2768 VanDerWaalsContact CD1-NE1 3.31Å; Q2742-W2768 VanDerWaalsContact C-CZ3 3.43Å; Q2742-W2768 VanDerWaalsContact CB-CE2 3.46Å; Q2742-W2768 HydrophobicContact CB-CE3 3.59Å; Q2742-W2768 HydrophobicContact CB-CH2 4.24Å; Q2742-W2768 HydrophobicContact CB-CZ2 3.27Å; Q2742-W2768 HydrophobicContact CB-CZ3 3.11Å; Q2742-W2768 HydrophobicContact CG-CE3 4.45Å; Q2742-W2768 HydrophobicContact CG-CZ3 4.37Å; I2743-W2768 HydrophobicContact CB-CH2 4.17Å; I2743-W2768 HydrophobicContact CB-CZ3 4.47Å; I2743-W2768 HydrophobicContact CG1-CH2 3.8Å; I2743-W2768 HydrophobicContact CG1-CZ2 4.2Å; I2743-W2768 HydrophobicContact CG1-CZ3 3.7Å; I2743-W2768 VanDerWaalsContact N-CZ3 3.34Å; E2746-W2768 HydrophobicContact CB-CH2 4.4Å; E2746-W2768 HydrophobicContact CB-CZ2 4.3Å; E2746-W2768 VanDerWaalsContact CD-CH2 3.43Å; E2746-W2768 HydrophobicContact CG-CH2 3.85Å; E2746-W2768 HydrophobicContact CG-CZ2 3.67Å; E2746-W2768 HydrophobicContact CG-CZ3 4.24Å; E2746-W2768 WeakPolarHBondContact OE1-CH2 3.28Å; E2746-W2768 WeakPolarHBondContact OE2-CH2 3.17Å; E2746-W2768 WeakPolarHBondContact OE2-CZ2 3.28Å; E2746-W2768 WeakPolarHBondContact OE2-CZ3 3.39Å; R2752-W2768 VanDerWaalsContact CZ-CE3 3.44Å; R2752-W2768 VanDerWaalsContact NH1-NE1 3.17Å; R2752-W2768 VanDerWaalsContact NH2-CE3 3.35Å; N2766-W2768 VanDerWaalsContact C-N 3.27Å; N2766-W2768 PolarHBondContact O-N 3.04Å; W2768-N2770 VanDerWaalsContact C-N 3.33Å; W2768-V2796 VanDerWaalsContact CD1-CG1 3.41Å; W2768-V2796 HydrophobicContact CD2-CG1 4.37Å; W2768-V2796 HydrophobicContact CE3-CB 3.85Å; W2768-V2796 HydrophobicContact CE3-CG1 3.56Å; W2768-V2796 HydrophobicContact CH2-CG1 4.12Å; W2768-V2796 HydrophobicContact CZ3-CB 3.88Å; W2768-V2796 HydrophobicContact CZ3-CG1 3.45Å; W2768-V2796 WeakPolarHBondContact CZ3-O 3.22Å; W2768-V2796 VanDerWaalsContact NE1-CG1 3.3Å; W2768-L2799 HydrophobicContact CH2-CB 3.84Å; W2768-L2799 HydrophobicContact CH2-CD2 4.3Å; W2768-L2799 HydrophobicContact CZ3-CB 3.96Å; W2768-L2799 HydrophobicContact CZ3-CD2 4.32Å; W2768-Y2800 HydrophobicContact CZ2-CE2 4.48Å; W2768-M2830 HydrophobicContact CD2-SD 4.4Å; W2768-M2830 HydrophobicContact CE3-SD 4.2Å; W2768-M2830 HydrophobicContact CH2-SD 3.95Å; W2768-M2830 HydrophobicContact CZ2-SD 4.08Å; W2768-M2830 HydrophobicContact CZ3-SD 4.07Å |
| 2769 | Q | 64.7 | Low | 60.9 | Low | 102.75 Ų | 102.75 | 68.7 Ų | 68.7 | 48% | 0.48 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -76.7 | -28.2 | 180 | -64.1 | 179.8 | -11 | 0 | 0 | 111.7 | N2766 I2767 P2771 K2834 | N2766-Q2769 WeakPolarHBondContact O-CB 3.33Å; N2766-Q2769 PolarHBondContact O-N 2.93Å; N2766-Q2769 VanDerWaalsContact O-N 3.1Å; I2767-Q2769 PolarHBondContact O-N 3.11Å; Q2769-P2771 VanDerWaalsContact C-CD 3.44Å; Q2769-P2771 WeakPolarHBondContact O-CD 3.3Å; Q2769-K2834 PolarHBondContact O-NZ 2.96Å |
| 2770 | N | 70.6 | Confident | 61.1 | Low | 49.25 Ų | 49.25 | 71.9 Ų | 71.9 | 26% | 0.263 | 37% | 0.371 | S | S | . | . | trans | -131.2 | 59.4 | -173.5 | -77.5 | -45.8 | 0 | 0 | 0 | 112.7 | N2766 I2767 W2768 E2772 L2773 Y2774 | N2766-N2770 PolarHBondContact O-N 2.98Å; I2767-N2770 CarbonylContact O-C 3.55Å; I2767-N2770 PolarHBondContact O-N 3.29Å; W2768-N2770 VanDerWaalsContact C-N 3.33Å; N2770-E2772 VanDerWaalsContact C-OE2 3.3Å; N2770-E2772 VanDerWaalsContact CA-OE2 3.26Å; N2770-E2772 WeakPolarHBondContact CA-OE2 3.44Å; N2770-E2772 PolarHBondContact O-N 3.17Å; N2770-E2772 VanDerWaalsContact O-N 3.15Å; N2770-E2772 PolarHBondContact OD1-OE2 2.83Å; N2770-L2773 HydrophobicContact CB-CD1 3.92Å; N2770-L2773 HydrophobicContact CB-CG 4.27Å; N2770-L2773 WeakPolarHBondContact O-CB 3.35Å; N2770-L2773 PolarHBondContact O-N 3.1Å; N2770-L2773 VanDerWaalsContact O-N 3.16Å; N2770-Y2774 WeakPolarHBondContact O-CD2 3.27Å | ||
| 2771 | P | 75.2 | Confident | 61 | Low | 1.25 Ų | 1.25 | 67.7 Ų | 67.7 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -61.6 | -22.4 | -179.4 | 28.3 | -38 | 0 | 0 | 0 | 114.5 | L2739 Q2769 L2773 Y2774 V2775 I2827 M2830 I2831 | L2739-P2771 HydrophobicContact CD2-CB 4.14Å; Q2769-P2771 VanDerWaalsContact C-CD 3.44Å; Q2769-P2771 WeakPolarHBondContact O-CD 3.3Å; P2771-L2773 PolarHBondContact O-N 2.91Å; P2771-L2773 VanDerWaalsContact O-N 3.14Å; P2771-Y2774 PolarHBondContact O-N 3.28Å; P2771-V2775 PolarHBondContact O-N 3.23Å; P2771-I2827 HydrophobicContact CB-CG2 4.06Å; P2771-I2827 WeakPolarHBondContact O-CG2 3.34Å; P2771-M2830 HydrophobicContact CB-CE 3.12Å; P2771-M2830 HydrophobicContact CG-CE 3.46Å; P2771-M2830 VanDerWaalsContact CG-CE 3.42Å; P2771-I2831 HydrophobicContact CB-CD1 4.45Å; P2771-I2831 HydrophobicContact CB-CG1 4.17Å; P2771-I2831 HydrophobicContact CG-CD1 4.48Å; P2771-I2831 HydrophobicContact CG-CG1 3.85Å |
| 2772 | E | 77.2 | Confident | 60.6 | Low | 76.25 Ų | 76.25 | 69.2 Ų | 69.2 | 36% | 0.356 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -57.6 | -29.1 | 178.7 | -55.4 | 82.4 | -179 | 0 | 0 | 111.3 | N2770 Y2774 V2775 S2776 I2831 K2834 | N2770-E2772 VanDerWaalsContact C-OE2 3.3Å; N2770-E2772 VanDerWaalsContact CA-OE2 3.26Å; N2770-E2772 WeakPolarHBondContact CA-OE2 3.44Å; N2770-E2772 PolarHBondContact O-N 3.17Å; N2770-E2772 VanDerWaalsContact O-N 3.15Å; N2770-E2772 PolarHBondContact OD1-OE2 2.83Å; E2772-Y2774 VanDerWaalsContact C-N 3.26Å; E2772-Y2774 PolarHBondContact O-N 3.19Å; E2772-V2775 PolarHBondContact O-N 3.41Å; E2772-S2776 WeakPolarHBondContact O-CB 3.3Å; E2772-S2776 PolarHBondContact O-N 3.38Å; E2772-S2776 VanDerWaalsContact O-N 3.15Å; E2772-S2776 PolarHBondContact O-OG 3.38Å; E2772-I2831 HydrophobicContact CG-CD1 4.14Å; E2772-I2831 HydrophobicContact CG-CG1 4.47Å; E2772-K2834 IonicContact OE1-NZ 3.3Å; E2772-K2834 PolarHBondContact OE1-NZ 3.18Å |
| 2773 | L | 70.2 | Confident | 60.5 | Low | 74.75 Ų | 74.75 | 70.5 Ų | 70.5 | 39% | 0.391 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -70.2 | -16.5 | 176.6 | -64.2 | 177.2 | 0 | 0 | 0 | 113.9 | R2732 N2770 P2771 A2777 L2784 | R2732-L2773 PolarHBondContact NH1-O 2.89Å; R2732-L2773 PolarHBondContact NH2-O 2.77Å; N2770-L2773 HydrophobicContact CB-CD1 3.92Å; N2770-L2773 HydrophobicContact CB-CG 4.27Å; N2770-L2773 WeakPolarHBondContact O-CB 3.35Å; N2770-L2773 PolarHBondContact O-N 3.1Å; N2770-L2773 VanDerWaalsContact O-N 3.16Å; P2771-L2773 PolarHBondContact O-N 2.91Å; P2771-L2773 VanDerWaalsContact O-N 3.14Å; L2773-A2777 WeakPolarHBondContact O-CB 3.49Å; L2773-L2784 HydrophobicContact CD1-CD2 4.07Å; L2773-L2784 HydrophobicContact CD2-CD2 3.81Å; L2773-L2784 HydrophobicContact CD2-CG 4.49Å |
| 2774 | Y | 73.6 | Confident | 60 | Low | 32.25 Ų | 32.25 | 71.3 Ų | 71.3 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -114.7 | -2.2 | -173 | -58.5 | -84.5 | 0 | 0 | 0 | 113.6 | R2732 S2735 R2736 L2739 I2767 N2770 P2771 E2772 I2827 | R2732-Y2774 HydrophobicContact CG-CD1 4.22Å; R2732-Y2774 HydrophobicContact CG-CE1 4.33Å; S2735-Y2774 VanDerWaalsContact CB-CE1 3.43Å; R2736-Y2774 HydrophobicContact CB-CD1 4.41Å; R2736-Y2774 VanDerWaalsContact CD-O 3.22Å; R2736-Y2774 WeakPolarHBondContact CD-O 3.28Å; R2736-Y2774 WeakPolarHBondContact CG-O 3.35Å; R2736-Y2774 PolarHBondContact NE-O 2.94Å; R2736-Y2774 VanDerWaalsContact NE-O 3.08Å; L2739-Y2774 HydrophobicContact CD2-CD2 4.28Å; L2739-Y2774 HydrophobicContact CD2-CG 4.4Å; I2767-Y2774 HydrophobicContact CB-CE2 4.27Å; I2767-Y2774 WeakPolarHBondContact CD1-OH 3.38Å; I2767-Y2774 HydrophobicContact CG1-CE1 4.5Å; I2767-Y2774 HydrophobicContact CG1-CE2 4.29Å; I2767-Y2774 WeakPolarHBondContact CG1-OH 3.18Å; I2767-Y2774 HydrophobicContact CG2-CD2 3.94Å; I2767-Y2774 HydrophobicContact CG2-CE2 3.62Å; I2767-Y2774 HydrophobicContact CG2-CG 4.35Å; N2770-Y2774 WeakPolarHBondContact O-CD2 3.27Å; P2771-Y2774 PolarHBondContact O-N 3.28Å; E2772-Y2774 VanDerWaalsContact C-N 3.26Å; E2772-Y2774 PolarHBondContact O-N 3.19Å; Y2774-I2827 VanDerWaalsContact O-CD1 3.29Å; Y2774-I2827 WeakPolarHBondContact O-CD1 3.4Å |
| 2775 | V | 73.5 | Confident | 59.4 | Low | 32.25 Ų | 32.25 | 78.4 Ų | 78.4 | 20% | 0.195 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -63.6 | -55 | 179.1 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | R2736 P2771 E2772 Q2824 I2827 E2828 I2831 | R2736-V2775 PolarHBondContact NE-O 3.15Å; R2736-V2775 PolarHBondContact NH2-O 3.19Å; R2736-V2775 VanDerWaalsContact NH2-O 3.16Å; P2771-V2775 PolarHBondContact O-N 3.23Å; E2772-V2775 PolarHBondContact O-N 3.41Å; V2775-Q2824 HydrophobicContact CG1-CG 3.97Å; V2775-Q2824 WeakPolarHBondContact O-CB 3.3Å; V2775-Q2824 WeakPolarHBondContact O-CG 3.32Å; V2775-I2827 HydrophobicContact CB-CG2 4.47Å; V2775-I2827 HydrophobicContact CG2-CG2 3.77Å; V2775-E2828 HydrophobicContact CG1-CG 3.69Å; V2775-I2831 HydrophobicContact CG2-CD1 3.29Å |
| 2776 | S | 65.6 | Low | 58.6 | Low | 57 Ų | 57 | 76.7 Ų | 76.7 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | trans | -84.8 | 118.2 | -178.3 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | R2732 E2772 K2778 | R2732-S2776 PolarHBondContact NH2-O 3.48Å; E2772-S2776 WeakPolarHBondContact O-CB 3.3Å; E2772-S2776 PolarHBondContact O-N 3.38Å; E2772-S2776 VanDerWaalsContact O-N 3.15Å; E2772-S2776 PolarHBondContact O-OG 3.38Å; S2776-K2778 VanDerWaalsContact C-N 3.25Å; S2776-K2778 WeakPolarHBondContact CB-O 3.34Å; S2776-K2778 PolarHBondContact O-N 3.05Å; S2776-K2778 PolarHBondContact OG-O 3.11Å | ||
| 2777 | A | 57.9 | Low | 57.5 | Low | 14.75 Ų | 14.75 | 76.5 Ų | 76.5 | 12% | 0.122 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -63.9 | -23.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A2570 E2574 R2736 L2773 R2779 D2821 | A2570-A2777 HydrophobicContact CB-CB 3.36Å; A2570-A2777 VanDerWaalsContact CB-CB 3.41Å; E2574-A2777 VanDerWaalsContact OE2-O 3.09Å; R2736-A2777 VanDerWaalsContact NH1-CB 3.3Å; L2773-A2777 WeakPolarHBondContact O-CB 3.49Å; A2777-R2779 PolarHBondContact O-N 3.46Å; A2777-R2779 VanDerWaalsContact O-N 3.14Å; A2777-D2821 WeakPolarHBondContact CB-OD2 3.49Å |
| 2778 | K | 60 | Low | 56 | Low | 99.5 Ų | 99.5 | 82.1 Ų | 82.1 | 43% | 0.433 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -79.5 | 110.5 | 171.9 | -123.7 | -176.3 | -179.5 | 179.8 | 0 | 110.6 | E2577 S2776 N2780 | E2577-K2778 VanDerWaalsContact CD-CE 3.47Å; E2577-K2778 VanDerWaalsContact CD-NZ 3.29Å; E2577-K2778 WeakPolarHBondContact OE1-CE 3.15Å; E2577-K2778 IonicContact OE1-NZ 2.91Å; E2577-K2778 PolarHBondContact OE1-NZ 3.28Å; E2577-K2778 WeakPolarHBondContact OE2-CE 3.37Å; E2577-K2778 IonicContact OE2-NZ 3.51Å; E2577-K2778 PolarHBondContact OE2-NZ 3.3Å; E2577-K2778 VanDerWaalsContact OE2-NZ 3.14Å; S2776-K2778 VanDerWaalsContact C-N 3.25Å; S2776-K2778 WeakPolarHBondContact CB-O 3.34Å; S2776-K2778 PolarHBondContact O-N 3.05Å; S2776-K2778 PolarHBondContact OG-O 3.11Å; K2778-N2780 PolarHBondContact O-N 2.99Å |
| 2779 | R | 55.5 | Low | 54.6 | Low | 125.5 Ų | 125.5 | 86.3 Ų | 86.3 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | trans | -86.1 | 126.9 | 173 | -136.2 | -177.2 | -173.9 | 147.9 | 0.3 | 110.2 | E2574 R2732 A2777 L2781 | E2574-R2779 PolarHBondContact OE2-N 3.5Å; E2574-R2779 VanDerWaalsContact OE2-N 3.1Å; R2732-R2779 VanDerWaalsContact NH2-CD 3.27Å; A2777-R2779 PolarHBondContact O-N 3.46Å; A2777-R2779 VanDerWaalsContact O-N 3.14Å; R2779-L2781 VanDerWaalsContact C-N 3.34Å; R2779-L2781 PolarHBondContact O-N 3.07Å; R2779-L2781 VanDerWaalsContact O-N 3.07Å | ||
| 2780 | N | 51.9 | Low | 53.2 | Low | 117.25 Ų | 117.25 | 85.5 Ų | 85.5 | 63% | 0.627 | 49% | 0.492 | S | S | * | . | trans | -66.7 | 114.2 | 166.1 | -99.7 | -16.1 | 0 | 0 | 0 | 108.9 | K2778 D2782 N2783 | K2778-N2780 PolarHBondContact O-N 2.99Å; N2780-D2782 PolarHBondContact O-N 3.07Å; N2780-D2782 VanDerWaalsContact O-N 3.09Å; N2780-N2783 PolarHBondContact O-N 3.25Å | ||
| 2781 | L | 46.1 | Very low | 51.6 | Low | 79.25 Ų | 79.25 | 89.3 Ų | 89.3 | 42% | 0.415 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.6 | -173.8 | -158.9 | 76.1 | 0 | 0 | 0 | 112.7 | I2578 R2779 N2783 L2784 | I2578-L2781 HydrophobicContact CG1-CD1 4.38Å; R2779-L2781 VanDerWaalsContact C-N 3.34Å; R2779-L2781 PolarHBondContact O-N 3.07Å; R2779-L2781 VanDerWaalsContact O-N 3.07Å; L2781-N2783 VanDerWaalsContact C-N 3.35Å; L2781-N2783 PolarHBondContact O-N 3.17Å; L2781-L2784 HydrophobicContact CD1-CD1 4.13Å; L2781-L2784 HydrophobicContact CD2-CD1 3.94Å; L2781-L2784 HydrophobicContact CG-CD1 3.6Å; L2781-L2784 HydrophobicContact CG-CG 4.28Å; L2781-L2784 WeakPolarHBondContact O-CG 3.42Å; L2781-L2784 PolarHBondContact O-N 3.43Å |
| 2782 | D | 44.5 | Very low | 50.1 | Low | 139.25 Ų | 139.25 | 95 Ų | 95 | 75% | 0.745 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -11.5 | -172.5 | -60.3 | -31.2 | 0 | 0 | 0 | 114.4 | N2780 L2784 | N2780-D2782 PolarHBondContact O-N 3.07Å; N2780-D2782 VanDerWaalsContact O-N 3.09Å; D2782-L2784 VanDerWaalsContact C-N 3.28Å; D2782-L2784 PolarHBondContact O-N 3.09Å |
| 2783 | N | 42.2 | Very low | 48.6 | Very low | 120.75 Ų | 120.75 | 97.2 Ų | 97.2 | 65% | 0.646 | 56% | 0.562 | S | S | * | * | trans | -99.5 | 28.9 | -169.2 | -70.7 | -6.2 | 0 | 0 | 0 | 115.5 | N2780 L2781 N2785 V2786 | N2780-N2783 PolarHBondContact O-N 3.25Å; L2781-N2783 VanDerWaalsContact C-N 3.35Å; L2781-N2783 PolarHBondContact O-N 3.17Å; N2783-N2785 PolarHBondContact O-N 2.82Å; N2783-N2785 VanDerWaalsContact O-N 3.13Å; N2783-V2786 PolarHBondContact O-N 2.91Å | ||
| 2784 | L | 39 | Very low | 47.6 | Very low | 97.25 Ų | 97.25 | 96.1 Ų | 96.1 | 51% | 0.509 | 56% | 0.56 | S | S | . | * | trans | -84.3 | -4.5 | -179 | -96.2 | 158.2 | 0 | 0 | 0 | 115.6 | L2773 L2781 D2782 V2786 | L2773-L2784 HydrophobicContact CD1-CD2 4.07Å; L2773-L2784 HydrophobicContact CD2-CD2 3.81Å; L2773-L2784 HydrophobicContact CD2-CG 4.49Å; L2781-L2784 HydrophobicContact CD1-CD1 4.13Å; L2781-L2784 HydrophobicContact CD2-CD1 3.94Å; L2781-L2784 HydrophobicContact CG-CD1 3.6Å; L2781-L2784 HydrophobicContact CG-CG 4.28Å; L2781-L2784 WeakPolarHBondContact O-CG 3.42Å; L2781-L2784 PolarHBondContact O-N 3.43Å; D2782-L2784 VanDerWaalsContact C-N 3.28Å; D2782-L2784 PolarHBondContact O-N 3.09Å; L2784-V2786 VanDerWaalsContact C-N 3.3Å; L2784-V2786 PolarHBondContact O-N 2.98Å | ||
| 2785 | N | 38.9 | Very low | 46.5 | Very low | 162 Ų | 162 | 103 Ų | 103 | 87% | 0.866 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -90.6 | 9.4 | -176.5 | -82.6 | -3 | 0 | 0 | 0 | 115.5 | N2783 | N2783-N2785 PolarHBondContact O-N 2.82Å; N2783-N2785 VanDerWaalsContact O-N 3.13Å |
| 2786 | V | 37.8 | Very low | 45.7 | Very low | 123.5 Ų | 123.5 | 102.7 Ų | 102.7 | 75% | 0.748 | 59% | 0.591 | S | S | * | * | trans | -115.8 | 91.9 | 176.2 | -171.5 | 0 | 0 | 0 | 0 | 108.5 | N2783 L2784 | N2783-V2786 PolarHBondContact O-N 2.91Å; L2784-V2786 VanDerWaalsContact C-N 3.3Å; L2784-V2786 PolarHBondContact O-N 2.98Å | ||
| 2787 | C | 34.8 | Very low | 45.3 | Very low | 86.75 Ų | 86.75 | 106.8 Ų | 106.8 | 59% | 0.586 | 60% | 0.604 | S | S | * | * | trans | 173.8 | 76.6 | 155 | -85.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2788 | S | 32.2 | Very low | 45.5 | Very low | 122.5 Ų | 122.5 | 106.8 Ų | 106.8 | 86% | 0.857 | 61% | 0.606 | S | S | * | * | trans | -149.6 | 68.8 | 164.7 | -10.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 2789 | S | 34.7 | Very low | 46.1 | Very low | 99.25 Ų | 99.25 | 102.6 Ų | 102.6 | 69% | 0.694 | 59% | 0.588 | S | S | * | * | trans | -143.8 | 111.6 | 165.7 | 40.8 | 0 | 0 | 0 | 0 | 108.3 | D2791 | S2789-D2791 PolarHBondContact O-N 3.26Š| ||
| 2790 | G | 35.2 | Very low | 47 | Very low | 84.5 Ų | 84.5 | 97.3 Ų | 97.3 | 87% | 0.871 | 57% | 0.568 | S | S | * | * | trans | -77.9 | 42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 2791 | D | 38.4 | Very low | 47.7 | Very low | 129.75 Ų | 129.75 | 96.7 Ų | 96.7 | 69% | 0.694 | 56% | 0.561 | S | S | * | * | trans | -93 | 133.5 | 171.4 | -78.2 | -28 | 0 | 0 | 0 | 110.4 | S2789 H2793 | S2789-D2791 PolarHBondContact O-N 3.26Å; D2791-H2793 VanDerWaalsContact C-N 3.33Å; D2791-H2793 PolarHBondContact O-CD2 3.49Å; D2791-H2793 PolarHBondContact O-N 3.13Å | ||
| 2792 | S | 42 | Very low | 48.6 | Very low | 121 Ų | 121 | 94.5 Ų | 94.5 | 85% | 0.846 | 55% | 0.55 | S | S | * | * | trans | -55.2 | 88.7 | 176 | 52 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2793 | H | 46.4 | Very low | 49.3 | Very low | 122 Ų | 122 | 96.1 Ų | 96.1 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | trans | -63.4 | 134.5 | 174.7 | -75.4 | -60.8 | 0 | 0 | 0 | 109.2 | D2791 Q2795 | D2791-H2793 VanDerWaalsContact C-N 3.33Å; D2791-H2793 PolarHBondContact O-CD2 3.49Å; D2791-H2793 PolarHBondContact O-N 3.13Å; H2793-Q2795 PolarHBondContact O-N 3.21Å | ||
| 2794 | P | 48.4 | Very low | 50.2 | Low | 51.75 Ų | 51.75 | 93.9 Ų | 93.9 | 34% | 0.336 | 55% | 0.553 | S | S | . | * | trans | -55.5 | 141.5 | 179.9 | 21.3 | -31 | 0 | 0 | 0 | 109.7 | V2796 L2838 | P2794-V2796 VanDerWaalsContact O-CG2 3.29Å; P2794-V2796 WeakPolarHBondContact O-CG2 3.29Å; P2794-V2796 PolarHBondContact O-N 3.26Å; P2794-L2838 HydrophobicContact CG-CD1 4.38Å | ||
| 2795 | Q | 52.3 | Low | 51.1 | Low | 177.25 Ų | 177.25 | 92.1 Ų | 92.1 | 83% | 0.828 | 56% | 0.558 | S | S | * | * | trans | -56.6 | 108.3 | 176.4 | -75.2 | -176.2 | -26.1 | 0 | 0 | 108.3 | H2793 E2797 | H2793-Q2795 PolarHBondContact O-N 3.21Å; Q2795-E2797 PolarHBondContact O-N 3.09Å | ||
| 2796 | V | 56.3 | Low | 52.2 | Low | 25.25 Ų | 25.25 | 88.2 Ų | 88.2 | 15% | 0.153 | 54% | 0.542 | C | S | . | . | trans | -73.4 | 11.5 | -178.4 | -158.3 | 0 | 0 | 0 | 0 | 111.2 | R2752 W2768 P2794 G2798 L2799 | R2752-V2796 PolarHBondContact NH1-O 3.08Å; R2752-V2796 PolarHBondContact NH2-O 3.13Å; W2768-V2796 VanDerWaalsContact CD1-CG1 3.41Å; W2768-V2796 HydrophobicContact CD2-CG1 4.37Å; W2768-V2796 HydrophobicContact CE3-CB 3.85Å; W2768-V2796 HydrophobicContact CE3-CG1 3.56Å; W2768-V2796 HydrophobicContact CH2-CG1 4.12Å; W2768-V2796 HydrophobicContact CZ3-CB 3.88Å; W2768-V2796 HydrophobicContact CZ3-CG1 3.45Å; W2768-V2796 WeakPolarHBondContact CZ3-O 3.22Å; W2768-V2796 VanDerWaalsContact NE1-CG1 3.3Å; P2794-V2796 VanDerWaalsContact O-CG2 3.29Å; P2794-V2796 WeakPolarHBondContact O-CG2 3.29Å; P2794-V2796 PolarHBondContact O-N 3.26Å; V2796-G2798 PolarHBondContact O-N 2.78Å; V2796-L2799 HydrophobicContact CG1-CB 4.17Å; V2796-L2799 HydrophobicContact CG1-CD1 4.45Å; V2796-L2799 HydrophobicContact CG1-CD2 4.3Å; V2796-L2799 WeakPolarHBondContact O-CB 3.48Å; V2796-L2799 PolarHBondContact O-N 3.34Å | ||
| 2797 | E | 57.4 | Low | 53.5 | Low | 143.75 Ų | 143.75 | 83 Ų | 83 | 67% | 0.672 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 127.1 | 177 | -77 | -175.3 | 168.8 | 0 | 0 | 110.6 | R2752 Q2795 | R2752-E2797 VanDerWaalsContact NH2-CA 3.35Å; R2752-E2797 VanDerWaalsContact NH2-CG 3.35Å; Q2795-E2797 PolarHBondContact O-N 3.09Å |
| 2798 | G | 62.2 | Low | 55.2 | Low | 15.75 Ų | 15.75 | 85 Ų | 85 | 16% | 0.162 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 32.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V2796 Y2800 H2801 K2837 | V2796-G2798 PolarHBondContact O-N 2.78Å; G2798-Y2800 PolarHBondContact O-N 3.22Å; G2798-H2801 VanDerWaalsContact CA-CD2 3.45Å; G2798-H2801 WeakPolarHBondContact CA-CD2 3.5Å; G2798-H2801 PolarHBondContact O-N 3.34Å; G2798-K2837 PolarHBondContact O-NZ 3.14Å |
| 2799 | L | 70.8 | Confident | 56.9 | Low | 10 Ų | 10 | 84.1 Ų | 84.1 | 5% | 0.052 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -38.9 | 175.9 | -170.5 | 73.6 | 0 | 0 | 0 | 111.7 | E2746 W2768 V2796 M2830 I2833 K2834 K2837 | E2746-L2799 PolarHBondContact OE1-N 3.28Å; E2746-L2799 PolarHBondContact OE2-N 2.8Å; W2768-L2799 HydrophobicContact CH2-CB 3.84Å; W2768-L2799 HydrophobicContact CH2-CD2 4.3Å; W2768-L2799 HydrophobicContact CZ3-CB 3.96Å; W2768-L2799 HydrophobicContact CZ3-CD2 4.32Å; V2796-L2799 HydrophobicContact CG1-CB 4.17Å; V2796-L2799 HydrophobicContact CG1-CD1 4.45Å; V2796-L2799 HydrophobicContact CG1-CD2 4.3Å; V2796-L2799 WeakPolarHBondContact O-CB 3.48Å; V2796-L2799 PolarHBondContact O-N 3.34Å; L2799-M2830 HydrophobicContact CD2-CG 3.39Å; L2799-M2830 VanDerWaalsContact CD2-CG 3.42Å; L2799-M2830 HydrophobicContact CD2-SD 4.35Å; L2799-I2833 HydrophobicContact CD1-CB 4.46Å; L2799-I2833 HydrophobicContact CD1-CG2 3.96Å; L2799-I2833 HydrophobicContact CD2-CB 4.23Å; L2799-I2833 HydrophobicContact CD2-CG2 4.19Å; L2799-I2833 HydrophobicContact CG-CB 4.33Å; L2799-I2833 HydrophobicContact CG-CG2 3.74Å; L2799-K2834 HydrophobicContact CD1-CB 4.16Å; L2799-K2834 HydrophobicContact CD2-CB 4.48Å; L2799-K2837 HydrophobicContact CD1-CD 4.05Å; L2799-K2837 WeakPolarHBondContact O-CE 3.34Å; L2799-K2837 PolarHBondContact O-NZ 2.97Å; L2799-K2837 VanDerWaalsContact O-NZ 3.13Å |
| 2800 | Y | 74.4 | Confident | 58.6 | Low | 15.25 Ų | 15.25 | 83.9 Ų | 83.9 | 6% | 0.06 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -3.2 | 177.6 | -67.2 | -80.7 | 0 | 0 | 0 | 114.4 | I2743 E2746 K2747 W2768 G2798 W2808 M2830 I2833 | I2743-Y2800 HydrophobicContact CG2-CE2 4.09Å; I2743-Y2800 WeakPolarHBondContact CG2-OH 3.28Å; E2746-Y2800 HydrophobicContact CB-CD2 3.86Å; E2746-Y2800 HydrophobicContact CB-CG 4.49Å; E2746-Y2800 HydrophobicContact CG-CD2 3.89Å; E2746-Y2800 PolarHBondContact OE1-N 3.05Å; K2747-Y2800 HydrophobicContact CD-CD1 4.47Å; K2747-Y2800 HydrophobicContact CD-CE1 4.21Å; K2747-Y2800 HydrophobicContact CG-CD1 3.73Å; K2747-Y2800 HydrophobicContact CG-CD2 4.41Å; K2747-Y2800 HydrophobicContact CG-CE1 3.87Å; K2747-Y2800 HydrophobicContact CG-CG 4.01Å; W2768-Y2800 HydrophobicContact CZ2-CE2 4.48Å; G2798-Y2800 PolarHBondContact O-N 3.22Å; Y2800-W2808 AromaticContact CD1-CH2 3.93Å; Y2800-W2808 HydrophobicContact CD1-CH2 3.93Å; Y2800-M2830 HydrophobicContact CE2-CG 4.23Å; Y2800-M2830 WeakPolarHBondContact OH-CA 3.47Å; Y2800-M2830 WeakPolarHBondContact OH-CB 3.44Å; Y2800-M2830 WeakPolarHBondContact OH-CG 3.28Å; Y2800-I2833 HydrophobicContact CD1-CD1 3.79Å; Y2800-I2833 HydrophobicContact CE1-CD1 3.22Å |
| 2801 | H | 67.7 | Low | 60.7 | Low | 104 Ų | 104 | 80.6 Ų | 80.6 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | trans | -81.7 | 122.3 | 170.1 | -70.1 | -53.7 | 0 | 0 | 0 | 109.2 | G2798 K2837 | G2798-H2801 VanDerWaalsContact CA-CD2 3.45Å; G2798-H2801 WeakPolarHBondContact CA-CD2 3.5Å; G2798-H2801 PolarHBondContact O-N 3.34Å; H2801-K2837 PolarHBondContact O-NZ 3.2Å; H2801-K2837 VanDerWaalsContact O-NZ 3.13Å | ||
| 2802 | D | 64.2 | Low | 62.6 | Low | 33.6667 Ų | 33.6667 | 79.7 Ų | 79.7 | 18% | 0.18 | 44% | 0.44 | C | S | . | . | trans | -117.6 | 92.9 | 178.3 | -176.5 | 13.8 | 0 | 0 | 0 | 109.6 | S2804 G2805 C2806 I2807 W2808 | D2802-S2804 PolarHBondContact O-N 3.25Å; D2802-S2804 WeakPolarHBondContact OD1-CA 3.48Å; D2802-S2804 WeakPolarHBondContact OD1-CB 3.36Å; D2802-S2804 PolarHBondContact OD1-N 3.19Å; D2802-S2804 PolarHBondContact OD1-OG 3.18Å; D2802-G2805 VanDerWaalsContact CG-N 3.26Å; D2802-G2805 PolarHBondContact OD1-N 3.1Å; D2802-G2805 VanDerWaalsContact OD2-C 3.23Å; D2802-G2805 WeakPolarHBondContact OD2-CA 3.46Å; D2802-G2805 PolarHBondContact OD2-N 2.98Å; D2802-C2806 PolarHBondContact OD2-N 3.34Å; D2802-I2807 HydrophobicContact CB-CB 4.35Å; D2802-I2807 HydrophobicContact CB-CD1 4.03Å; D2802-I2807 HydrophobicContact CB-CG1 4.47Å; D2802-I2807 WeakPolarHBondContact OD1-CD1 3.37Å; D2802-I2807 WeakPolarHBondContact OD2-CB 3.44Å; D2802-I2807 PolarHBondContact OD2-N 3.25Å; D2802-W2808 VanDerWaalsContact OD2-CD1 3.29Å | ||
| 2803 | D | 59.6 | Low | 64.3 | Low | 172 Ų | 172 | 77.7 Ų | 77.7 | 92% | 0.92 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -74 | -16.8 | 171.8 | -66.9 | -26.3 | 0 | 0 | 0 | 111.9 | ||
| 2804 | S | 60.6 | Low | 65.7 | Low | 74.6667 Ų | 74.6667 | 73.8 Ų | 73.8 | 52% | 0.522 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -90.3 | -24 | -173.3 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | D2802 C2806 | D2802-S2804 PolarHBondContact O-N 3.25Å; D2802-S2804 WeakPolarHBondContact OD1-CA 3.48Å; D2802-S2804 WeakPolarHBondContact OD1-CB 3.36Å; D2802-S2804 PolarHBondContact OD1-N 3.19Å; D2802-S2804 PolarHBondContact OD1-OG 3.18Å; S2804-C2806 PolarHBondContact O-N 2.96Å; S2804-C2806 PolarHBondContact OG-N 3.17Å |
| 2805 | G | 58.9 | Low | 66.8 | Low | 60.3333 Ų | 60.3333 | 78.2 Ų | 78.2 | 62% | 0.622 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 71.5 | 0.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D2802 | D2802-G2805 VanDerWaalsContact CG-N 3.26Å; D2802-G2805 PolarHBondContact OD1-N 3.1Å; D2802-G2805 VanDerWaalsContact OD2-C 3.23Å; D2802-G2805 WeakPolarHBondContact OD2-CA 3.46Å; D2802-G2805 PolarHBondContact OD2-N 2.98Å |
| 2806 | C | 61.2 | Low | 67.9 | Low | 79.6667 Ų | 79.6667 | 72.6 Ų | 72.6 | 54% | 0.538 | 41% | 0.407 | S | S | . | . | trans | -99.4 | -22.5 | -174.5 | -66.7 | 0 | 0 | 0 | 0 | 113.6 | D2802 S2804 W2808 S2809 | D2802-C2806 PolarHBondContact OD2-N 3.34Å; S2804-C2806 PolarHBondContact O-N 2.96Å; S2804-C2806 PolarHBondContact OG-N 3.17Å; C2806-W2808 VanDerWaalsContact C-N 3.28Å; C2806-W2808 PolarHBondContact O-N 3.13Å; C2806-S2809 PolarHBondContact O-N 3.12Å; C2806-S2809 VanDerWaalsContact O-N 3.11Å; C2806-S2809 PolarHBondContact O-OG 3.07Å | ||
| 2807 | I | 66 | Low | 68.4 | Low | 14.3333 Ų | 14.3333 | 72.6 Ų | 72.6 | 7% | 0.074 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | -171.7 | -65.2 | 173.4 | 0 | 0 | 0 | 110.1 | D2802 S2809 E2810 V2811 I2833 K2837 | D2802-I2807 HydrophobicContact CB-CB 4.35Å; D2802-I2807 HydrophobicContact CB-CD1 4.03Å; D2802-I2807 HydrophobicContact CB-CG1 4.47Å; D2802-I2807 WeakPolarHBondContact OD1-CD1 3.37Å; D2802-I2807 WeakPolarHBondContact OD2-CB 3.44Å; D2802-I2807 PolarHBondContact OD2-N 3.25Å; I2807-S2809 VanDerWaalsContact C-N 3.26Å; I2807-S2809 PolarHBondContact O-N 3.16Å; I2807-S2809 VanDerWaalsContact O-N 3.13Å; I2807-E2810 PolarHBondContact O-N 3.39Å; I2807-E2810 VanDerWaalsContact O-N 3.15Å; I2807-V2811 HydrophobicContact CG2-CG2 3.7Å; I2807-V2811 VanDerWaalsContact O-CG2 3.28Å; I2807-V2811 WeakPolarHBondContact O-CG2 3.38Å; I2807-V2811 PolarHBondContact O-N 3.05Å; I2807-V2811 VanDerWaalsContact O-N 3.13Å; I2807-I2833 HydrophobicContact CG2-CG2 4.39Å; I2807-K2837 HydrophobicContact CD1-CD 4.48Å; I2807-K2837 VanDerWaalsContact CD1-CE 3.44Å; I2807-K2837 HydrophobicContact CD1-CG 4.4Å |
| 2808 | W | 69.8 | Low | 68.6 | Low | 129 Ų | 129 | 69.9 Ų | 69.9 | 49% | 0.489 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.1 | -13.9 | -175.4 | -60.4 | 104.3 | 0 | 0 | 0 | 115 | Y2800 D2802 C2806 V2811 | Y2800-W2808 AromaticContact CD1-CH2 3.93Å; Y2800-W2808 HydrophobicContact CD1-CH2 3.93Å; D2802-W2808 VanDerWaalsContact OD2-CD1 3.29Å; C2806-W2808 VanDerWaalsContact C-N 3.28Å; C2806-W2808 PolarHBondContact O-N 3.13Å; W2808-V2811 HydrophobicContact CE3-CB 4.33Å; W2808-V2811 HydrophobicContact CE3-CG1 4.37Å; W2808-V2811 HydrophobicContact CE3-CG2 4.41Å; W2808-V2811 HydrophobicContact CZ3-CG1 4.34Å |
| 2809 | S | 68.5 | Low | 68.4 | Low | 102 Ų | 102 | 70.1 Ų | 70.1 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -76 | -26.1 | 173 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | C2806 I2807 | C2806-S2809 PolarHBondContact O-N 3.12Å; C2806-S2809 VanDerWaalsContact O-N 3.11Å; C2806-S2809 PolarHBondContact O-OG 3.07Å; I2807-S2809 VanDerWaalsContact C-N 3.26Å; I2807-S2809 PolarHBondContact O-N 3.16Å; I2807-S2809 VanDerWaalsContact O-N 3.13Å |
| 2810 | E | 71 | Confident | 67.8 | Low | 96.6667 Ų | 96.6667 | 69.9 Ų | 69.9 | 45% | 0.452 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -99.7 | -24.6 | 179.8 | -61.9 | -172.6 | -175.1 | 0 | 0 | 112.8 | I2807 K2812 H2832 I2836 | I2807-E2810 PolarHBondContact O-N 3.39Å; I2807-E2810 VanDerWaalsContact O-N 3.15Å; E2810-K2812 PolarHBondContact O-N 3.18Å; E2810-K2812 VanDerWaalsContact O-N 3.16Å; E2810-H2832 PolarHBondContact O-CE1 3.05Å; E2810-I2836 HydrophobicContact CB-CD1 3.96Å |
| 2811 | V | 78.5 | Confident | 67.7 | Low | 14.3333 Ų | 14.3333 | 69.6 Ų | 69.6 | 9% | 0.087 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -65.3 | 118.7 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | I2807 W2808 Q2829 I2833 I2836 | I2807-V2811 HydrophobicContact CG2-CG2 3.7Å; I2807-V2811 VanDerWaalsContact O-CG2 3.28Å; I2807-V2811 WeakPolarHBondContact O-CG2 3.38Å; I2807-V2811 PolarHBondContact O-N 3.05Å; I2807-V2811 VanDerWaalsContact O-N 3.13Å; W2808-V2811 HydrophobicContact CE3-CB 4.33Å; W2808-V2811 HydrophobicContact CE3-CG1 4.37Å; W2808-V2811 HydrophobicContact CE3-CG2 4.41Å; W2808-V2811 HydrophobicContact CZ3-CG1 4.34Å; V2811-Q2829 HydrophobicContact CG1-CG 4.02Å; V2811-I2833 HydrophobicContact CB-CG1 4.5Å; V2811-I2833 HydrophobicContact CG1-CD1 4.22Å; V2811-I2833 HydrophobicContact CG1-CG1 4.01Å; V2811-I2833 HydrophobicContact CG2-CD1 4.38Å; V2811-I2833 HydrophobicContact CG2-CG1 3.62Å; V2811-I2836 HydrophobicContact CG2-CD1 3.81Å |
| 2812 | K | 77.9 | Confident | 68 | Low | 110.333 Ų | 110.333 | 67.3 Ų | 67.3 | 48% | 0.48 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 137.2 | 173.6 | -67.8 | 176.1 | -174 | 172.1 | 0 | 110.2 | E2810 A2816 F2817 Q2829 H2832 | E2810-K2812 PolarHBondContact O-N 3.18Å; E2810-K2812 VanDerWaalsContact O-N 3.16Å; K2812-A2816 HydrophobicContact CB-CB 4.17Å; K2812-F2817 HydrophobicContact CB-CE2 3.72Å; K2812-F2817 HydrophobicContact CB-CZ 3.82Å; K2812-F2817 HydrophobicContact CD-CZ 4.41Å; K2812-F2817 WeakPolarHBondContact O-CE2 3.42Å; K2812-Q2829 PolarHBondContact O-NE2 3.13Å; K2812-H2832 WeakPolarHBondContact CE-NE2 3.36Å |
| 2813 | P | 78.8 | Confident | 68.7 | Low | 79.6667 Ų | 79.6667 | 65.7 Ų | 65.7 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 155.6 | 174.7 | 31.3 | -36.5 | 0 | 0 | 0 | 109.8 | E2815 A2816 F2817 | P2813-E2815 WeakPolarHBondContact CB-OE2 3.25Å; P2813-E2815 PolarHBondContact O-N 3.22Å; P2813-A2816 HydrophobicContact CG-CB 4.24Å; P2813-A2816 VanDerWaalsContact O-CB 3.28Å; P2813-A2816 WeakPolarHBondContact O-CB 3.35Å; P2813-A2816 PolarHBondContact O-N 3.13Å; P2813-F2817 WeakPolarHBondContact O-CD2 3.31Å |
| 2814 | I | 74.2 | Confident | 69.7 | Low | 39.6667 Ų | 39.6667 | 59.8 Ų | 59.8 | 20% | 0.203 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -62.8 | -30.9 | -171.4 | -134.7 | 162.7 | 0 | 0 | 0 | 111.9 | A2816 F2817 A2825 F2826 | I2814-A2816 PolarHBondContact O-N 3.31Å; I2814-F2817 PolarHBondContact O-N 3.16Å; I2814-F2817 VanDerWaalsContact O-N 3.07Å; I2814-A2825 HydrophobicContact CD1-CB 4.25Å; I2814-A2825 HydrophobicContact CG1-CB 3.83Å; I2814-A2825 HydrophobicContact CG2-CB 4.01Å; I2814-F2826 HydrophobicContact CD1-CB 4.5Å; I2814-F2826 HydrophobicContact CD1-CD1 4Å; I2814-F2826 HydrophobicContact CD1-CD2 3.67Å; I2814-F2826 HydrophobicContact CD1-CE1 3.8Å; I2814-F2826 HydrophobicContact CD1-CE2 3.45Å; I2814-F2826 HydrophobicContact CD1-CG 3.64Å; I2814-F2826 HydrophobicContact CD1-CZ 3.51Å; I2814-F2826 HydrophobicContact CG2-CE2 4.4Å |
| 2815 | E | 72.6 | Confident | 70.7 | Confident | 144 Ų | 144 | 56.4 Ų | 56.4 | 67% | 0.673 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -65 | -20.3 | 177.9 | -58.1 | 80.4 | -177.1 | 0 | 0 | 113 | P2813 F2817 | P2813-E2815 WeakPolarHBondContact CB-OE2 3.25Å; P2813-E2815 PolarHBondContact O-N 3.22Å; E2815-F2817 VanDerWaalsContact C-N 3.29Å |
| 2816 | A | 74.3 | Confident | 71.9 | Confident | 59.6667 Ų | 59.6667 | 55.5 Ų | 55.5 | 49% | 0.493 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -74.1 | -22.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K2812 P2813 I2814 A2818 | K2812-A2816 HydrophobicContact CB-CB 4.17Å; P2813-A2816 HydrophobicContact CG-CB 4.24Å; P2813-A2816 VanDerWaalsContact O-CB 3.28Å; P2813-A2816 WeakPolarHBondContact O-CB 3.35Å; P2813-A2816 PolarHBondContact O-N 3.13Å; I2814-A2816 PolarHBondContact O-N 3.31Å; A2816-A2818 VanDerWaalsContact C-N 3.31Å; A2816-A2818 PolarHBondContact O-N 3.22Å; A2816-A2818 VanDerWaalsContact O-N 3.16Å |
| 2817 | F | 68.8 | Low | 73.1 | Confident | 26.6667 Ų | 26.6667 | 51.7 Ų | 51.7 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -87.6 | 75.2 | 175 | -56.9 | -88.1 | 0 | 0 | 0 | 108.5 | K2812 P2813 I2814 E2815 S2819 A2825 E2828 Q2829 H2832 | K2812-F2817 HydrophobicContact CB-CE2 3.72Å; K2812-F2817 HydrophobicContact CB-CZ 3.82Å; K2812-F2817 HydrophobicContact CD-CZ 4.41Å; K2812-F2817 WeakPolarHBondContact O-CE2 3.42Å; P2813-F2817 WeakPolarHBondContact O-CD2 3.31Å; I2814-F2817 PolarHBondContact O-N 3.16Å; I2814-F2817 VanDerWaalsContact O-N 3.07Å; E2815-F2817 VanDerWaalsContact C-N 3.29Å; F2817-S2819 PolarHBondContact O-N 2.96Å; F2817-S2819 PolarHBondContact O-OG 3.4Å; F2817-A2825 HydrophobicContact CB-CB 3.98Å; F2817-E2828 HydrophobicContact CD1-CB 3.62Å; F2817-E2828 WeakPolarHBondContact CD1-OE2 3.26Å; F2817-E2828 HydrophobicContact CE1-CB 3.94Å; F2817-E2828 HydrophobicContact CG-CB 4.38Å; F2817-Q2829 HydrophobicContact CD2-CB 4.37Å; F2817-Q2829 HydrophobicContact CE2-CB 3.82Å; F2817-Q2829 HydrophobicContact CE2-CG 4.02Å; F2817-Q2829 HydrophobicContact CZ-CB 4.08Å; F2817-Q2829 HydrophobicContact CZ-CG 4.38Å; F2817-H2832 HydrophobicContact CE1-CB 4.46Å; F2817-H2832 HydrophobicContact CZ-CB 4.15Å |
| 2818 | A | 60.3 | Low | 74 | Confident | 86.3333 Ų | 86.3333 | 53.5 Ų | 53.5 | 71% | 0.713 | 29% | 0.293 | S | S | * | . | trans | -68.9 | 42.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A2816 | A2816-A2818 VanDerWaalsContact C-N 3.31Å; A2816-A2818 PolarHBondContact O-N 3.22Å; A2816-A2818 VanDerWaalsContact O-N 3.16Å | ||
| 2819 | S | 58.8 | Low | 74.8 | Confident | 19.3333 Ų | 19.3333 | 47.8 Ų | 47.8 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | trans | -84.8 | 97.4 | 173.5 | 59.6 | 0 | 0 | 0 | 0 | 110.5 | F2817 D2821 Q2824 A2825 | F2817-S2819 PolarHBondContact O-N 2.96Å; F2817-S2819 PolarHBondContact O-OG 3.4Å; S2819-D2821 PolarHBondContact O-N 3Å; S2819-D2821 VanDerWaalsContact O-N 3.07Å; S2819-D2821 PolarHBondContact OG-O 3.19Å; S2819-D2821 VanDerWaalsContact OG-O 3.13Å; S2819-Q2824 VanDerWaalsContact CB-CD 3.41Å; S2819-Q2824 WeakPolarHBondContact OG-CB 3.3Å; S2819-A2825 PolarHBondContact OG-N 3.19Å | ||
| 2820 | G | 57.8 | Low | 75.6 | Confident | 5.66667 Ų | 5.66667 | 43.1 Ų | 43.1 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -31.5 | -18.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E2611 S2614 V2615 | E2611-G2820 WeakPolarHBondContact O-CA 3.5Å; E2611-G2820 PolarHBondContact O-N 3.09Å; S2614-G2820 VanDerWaalsContact C-CA 3.41Å; S2614-G2820 CarbonylContact C-O 3.57Å; S2614-G2820 VanDerWaalsContact CB-C 3.43Å; S2614-G2820 WeakPolarHBondContact CB-O 3.45Å; S2614-G2820 VanDerWaalsContact O-O 3.13Å; S2614-G2820 VanDerWaalsContact OG-CA 3.27Å; S2614-G2820 WeakPolarHBondContact OG-CA 3.43Å; S2614-G2820 PolarHBondContact OG-O 2.98Å; V2615-G2820 VanDerWaalsContact CA-CA 3.5Å |
| 2821 | D | 71.2 | Confident | 76.2 | Confident | 8.66667 Ų | 8.66667 | 39.8 Ų | 39.8 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | trans | -92.1 | 112.8 | 176.4 | -169.7 | -19.3 | 0 | 0 | 0 | 111.8 | S2567 R2736 A2777 S2819 A2823 Q2824 A2825 | S2567-D2821 WeakPolarHBondContact CB-OD1 3.3Å; S2567-D2821 VanDerWaalsContact CB-OD2 3.24Å; S2567-D2821 WeakPolarHBondContact CB-OD2 3.44Å; S2567-D2821 PolarHBondContact OG-OD1 2.96Å; R2736-D2821 IonicContact CZ-OD1 2.74Å; R2736-D2821 IonicContact CZ-OD2 3.1Å; R2736-D2821 IonicContact NH1-OD1 3.29Å; R2736-D2821 IonicContact NH1-OD2 2.92Å; R2736-D2821 PolarHBondContact NH1-OD2 3.18Å; R2736-D2821 IonicContact NH2-OD1 3.37Å; R2736-D2821 PolarHBondContact NH2-OD1 2.88Å; R2736-D2821 IonicContact NH2-OD2 3.69Å; R2736-D2821 PolarHBondContact NH2-OD2 3.05Å; A2777-D2821 WeakPolarHBondContact CB-OD2 3.49Å; S2819-D2821 PolarHBondContact O-N 3Å; S2819-D2821 VanDerWaalsContact O-N 3.07Å; S2819-D2821 PolarHBondContact OG-O 3.19Å; S2819-D2821 VanDerWaalsContact OG-O 3.13Å; D2821-A2823 VanDerWaalsContact C-N 3.28Å; D2821-A2823 PolarHBondContact O-N 3.12Å; D2821-A2823 WeakPolarHBondContact OD1-CB 3.33Å; D2821-A2823 PolarHBondContact OD1-N 2.98Å; D2821-Q2824 HydrophobicContact CB-CB 3.91Å; D2821-Q2824 VanDerWaalsContact O-CB 3.32Å; D2821-Q2824 WeakPolarHBondContact O-CB 3.3Å; D2821-Q2824 PolarHBondContact O-N 2.98Å; D2821-Q2824 VanDerWaalsContact O-N 3.11Å; D2821-A2825 PolarHBondContact O-N 2.98Å; D2821-A2825 VanDerWaalsContact O-N 3.1Å | ||
| 2822 | I | 74 | Confident | 76.4 | Confident | 56.6667 Ų | 56.6667 | 41.2 Ų | 41.2 | 29% | 0.291 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -55.8 | -42.6 | 178.6 | -60.9 | 170.9 | 0 | 0 | 0 | 111.1 | Q2824 A2825 F2826 | I2822-Q2824 VanDerWaalsContact C-N 3.27Å; I2822-Q2824 PolarHBondContact O-N 3.13Å; I2822-A2825 PolarHBondContact O-N 3.26Å; I2822-F2826 HydrophobicContact CG2-CD2 3.64Å; I2822-F2826 HydrophobicContact CG2-CE2 3.59Å; I2822-F2826 VanDerWaalsContact O-CD2 3.3Å; I2822-F2826 WeakPolarHBondContact O-CD2 3.34Å; I2822-F2826 PolarHBondContact O-N 3.07Å; I2822-F2826 VanDerWaalsContact O-N 3.16Å |
| 2823 | A | 79.1 | Confident | 76.6 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.1 | -37.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R2736 L2740 D2821 I2827 | R2736-A2823 HydrophobicContact CG-CB 4.32Å; L2740-A2823 HydrophobicContact CD2-CB 4.04Å; D2821-A2823 VanDerWaalsContact C-N 3.28Å; D2821-A2823 PolarHBondContact O-N 3.12Å; D2821-A2823 WeakPolarHBondContact OD1-CB 3.33Å; D2821-A2823 PolarHBondContact OD1-N 2.98Å; A2823-I2827 WeakPolarHBondContact O-CB 3.32Å; A2823-I2827 WeakPolarHBondContact O-CD1 3.46Å; A2823-I2827 WeakPolarHBondContact O-CG1 3.31Å; A2823-I2827 PolarHBondContact O-N 2.98Å; A2823-I2827 VanDerWaalsContact O-N 3.11Å |
| 2824 | Q | 81.2 | Confident | 76.7 | Confident | 47 Ų | 47 | 33.7 Ų | 33.7 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -50.1 | 175.7 | -177.8 | 170.8 | -16.1 | 0 | 0 | 111 | R2736 V2775 S2819 D2821 I2822 F2826 I2827 E2828 | R2736-Q2824 VanDerWaalsContact NH2-N 3.18Å; V2775-Q2824 HydrophobicContact CG1-CG 3.97Å; V2775-Q2824 WeakPolarHBondContact O-CB 3.3Å; V2775-Q2824 WeakPolarHBondContact O-CG 3.32Å; S2819-Q2824 VanDerWaalsContact CB-CD 3.41Å; S2819-Q2824 WeakPolarHBondContact OG-CB 3.3Å; D2821-Q2824 HydrophobicContact CB-CB 3.91Å; D2821-Q2824 VanDerWaalsContact O-CB 3.32Å; D2821-Q2824 WeakPolarHBondContact O-CB 3.3Å; D2821-Q2824 PolarHBondContact O-N 2.98Å; D2821-Q2824 VanDerWaalsContact O-N 3.11Å; I2822-Q2824 VanDerWaalsContact C-N 3.27Å; I2822-Q2824 PolarHBondContact O-N 3.13Å; Q2824-F2826 VanDerWaalsContact C-N 3.32Å; Q2824-F2826 PolarHBondContact O-N 3.29Å; Q2824-I2827 PolarHBondContact O-N 2.98Å; Q2824-I2827 VanDerWaalsContact O-N 3.1Å; Q2824-E2828 HydrophobicContact CG-CG 4.12Å; Q2824-E2828 VanDerWaalsContact CG-OE1 3.28Å; Q2824-E2828 WeakPolarHBondContact CG-OE1 3.37Å; Q2824-E2828 PolarHBondContact NE2-OE1 2.87Å; Q2824-E2828 WeakPolarHBondContact O-CB 3.42Å; Q2824-E2828 WeakPolarHBondContact O-CG 3.24Å; Q2824-E2828 PolarHBondContact O-N 3.23Å |
| 2825 | A | 81.5 | Confident | 77 | Confident | 4.33333 Ų | 4.33333 | 35.3 Ų | 35.3 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I2814 F2817 S2819 D2821 I2822 Q2829 | I2814-A2825 HydrophobicContact CD1-CB 4.25Å; I2814-A2825 HydrophobicContact CG1-CB 3.83Å; I2814-A2825 HydrophobicContact CG2-CB 4.01Å; F2817-A2825 HydrophobicContact CB-CB 3.98Å; S2819-A2825 PolarHBondContact OG-N 3.19Å; D2821-A2825 PolarHBondContact O-N 2.98Å; D2821-A2825 VanDerWaalsContact O-N 3.1Å; I2822-A2825 PolarHBondContact O-N 3.26Å; A2825-Q2829 WeakPolarHBondContact O-CB 3.29Å; A2825-Q2829 PolarHBondContact O-N 3.16Å |
| 2826 | F | 85.1 | Confident | 77.2 | Confident | 40.3333 Ų | 40.3333 | 29 Ų | 29 | 18% | 0.177 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 177.3 | -86.1 | -92 | 0 | 0 | 0 | 112.7 | L2740 I2743 K2747 I2814 I2822 Q2824 Q2829 M2830 | L2740-F2826 HydrophobicContact CD1-CB 3.55Å; L2740-F2826 HydrophobicContact CD1-CD1 4.26Å; L2740-F2826 HydrophobicContact CD1-CD2 3.89Å; L2740-F2826 HydrophobicContact CD1-CG 3.66Å; I2743-F2826 HydrophobicContact CD1-CB 4.44Å; I2743-F2826 HydrophobicContact CG2-CB 4.41Å; I2743-F2826 HydrophobicContact CG2-CD1 3.84Å; K2747-F2826 HydrophobicContact CD-CD1 4.37Å; K2747-F2826 HydrophobicContact CD-CE1 4.07Å; K2747-F2826 VanDerWaalsContact NZ-CD1 3.32Å; K2747-F2826 VanDerWaalsContact NZ-CE1 3.29Å; I2814-F2826 HydrophobicContact CD1-CB 4.5Å; I2814-F2826 HydrophobicContact CD1-CD1 4Å; I2814-F2826 HydrophobicContact CD1-CD2 3.67Å; I2814-F2826 HydrophobicContact CD1-CE1 3.8Å; I2814-F2826 HydrophobicContact CD1-CE2 3.45Å; I2814-F2826 HydrophobicContact CD1-CG 3.64Å; I2814-F2826 HydrophobicContact CD1-CZ 3.51Å; I2814-F2826 HydrophobicContact CG2-CE2 4.4Å; I2822-F2826 HydrophobicContact CG2-CD2 3.64Å; I2822-F2826 HydrophobicContact CG2-CE2 3.59Å; I2822-F2826 VanDerWaalsContact O-CD2 3.3Å; I2822-F2826 WeakPolarHBondContact O-CD2 3.34Å; I2822-F2826 PolarHBondContact O-N 3.07Å; I2822-F2826 VanDerWaalsContact O-N 3.16Å; Q2824-F2826 VanDerWaalsContact C-N 3.32Å; Q2824-F2826 PolarHBondContact O-N 3.29Å; F2826-Q2829 PolarHBondContact O-N 3.1Å; F2826-M2830 PolarHBondContact O-N 3.05Å |
| 2827 | I | 85 | Confident | 77.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.2 | -41.4 | 178.6 | -64.7 | 166.8 | 0 | 0 | 0 | 110.6 | R2736 L2739 I2743 P2771 Y2774 V2775 A2823 Q2824 Q2829 M2830 I2831 | R2736-I2827 HydrophobicContact CG-CD1 3.79Å; L2739-I2827 HydrophobicContact CD2-CD1 3.94Å; L2739-I2827 HydrophobicContact CD2-CG1 3.91Å; L2739-I2827 HydrophobicContact CD2-CG2 4.27Å; L2739-I2827 HydrophobicContact CG-CD1 4.47Å; L2739-I2827 HydrophobicContact CG-CG1 4.31Å; I2743-I2827 HydrophobicContact CD1-CG1 4.02Å; P2771-I2827 HydrophobicContact CB-CG2 4.06Å; P2771-I2827 WeakPolarHBondContact O-CG2 3.34Å; Y2774-I2827 VanDerWaalsContact O-CD1 3.29Å; Y2774-I2827 WeakPolarHBondContact O-CD1 3.4Å; V2775-I2827 HydrophobicContact CB-CG2 4.47Å; V2775-I2827 HydrophobicContact CG2-CG2 3.77Å; A2823-I2827 WeakPolarHBondContact O-CB 3.32Å; A2823-I2827 WeakPolarHBondContact O-CD1 3.46Å; A2823-I2827 WeakPolarHBondContact O-CG1 3.31Å; A2823-I2827 PolarHBondContact O-N 2.98Å; A2823-I2827 VanDerWaalsContact O-N 3.11Å; Q2824-I2827 PolarHBondContact O-N 2.98Å; Q2824-I2827 VanDerWaalsContact O-N 3.1Å; I2827-Q2829 VanDerWaalsContact C-N 3.33Å; I2827-Q2829 PolarHBondContact O-N 3.1Å; I2827-M2830 WeakPolarHBondContact O-CB 3.43Å; I2827-M2830 PolarHBondContact O-N 3.07Å; I2827-M2830 VanDerWaalsContact O-N 3.14Å; I2827-I2831 HydrophobicContact CG2-CD1 4.14Å; I2827-I2831 WeakPolarHBondContact O-CG1 3.31Å; I2827-I2831 PolarHBondContact O-N 3.04Å |
| 2828 | E | 86.5 | Confident | 77.6 | Confident | 51.6667 Ų | 51.6667 | 30.7 Ų | 30.7 | 24% | 0.241 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 174.5 | -73 | 178.7 | 176.5 | 0 | 0 | 111.6 | V2775 F2817 Q2824 M2830 I2831 H2832 | V2775-E2828 HydrophobicContact CG1-CG 3.69Å; F2817-E2828 HydrophobicContact CD1-CB 3.62Å; F2817-E2828 WeakPolarHBondContact CD1-OE2 3.26Å; F2817-E2828 HydrophobicContact CE1-CB 3.94Å; F2817-E2828 HydrophobicContact CG-CB 4.38Å; Q2824-E2828 HydrophobicContact CG-CG 4.12Å; Q2824-E2828 VanDerWaalsContact CG-OE1 3.28Å; Q2824-E2828 WeakPolarHBondContact CG-OE1 3.37Å; Q2824-E2828 PolarHBondContact NE2-OE1 2.87Å; Q2824-E2828 WeakPolarHBondContact O-CB 3.42Å; Q2824-E2828 WeakPolarHBondContact O-CG 3.24Å; Q2824-E2828 PolarHBondContact O-N 3.23Å; E2828-M2830 VanDerWaalsContact C-N 3.32Å; E2828-M2830 PolarHBondContact O-N 3.2Å; E2828-I2831 PolarHBondContact O-N 3.05Å; E2828-H2832 WeakPolarHBondContact O-CB 3.42Å; E2828-H2832 PolarHBondContact O-N 3.16Å |
| 2829 | Q | 86.3 | Confident | 78.2 | Confident | 10.3333 Ų | 10.3333 | 30.8 Ų | 30.8 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 173.2 | -170.9 | -177.2 | 55.1 | 0 | 0 | 111.5 | V2811 K2812 F2817 A2825 F2826 I2827 I2831 H2832 I2833 | V2811-Q2829 HydrophobicContact CG1-CG 4.02Å; K2812-Q2829 PolarHBondContact O-NE2 3.13Å; F2817-Q2829 HydrophobicContact CD2-CB 4.37Å; F2817-Q2829 HydrophobicContact CE2-CB 3.82Å; F2817-Q2829 HydrophobicContact CE2-CG 4.02Å; F2817-Q2829 HydrophobicContact CZ-CB 4.08Å; F2817-Q2829 HydrophobicContact CZ-CG 4.38Å; A2825-Q2829 WeakPolarHBondContact O-CB 3.29Å; A2825-Q2829 PolarHBondContact O-N 3.16Å; F2826-Q2829 PolarHBondContact O-N 3.1Å; I2827-Q2829 VanDerWaalsContact C-N 3.33Å; I2827-Q2829 PolarHBondContact O-N 3.1Å; Q2829-I2831 VanDerWaalsContact C-N 3.34Å; Q2829-I2831 PolarHBondContact O-N 3.22Å; Q2829-H2832 WeakPolarHBondContact O-CB 3.35Å; Q2829-H2832 PolarHBondContact O-N 3.2Å; Q2829-I2833 HydrophobicContact CG-CD1 4.12Å; Q2829-I2833 VanDerWaalsContact O-CG1 3.28Å; Q2829-I2833 WeakPolarHBondContact O-CG1 3.42Å; Q2829-I2833 PolarHBondContact O-N 3.01Å |
| 2830 | M | 84.1 | Confident | 78.8 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.6 | -166 | -179.1 | 75.4 | 0 | 0 | 111.7 | L2739 I2743 W2768 P2771 L2799 Y2800 F2826 I2827 E2828 H2832 I2833 K2834 | L2739-M2830 HydrophobicContact CD1-CE 4.08Å; L2739-M2830 HydrophobicContact CD1-SD 4.39Å; L2739-M2830 HydrophobicContact CD2-CE 4.43Å; I2743-M2830 HydrophobicContact CD1-CB 4.16Å; I2743-M2830 HydrophobicContact CD1-CE 4.38Å; I2743-M2830 HydrophobicContact CD1-CG 4.45Å; I2743-M2830 HydrophobicContact CD1-SD 3.72Å; I2743-M2830 HydrophobicContact CG1-CG 4.44Å; I2743-M2830 HydrophobicContact CG1-SD 3.55Å; I2743-M2830 VanDerWaalsContact CG1-SD 3.55Å; W2768-M2830 HydrophobicContact CD2-SD 4.4Å; W2768-M2830 HydrophobicContact CE3-SD 4.2Å; W2768-M2830 HydrophobicContact CH2-SD 3.95Å; W2768-M2830 HydrophobicContact CZ2-SD 4.08Å; W2768-M2830 HydrophobicContact CZ3-SD 4.07Å; P2771-M2830 HydrophobicContact CB-CE 3.12Å; P2771-M2830 HydrophobicContact CG-CE 3.46Å; P2771-M2830 VanDerWaalsContact CG-CE 3.42Å; L2799-M2830 HydrophobicContact CD2-CG 3.39Å; L2799-M2830 VanDerWaalsContact CD2-CG 3.42Å; L2799-M2830 HydrophobicContact CD2-SD 4.35Å; Y2800-M2830 HydrophobicContact CE2-CG 4.23Å; Y2800-M2830 WeakPolarHBondContact OH-CA 3.47Å; Y2800-M2830 WeakPolarHBondContact OH-CB 3.44Å; Y2800-M2830 WeakPolarHBondContact OH-CG 3.28Å; F2826-M2830 PolarHBondContact O-N 3.05Å; I2827-M2830 WeakPolarHBondContact O-CB 3.43Å; I2827-M2830 PolarHBondContact O-N 3.07Å; I2827-M2830 VanDerWaalsContact O-N 3.14Å; E2828-M2830 VanDerWaalsContact C-N 3.32Å; E2828-M2830 PolarHBondContact O-N 3.2Å; M2830-H2832 VanDerWaalsContact C-N 3.31Å; M2830-H2832 PolarHBondContact O-N 3.06Å; M2830-I2833 PolarHBondContact O-N 3.23Å; M2830-K2834 WeakPolarHBondContact O-CB 3.3Å; M2830-K2834 PolarHBondContact O-N 3.1Å |
| 2831 | I | 83.8 | Confident | 79.4 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 14% | 0.144 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 175 | -67.1 | 164.5 | 0 | 0 | 0 | 110.5 | P2771 E2772 V2775 I2827 E2828 Q2829 I2833 K2834 N2835 | P2771-I2831 HydrophobicContact CB-CD1 4.45Å; P2771-I2831 HydrophobicContact CB-CG1 4.17Å; P2771-I2831 HydrophobicContact CG-CD1 4.48Å; P2771-I2831 HydrophobicContact CG-CG1 3.85Å; E2772-I2831 HydrophobicContact CG-CD1 4.14Å; E2772-I2831 HydrophobicContact CG-CG1 4.47Å; V2775-I2831 HydrophobicContact CG2-CD1 3.29Å; I2827-I2831 HydrophobicContact CG2-CD1 4.14Å; I2827-I2831 WeakPolarHBondContact O-CG1 3.31Å; I2827-I2831 PolarHBondContact O-N 3.04Å; E2828-I2831 PolarHBondContact O-N 3.05Å; Q2829-I2831 VanDerWaalsContact C-N 3.34Å; Q2829-I2831 PolarHBondContact O-N 3.22Å; I2831-I2833 PolarHBondContact O-N 3.26Å; I2831-K2834 PolarHBondContact O-N 2.98Å; I2831-N2835 WeakPolarHBondContact O-CB 3.26Å; I2831-N2835 VanDerWaalsContact O-CG 3.25Å; I2831-N2835 PolarHBondContact O-N 3.12Å; I2831-N2835 PolarHBondContact O-ND2 3.26Å |
| 2832 | H | 83.5 | Confident | 79.5 | Confident | 42 Ų | 42 | 39.7 Ų | 39.7 | 19% | 0.194 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.3 | -170.1 | -83.9 | 0 | 0 | 0 | 112 | E2810 K2812 F2817 E2828 Q2829 M2830 N2835 I2836 | E2810-H2832 PolarHBondContact O-CE1 3.05Å; K2812-H2832 WeakPolarHBondContact CE-NE2 3.36Å; F2817-H2832 HydrophobicContact CE1-CB 4.46Å; F2817-H2832 HydrophobicContact CZ-CB 4.15Å; E2828-H2832 WeakPolarHBondContact O-CB 3.42Å; E2828-H2832 PolarHBondContact O-N 3.16Å; Q2829-H2832 WeakPolarHBondContact O-CB 3.35Å; Q2829-H2832 PolarHBondContact O-N 3.2Å; M2830-H2832 VanDerWaalsContact C-N 3.31Å; M2830-H2832 PolarHBondContact O-N 3.06Å; H2832-N2835 PolarHBondContact O-N 3.13Å; H2832-I2836 VanDerWaalsContact CE1-CD1 3.45Å; H2832-I2836 WeakPolarHBondContact CE1-CD1 3.4Å; H2832-I2836 VanDerWaalsContact ND1-CD1 3.33Å; H2832-I2836 WeakPolarHBondContact ND1-CD1 3.41Å; H2832-I2836 WeakPolarHBondContact O-CG1 3.18Å; H2832-I2836 PolarHBondContact O-N 3.11Å |
| 2833 | I | 82.2 | Confident | 79.5 | Confident | 1.66667 Ų | 1.66667 | 37.6 Ų | 37.6 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 177.3 | -63.1 | 162.1 | 0 | 0 | 0 | 110.9 | L2799 Y2800 I2807 V2811 Q2829 M2830 I2831 N2835 I2836 K2837 | L2799-I2833 HydrophobicContact CD1-CB 4.46Å; L2799-I2833 HydrophobicContact CD1-CG2 3.96Å; L2799-I2833 HydrophobicContact CD2-CB 4.23Å; L2799-I2833 HydrophobicContact CD2-CG2 4.19Å; L2799-I2833 HydrophobicContact CG-CB 4.33Å; L2799-I2833 HydrophobicContact CG-CG2 3.74Å; Y2800-I2833 HydrophobicContact CD1-CD1 3.79Å; Y2800-I2833 HydrophobicContact CE1-CD1 3.22Å; I2807-I2833 HydrophobicContact CG2-CG2 4.39Å; V2811-I2833 HydrophobicContact CB-CG1 4.5Å; V2811-I2833 HydrophobicContact CG1-CD1 4.22Å; V2811-I2833 HydrophobicContact CG1-CG1 4.01Å; V2811-I2833 HydrophobicContact CG2-CD1 4.38Å; V2811-I2833 HydrophobicContact CG2-CG1 3.62Å; Q2829-I2833 HydrophobicContact CG-CD1 4.12Å; Q2829-I2833 VanDerWaalsContact O-CG1 3.28Å; Q2829-I2833 WeakPolarHBondContact O-CG1 3.42Å; Q2829-I2833 PolarHBondContact O-N 3.01Å; M2830-I2833 PolarHBondContact O-N 3.23Å; I2831-I2833 PolarHBondContact O-N 3.26Å; I2833-N2835 VanDerWaalsContact C-N 3.27Å; I2833-N2835 PolarHBondContact O-N 2.81Å; I2833-I2836 PolarHBondContact O-N 3.11Å; I2833-K2837 PolarHBondContact O-N 2.91Å |
| 2834 | K | 79.9 | Confident | 79.1 | Confident | 31.3333 Ų | 31.3333 | 39.6 Ų | 39.6 | 14% | 0.136 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.1 | -42.3 | 174.7 | -177.4 | -177.1 | 171.4 | -170.3 | 0 | 111.1 | Q2769 E2772 L2799 M2830 I2831 L2838 | Q2769-K2834 PolarHBondContact O-NZ 2.96Å; E2772-K2834 IonicContact OE1-NZ 3.3Å; E2772-K2834 PolarHBondContact OE1-NZ 3.18Å; L2799-K2834 HydrophobicContact CD1-CB 4.16Å; L2799-K2834 HydrophobicContact CD2-CB 4.48Å; M2830-K2834 WeakPolarHBondContact O-CB 3.3Å; M2830-K2834 PolarHBondContact O-N 3.1Å; I2831-K2834 PolarHBondContact O-N 2.98Å; K2834-L2838 WeakPolarHBondContact O-CB 3.41Å; K2834-L2838 PolarHBondContact O-N 3.19Å |
| 2835 | N | 80.1 | Confident | 78.7 | Confident | 74 Ų | 74 | 44.9 Ų | 44.9 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69 | -42 | 177.2 | -68.5 | -14.4 | 0 | 0 | 0 | 112.4 | I2831 H2832 I2833 L2838 E2839 | I2831-N2835 WeakPolarHBondContact O-CB 3.26Å; I2831-N2835 VanDerWaalsContact O-CG 3.25Å; I2831-N2835 PolarHBondContact O-N 3.12Å; I2831-N2835 PolarHBondContact O-ND2 3.26Å; H2832-N2835 PolarHBondContact O-N 3.13Å; I2833-N2835 VanDerWaalsContact C-N 3.27Å; I2833-N2835 PolarHBondContact O-N 2.81Å; N2835-L2838 PolarHBondContact O-N 3.21Å; N2835-E2839 WeakPolarHBondContact O-CB 3.3Å; N2835-E2839 WeakPolarHBondContact O-CG 3.3Å; N2835-E2839 PolarHBondContact O-N 2.93Å |
| 2836 | I | 78.2 | Confident | 78.3 | Confident | 11.6667 Ų | 11.6667 | 47.6 Ų | 47.6 | 6% | 0.06 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -50.8 | 174.2 | -68.9 | 163.7 | 0 | 0 | 0 | 110.2 | E2810 V2811 H2832 I2833 L2838 E2839 D2840 | E2810-I2836 HydrophobicContact CB-CD1 3.96Å; V2811-I2836 HydrophobicContact CG2-CD1 3.81Å; H2832-I2836 VanDerWaalsContact CE1-CD1 3.45Å; H2832-I2836 WeakPolarHBondContact CE1-CD1 3.4Å; H2832-I2836 VanDerWaalsContact ND1-CD1 3.33Å; H2832-I2836 WeakPolarHBondContact ND1-CD1 3.41Å; H2832-I2836 WeakPolarHBondContact O-CG1 3.18Å; H2832-I2836 PolarHBondContact O-N 3.11Å; I2833-I2836 PolarHBondContact O-N 3.11Å; I2836-L2838 VanDerWaalsContact C-N 3.31Å; I2836-L2838 PolarHBondContact O-N 3.03Å; I2836-E2839 PolarHBondContact O-N 3.18Å; I2836-E2839 VanDerWaalsContact O-N 3.15Å; I2836-D2840 WeakPolarHBondContact O-CB 3.36Å; I2836-D2840 PolarHBondContact O-N 3.31Å |
| 2837 | K | 75.2 | Confident | 77.7 | Confident | 48.3333 Ų | 48.3333 | 45.8 Ų | 45.8 | 21% | 0.21 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 179.4 | -73.7 | -158.8 | 176.1 | -169.3 | 0 | 112 | G2798 L2799 H2801 I2807 I2833 D2840 E2841 | G2798-K2837 PolarHBondContact O-NZ 3.14Å; L2799-K2837 HydrophobicContact CD1-CD 4.05Å; L2799-K2837 WeakPolarHBondContact O-CE 3.34Å; L2799-K2837 PolarHBondContact O-NZ 2.97Å; L2799-K2837 VanDerWaalsContact O-NZ 3.13Å; H2801-K2837 PolarHBondContact O-NZ 3.2Å; H2801-K2837 VanDerWaalsContact O-NZ 3.13Å; I2807-K2837 HydrophobicContact CD1-CD 4.48Å; I2807-K2837 VanDerWaalsContact CD1-CE 3.44Å; I2807-K2837 HydrophobicContact CD1-CG 4.4Å; I2833-K2837 PolarHBondContact O-N 2.91Å; K2837-D2840 PolarHBondContact O-N 3.07Å; K2837-E2841 WeakPolarHBondContact O-CB 3.36Å; K2837-E2841 WeakPolarHBondContact O-CG 3.44Å; K2837-E2841 PolarHBondContact O-N 3.14Å |
| 2838 | L | 74.8 | Confident | 77.1 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 38% | 0.382 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64 | -43.3 | 176.1 | -177.8 | 66.1 | 0 | 0 | 0 | 111.8 | P2794 K2834 N2835 I2836 D2840 E2841 L2842 | P2794-L2838 HydrophobicContact CG-CD1 4.38Å; K2834-L2838 WeakPolarHBondContact O-CB 3.41Å; K2834-L2838 PolarHBondContact O-N 3.19Å; N2835-L2838 PolarHBondContact O-N 3.21Å; I2836-L2838 VanDerWaalsContact C-N 3.31Å; I2836-L2838 PolarHBondContact O-N 3.03Å; L2838-D2840 VanDerWaalsContact C-N 3.33Å; L2838-D2840 PolarHBondContact O-N 3.34Å; L2838-E2841 PolarHBondContact O-N 2.98Å; L2838-L2842 HydrophobicContact CD1-CD1 4.48Å; L2838-L2842 HydrophobicContact CG-CD1 4.15Å; L2838-L2842 WeakPolarHBondContact O-CB 3.32Å; L2838-L2842 VanDerWaalsContact O-CG 3.22Å; L2838-L2842 WeakPolarHBondContact O-CG 3.46Å; L2838-L2842 PolarHBondContact O-N 3.27Å |
| 2839 | E | 72.7 | Confident | 76.4 | Confident | 89 Ų | 89 | 49.6 Ų | 49.6 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 175.8 | -75.6 | -171.3 | -166.4 | 0 | 0 | 112 | N2835 I2836 L2842 F2843 R2872 | N2835-E2839 WeakPolarHBondContact O-CB 3.3Å; N2835-E2839 WeakPolarHBondContact O-CG 3.3Å; N2835-E2839 PolarHBondContact O-N 2.93Å; I2836-E2839 PolarHBondContact O-N 3.18Å; I2836-E2839 VanDerWaalsContact O-N 3.15Å; E2839-L2842 PolarHBondContact O-N 3.13Å; E2839-F2843 VanDerWaalsContact O-CB 3.23Å; E2839-F2843 WeakPolarHBondContact O-CB 3.39Å; E2839-F2843 PolarHBondContact O-N 2.77Å; E2839-R2872 IonicContact OE1-NH2 2.99Å; E2839-R2872 IonicContact OE2-CZ 3.02Å; E2839-R2872 IonicContact OE2-NE 3.83Å; E2839-R2872 IonicContact OE2-NH2 3.41Å; E2839-R2872 PolarHBondContact OE2-NH2 3.16Å |
| 2840 | D | 72.5 | Confident | 75.7 | Confident | 43.6667 Ų | 43.6667 | 49.6 Ų | 49.6 | 23% | 0.234 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -43.6 | 176 | -78.8 | -17.4 | 0 | 0 | 0 | 112.3 | I2836 K2837 L2838 F2843 A2844 K2876 | I2836-D2840 WeakPolarHBondContact O-CB 3.36Å; I2836-D2840 PolarHBondContact O-N 3.31Å; K2837-D2840 PolarHBondContact O-N 3.07Å; L2838-D2840 VanDerWaalsContact C-N 3.33Å; L2838-D2840 PolarHBondContact O-N 3.34Å; D2840-F2843 PolarHBondContact O-N 2.95Å; D2840-A2844 VanDerWaalsContact O-CB 3.25Å; D2840-A2844 WeakPolarHBondContact O-CB 3.32Å; D2840-A2844 PolarHBondContact O-N 3.13Å; D2840-K2876 IonicContact OD1-NZ 2.98Å; D2840-K2876 PolarHBondContact OD1-NZ 3.13Å |
| 2841 | E | 71.3 | Confident | 74.9 | Confident | 109 Ų | 109 | 49.9 Ų | 49.9 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 174.1 | -76.7 | 178.4 | 179.6 | 0 | 0 | 111.5 | K2837 L2838 A2844 R2845 | K2837-E2841 WeakPolarHBondContact O-CB 3.36Å; K2837-E2841 WeakPolarHBondContact O-CG 3.44Å; K2837-E2841 PolarHBondContact O-N 3.14Å; L2838-E2841 PolarHBondContact O-N 2.98Å; E2841-A2844 PolarHBondContact O-N 3.1Å; E2841-R2845 VanDerWaalsContact O-CB 3.29Å; E2841-R2845 WeakPolarHBondContact O-CB 3.34Å; E2841-R2845 PolarHBondContact O-N 3.03Å |
| 2842 | L | 72.3 | Confident | 74.2 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.8 | -72.4 | 171.6 | 0 | 0 | 0 | 111.2 | L2838 E2839 A2844 R2845 D2846 | L2838-L2842 HydrophobicContact CD1-CD1 4.48Å; L2838-L2842 HydrophobicContact CG-CD1 4.15Å; L2838-L2842 WeakPolarHBondContact O-CB 3.32Å; L2838-L2842 VanDerWaalsContact O-CG 3.22Å; L2838-L2842 WeakPolarHBondContact O-CG 3.46Å; L2838-L2842 PolarHBondContact O-N 3.27Å; E2839-L2842 PolarHBondContact O-N 3.13Å; L2842-A2844 PolarHBondContact O-N 3.03Å; L2842-R2845 WeakPolarHBondContact O-CB 3.2Å; L2842-R2845 PolarHBondContact O-N 3.22Å; L2842-D2846 WeakPolarHBondContact O-CB 3.32Å; L2842-D2846 VanDerWaalsContact O-CG 3.22Å; L2842-D2846 PolarHBondContact O-N 3.04Å |
| 2843 | F | 73.7 | Confident | 73.4 | Confident | 13.6667 Ų | 13.6667 | 56.3 Ų | 56.3 | 6% | 0.06 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 177.5 | 178.5 | -97.6 | 0 | 0 | 0 | 112 | E2839 D2840 R2845 D2846 C2847 F2869 R2872 L2873 K2876 F2931 | E2839-F2843 VanDerWaalsContact O-CB 3.23Å; E2839-F2843 WeakPolarHBondContact O-CB 3.39Å; E2839-F2843 PolarHBondContact O-N 2.77Å; D2840-F2843 PolarHBondContact O-N 2.95Å; F2843-R2845 VanDerWaalsContact C-N 3.34Å; F2843-D2846 PolarHBondContact O-N 3.21Å; F2843-C2847 VanDerWaalsContact CE1-SG 3.55Å; F2843-C2847 WeakPolarHBondContact CE1-SG 3.26Å; F2843-C2847 WeakPolarHBondContact CZ-SG 3.42Å; F2843-C2847 WeakPolarHBondContact O-CB 3.27Å; F2843-C2847 PolarHBondContact O-N 3.12Å; F2843-C2847 PolarHBondContact O-SG 2.9Å; F2843-F2869 HydrophobicContact CD2-CD2 4.21Å; F2843-F2869 AromaticContact CD2-CE2 3.99Å; F2843-F2869 HydrophobicContact CD2-CE2 4.03Å; F2843-F2869 HydrophobicContact CE2-CD2 4.16Å; F2843-F2869 AromaticContact CE2-CE2 3.84Å; F2843-F2869 HydrophobicContact CE2-CE2 3.84Å; F2843-F2869 HydrophobicContact CE2-CZ 4.48Å; F2843-R2872 HydrophobicContact CD2-CB 4.17Å; F2843-R2872 HydrophobicContact CE2-CB 3.96Å; F2843-L2873 HydrophobicContact CE2-CB 4.43Å; F2843-L2873 HydrophobicContact CZ-CB 4.42Å; F2843-L2873 HydrophobicContact CZ-CD1 4Å; F2843-K2876 HydrophobicContact CD1-CD 3.94Å; F2843-K2876 HydrophobicContact CE1-CD 3.63Å; F2843-K2876 HydrophobicContact CZ-CD 4.3Å; F2843-F2931 HydrophobicContact CE1-CE2 4.48Å; F2843-F2931 HydrophobicContact CE1-CZ 4.37Å; F2843-F2931 HydrophobicContact CZ-CE2 4.48Å |
| 2844 | A | 71.7 | Confident | 72.6 | Confident | 42 Ų | 42 | 58 Ų | 58 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D2840 E2841 L2842 C2847 L2848 | D2840-A2844 VanDerWaalsContact O-CB 3.25Å; D2840-A2844 WeakPolarHBondContact O-CB 3.32Å; D2840-A2844 PolarHBondContact O-N 3.13Å; E2841-A2844 PolarHBondContact O-N 3.1Å; L2842-A2844 PolarHBondContact O-N 3.03Å; A2844-C2847 PolarHBondContact O-N 3.09Å; A2844-L2848 WeakPolarHBondContact O-CB 3.42Å; A2844-L2848 VanDerWaalsContact O-CG 3.29Å; A2844-L2848 WeakPolarHBondContact O-CG 3.4Å; A2844-L2848 PolarHBondContact O-N 2.96Å |
| 2845 | R | 71.4 | Confident | 71.8 | Confident | 158 Ų | 158 | 60.2 Ų | 60.2 | 60% | 0.596 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.2 | -43.3 | 174.8 | -169.4 | -174.1 | 73.2 | 173.6 | 2.2 | 111.8 | E2841 L2842 F2843 L2848 S2849 | E2841-R2845 VanDerWaalsContact O-CB 3.29Å; E2841-R2845 WeakPolarHBondContact O-CB 3.34Å; E2841-R2845 PolarHBondContact O-N 3.03Å; L2842-R2845 WeakPolarHBondContact O-CB 3.2Å; L2842-R2845 PolarHBondContact O-N 3.22Å; F2843-R2845 VanDerWaalsContact C-N 3.34Å; R2845-L2848 PolarHBondContact O-N 3.03Å; R2845-S2849 WeakPolarHBondContact O-CB 3.3Å; R2845-S2849 PolarHBondContact O-N 3.17Å; R2845-S2849 PolarHBondContact O-OG 3.21Å |
| 2846 | D | 74.1 | Confident | 71.3 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 178.4 | -67.3 | -12.4 | 0 | 0 | 0 | 111 | L2842 F2843 L2848 S2849 L2850 F2869 | L2842-D2846 WeakPolarHBondContact O-CB 3.32Å; L2842-D2846 VanDerWaalsContact O-CG 3.22Å; L2842-D2846 PolarHBondContact O-N 3.04Å; F2843-D2846 PolarHBondContact O-N 3.21Å; D2846-L2848 PolarHBondContact O-N 3.26Å; D2846-S2849 WeakPolarHBondContact CA-OG 3.48Å; D2846-S2849 PolarHBondContact O-N 3.33Å; D2846-S2849 PolarHBondContact O-OG 3.05Å; D2846-L2850 VanDerWaalsContact O-CB 3.28Å; D2846-L2850 WeakPolarHBondContact O-CB 3.24Å; D2846-L2850 PolarHBondContact O-N 3.15Å; D2846-F2869 HydrophobicContact CB-CD2 4.49Å; D2846-F2869 HydrophobicContact CB-CE2 3.93Å |
| 2847 | C | 72.2 | Confident | 70.4 | Confident | 3.33333 Ų | 3.33333 | 64.2 Ų | 64.2 | 2% | 0.023 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 173.6 | -70.2 | 0 | 0 | 0 | 0 | 112.5 | F2843 A2844 L2850 A2851 I2936 | F2843-C2847 VanDerWaalsContact CE1-SG 3.55Å; F2843-C2847 WeakPolarHBondContact CE1-SG 3.26Å; F2843-C2847 WeakPolarHBondContact CZ-SG 3.42Å; F2843-C2847 WeakPolarHBondContact O-CB 3.27Å; F2843-C2847 PolarHBondContact O-N 3.12Å; F2843-C2847 PolarHBondContact O-SG 2.9Å; A2844-C2847 PolarHBondContact O-N 3.09Å; C2847-L2850 PolarHBondContact O-N 3.1Å; C2847-A2851 VanDerWaalsContact O-CB 3.28Å; C2847-A2851 WeakPolarHBondContact O-CB 3.25Å; C2847-A2851 PolarHBondContact O-N 3.18Å; C2847-I2936 HydrophobicContact CB-CD1 4.04Å; C2847-I2936 HydrophobicContact CB-CG1 4Å; C2847-I2936 HydrophobicContact CB-CG2 4.18Å |
| 2848 | L | 72.2 | Confident | 69.4 | Low | 80 Ų | 80 | 66.5 Ų | 66.5 | 42% | 0.419 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 174.9 | -78 | 166.8 | 0 | 0 | 0 | 111.6 | A2844 R2845 D2846 A2851 K2852 I2936 M2938 | A2844-L2848 WeakPolarHBondContact O-CB 3.42Å; A2844-L2848 VanDerWaalsContact O-CG 3.29Å; A2844-L2848 WeakPolarHBondContact O-CG 3.4Å; A2844-L2848 PolarHBondContact O-N 2.96Å; R2845-L2848 PolarHBondContact O-N 3.03Å; D2846-L2848 PolarHBondContact O-N 3.26Å; L2848-A2851 PolarHBondContact O-N 3.27Å; L2848-K2852 VanDerWaalsContact O-CB 3.29Å; L2848-K2852 WeakPolarHBondContact O-CB 3.38Å; L2848-K2852 PolarHBondContact O-N 3.32Å; L2848-I2936 HydrophobicContact CD2-CG2 3.59Å; L2848-I2936 HydrophobicContact CG-CG2 3.7Å; L2848-M2938 HydrophobicContact CD2-CG 4.32Å |
| 2849 | S | 72.6 | Confident | 68.4 | Low | 50.6667 Ų | 50.6667 | 65.3 Ų | 65.3 | 35% | 0.354 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.9 | 76.4 | 0 | 0 | 0 | 0 | 110.9 | R2845 D2846 A2851 K2852 E2853 | R2845-S2849 WeakPolarHBondContact O-CB 3.3Å; R2845-S2849 PolarHBondContact O-N 3.17Å; R2845-S2849 PolarHBondContact O-OG 3.21Å; D2846-S2849 WeakPolarHBondContact CA-OG 3.48Å; D2846-S2849 PolarHBondContact O-N 3.33Å; D2846-S2849 PolarHBondContact O-OG 3.05Å; S2849-A2851 VanDerWaalsContact C-N 3.34Å; S2849-A2851 PolarHBondContact O-N 3.26Å; S2849-K2852 PolarHBondContact O-N 3.32Å; S2849-K2852 VanDerWaalsContact O-N 3.16Å; S2849-E2853 WeakPolarHBondContact O-CB 3.38Å; S2849-E2853 WeakPolarHBondContact O-CG 3.25Å; S2849-E2853 PolarHBondContact O-N 2.95Å |
| 2850 | L | 71.7 | Confident | 67.5 | Low | 9.33333 Ų | 9.33333 | 71 Ų | 71 | 5% | 0.049 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 175.2 | -176.6 | 77.7 | 0 | 0 | 0 | 111.5 | D2846 C2847 K2852 W2854 F2865 F2869 L2905 F2912 | D2846-L2850 VanDerWaalsContact O-CB 3.28Å; D2846-L2850 WeakPolarHBondContact O-CB 3.24Å; D2846-L2850 PolarHBondContact O-N 3.15Å; C2847-L2850 PolarHBondContact O-N 3.1Å; L2850-K2852 VanDerWaalsContact C-N 3.3Å; L2850-K2852 PolarHBondContact O-N 3.01Å; L2850-W2854 HydrophobicContact CD1-CD2 4.33Å; L2850-W2854 HydrophobicContact CD1-CZ2 4.11Å; L2850-W2854 HydrophobicContact CD2-CE3 4.43Å; L2850-W2854 HydrophobicContact CD2-CH2 4.33Å; L2850-W2854 HydrophobicContact CD2-CZ3 4.26Å; L2850-W2854 HydrophobicContact CG-CD2 4.36Å; L2850-W2854 HydrophobicContact CG-CZ2 4.4Å; L2850-W2854 WeakPolarHBondContact O-CB 3.45Å; L2850-W2854 PolarHBondContact O-N 3.24Å; L2850-W2854 VanDerWaalsContact O-N 3.15Å; L2850-F2865 HydrophobicContact CD1-CE1 3.65Å; L2850-F2865 HydrophobicContact CD1-CZ 3.62Å; L2850-F2865 HydrophobicContact CD2-CE1 4.17Å; L2850-F2865 HydrophobicContact CD2-CZ 4.33Å; L2850-F2869 HydrophobicContact CD2-CE1 4.43Å; L2850-F2869 HydrophobicContact CD2-CZ 4.4Å; L2850-L2905 HydrophobicContact CD2-CD2 4.16Å; L2850-F2912 HydrophobicContact CD2-CE1 4.21Å; L2850-F2912 HydrophobicContact CD2-CZ 4.21Å; L2850-F2912 HydrophobicContact CG-CE1 4.39Å; L2850-F2912 HydrophobicContact CG-CZ 4.44Å |
| 2851 | A | 67.7 | Low | 66.6 | Low | 9.66667 Ų | 9.66667 | 73.3 Ų | 73.3 | 8% | 0.08 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C2847 L2848 S2849 S2855 R2907 F2912 M2938 | C2847-A2851 VanDerWaalsContact O-CB 3.28Å; C2847-A2851 WeakPolarHBondContact O-CB 3.25Å; C2847-A2851 PolarHBondContact O-N 3.18Å; L2848-A2851 PolarHBondContact O-N 3.27Å; S2849-A2851 VanDerWaalsContact C-N 3.34Å; S2849-A2851 PolarHBondContact O-N 3.26Å; A2851-S2855 VanDerWaalsContact O-CB 3.32Å; A2851-S2855 WeakPolarHBondContact O-CB 3.32Å; A2851-S2855 PolarHBondContact O-N 3.27Å; A2851-S2855 VanDerWaalsContact O-N 3.13Å; A2851-S2855 PolarHBondContact O-OG 3.38Å; A2851-R2907 PolarHBondContact O-NH1 3.28Å; A2851-F2912 HydrophobicContact CB-CZ 4.39Å; A2851-M2938 HydrophobicContact CB-SD 4.41Å |
| 2852 | K | 68 | Low | 65.9 | Low | 128.333 Ų | 128.333 | 75.9 Ų | 75.9 | 56% | 0.558 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -71.8 | -51 | 179.1 | -170.9 | 179.5 | 176.4 | -174.7 | 0 | 112.1 | L2848 S2849 L2850 W2854 S2855 E2856 | L2848-K2852 VanDerWaalsContact O-CB 3.29Å; L2848-K2852 WeakPolarHBondContact O-CB 3.38Å; L2848-K2852 PolarHBondContact O-N 3.32Å; S2849-K2852 PolarHBondContact O-N 3.32Å; S2849-K2852 VanDerWaalsContact O-N 3.16Å; L2850-K2852 VanDerWaalsContact C-N 3.3Å; L2850-K2852 PolarHBondContact O-N 3.01Å; K2852-W2854 VanDerWaalsContact C-N 3.26Å; K2852-W2854 PolarHBondContact O-N 3.15Å; K2852-S2855 WeakPolarHBondContact CA-OG 3.27Å; K2852-S2855 WeakPolarHBondContact O-CA 3.38Å; K2852-S2855 WeakPolarHBondContact O-CB 3.23Å; K2852-S2855 PolarHBondContact O-N 3.06Å; K2852-S2855 PolarHBondContact O-OG 3.1Å; K2852-E2856 WeakPolarHBondContact CE-OE1 3.46Å; K2852-E2856 WeakPolarHBondContact O-CG 3.45Å; K2852-E2856 PolarHBondContact O-N 2.99Å |
| 2853 | E | 66.7 | Low | 65.3 | Low | 76 Ų | 76 | 75.8 Ų | 75.8 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.9 | -40.2 | 178.3 | -75.5 | -179.7 | 167.4 | 0 | 0 | 112.1 | S2849 E2856 N2858 H2863 | S2849-E2853 WeakPolarHBondContact O-CB 3.38Å; S2849-E2853 WeakPolarHBondContact O-CG 3.25Å; S2849-E2853 PolarHBondContact O-N 2.95Å; E2853-E2856 PolarHBondContact O-N 2.73Å; E2853-N2858 PolarHBondContact O-N 3.23Å; E2853-H2863 IonicContact OE2-CE1 3.5Å; E2853-H2863 PolarHBondContact OE2-CE1 3.13Å; E2853-H2863 IonicContact OE2-NE2 3.46Å; E2853-H2863 PolarHBondContact OE2-NE2 2.83Å |
| 2854 | W | 65.4 | Low | 64.9 | Low | 37.6667 Ų | 37.6667 | 81.8 Ų | 81.8 | 14% | 0.143 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -75.4 | -29.4 | 176.7 | -73.1 | 9.8 | 0 | 0 | 0 | 113.4 | L2850 K2852 E2856 G2857 A2859 F2865 L2905 R2907 F2912 | L2850-W2854 HydrophobicContact CD1-CD2 4.33Å; L2850-W2854 HydrophobicContact CD1-CZ2 4.11Å; L2850-W2854 HydrophobicContact CD2-CE3 4.43Å; L2850-W2854 HydrophobicContact CD2-CH2 4.33Å; L2850-W2854 HydrophobicContact CD2-CZ3 4.26Å; L2850-W2854 HydrophobicContact CG-CD2 4.36Å; L2850-W2854 HydrophobicContact CG-CZ2 4.4Å; L2850-W2854 WeakPolarHBondContact O-CB 3.45Å; L2850-W2854 PolarHBondContact O-N 3.24Å; L2850-W2854 VanDerWaalsContact O-N 3.15Å; K2852-W2854 VanDerWaalsContact C-N 3.26Å; K2852-W2854 PolarHBondContact O-N 3.15Å; W2854-E2856 VanDerWaalsContact C-N 3.27Å; W2854-E2856 PolarHBondContact O-N 2.86Å; W2854-G2857 PolarHBondContact O-N 3.25Å; W2854-A2859 HydrophobicContact CG-CB 4.41Å; W2854-F2865 HydrophobicContact CZ2-CZ 4.38Å; W2854-L2905 HydrophobicContact CH2-CD2 3.52Å; W2854-L2905 HydrophobicContact CH2-CG 3.86Å; W2854-L2905 HydrophobicContact CZ2-CD2 4.13Å; W2854-L2905 HydrophobicContact CZ3-CD2 4.21Å; W2854-L2905 HydrophobicContact CZ3-CG 4.34Å; W2854-R2907 HydrophobicContact CE3-CB 3.86Å; W2854-R2907 HydrophobicContact CE3-CG 4.31Å; W2854-R2907 HydrophobicContact CZ3-CB 3.75Å; W2854-F2912 HydrophobicContact CE3-CD1 4.25Å; W2854-F2912 AromaticContact CE3-CE1 3.59Å; W2854-F2912 HydrophobicContact CE3-CE1 3.73Å; W2854-F2912 HydrophobicContact CE3-CZ 4.45Å; W2854-F2912 AromaticContact CZ3-CD1 3.66Å; W2854-F2912 HydrophobicContact CZ3-CD1 3.82Å; W2854-F2912 AromaticContact CZ3-CE1 3.64Å; W2854-F2912 HydrophobicContact CZ3-CE1 3.64Å; W2854-F2912 VanDerWaalsContact CZ3-CE1 3.47Å |
| 2855 | S | 64.3 | Low | 64.8 | Low | 78.6667 Ų | 78.6667 | 82.4 Ų | 82.4 | 55% | 0.55 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -68.8 | -30.6 | 173.9 | 74.2 | 0 | 0 | 0 | 0 | 112.6 | A2851 K2852 G2857 | A2851-S2855 VanDerWaalsContact O-CB 3.32Å; A2851-S2855 WeakPolarHBondContact O-CB 3.32Å; A2851-S2855 PolarHBondContact O-N 3.27Å; A2851-S2855 VanDerWaalsContact O-N 3.13Å; A2851-S2855 PolarHBondContact O-OG 3.38Å; K2852-S2855 WeakPolarHBondContact CA-OG 3.27Å; K2852-S2855 WeakPolarHBondContact O-CA 3.38Å; K2852-S2855 WeakPolarHBondContact O-CB 3.23Å; K2852-S2855 PolarHBondContact O-N 3.06Å; K2852-S2855 PolarHBondContact O-OG 3.1Å; S2855-G2857 PolarHBondContact O-N 3.31Å |
| 2856 | E | 68.4 | Low | 64.8 | Low | 113.667 Ų | 113.667 | 81.8 Ų | 81.8 | 53% | 0.531 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 2.6 | 177.4 | -68.7 | 175.2 | -178.8 | 0 | 0 | 112.9 | K2852 E2853 W2854 N2858 | K2852-E2856 WeakPolarHBondContact CE-OE1 3.46Å; K2852-E2856 WeakPolarHBondContact O-CG 3.45Å; K2852-E2856 PolarHBondContact O-N 2.99Å; E2853-E2856 PolarHBondContact O-N 2.73Å; W2854-E2856 VanDerWaalsContact C-N 3.27Å; W2854-E2856 PolarHBondContact O-N 2.86Å; E2856-N2858 VanDerWaalsContact C-N 3.34Å; E2856-N2858 PolarHBondContact O-N 3.22Å |
| 2857 | G | 59.7 | Low | 64.6 | Low | 55 Ų | 55 | 84 Ų | 84 | 57% | 0.567 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | 7.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | W2854 S2855 A2859 | W2854-G2857 PolarHBondContact O-N 3.25Å; S2855-G2857 PolarHBondContact O-N 3.31Å; G2857-A2859 PolarHBondContact O-N 3.13Å; G2857-A2859 VanDerWaalsContact O-N 3.16Å |
| 2858 | N | 53.6 | Low | 64.6 | Low | 97.3333 Ų | 97.3333 | 86.1 Ų | 86.1 | 52% | 0.52 | 46% | 0.46 | S | S | . | . | trans | -77.1 | 8.5 | 178.8 | -75.6 | -22.8 | 0 | 0 | 0 | 114.1 | E2853 E2856 K2860 T2861 | E2853-N2858 PolarHBondContact O-N 3.23Å; E2856-N2858 VanDerWaalsContact C-N 3.34Å; E2856-N2858 PolarHBondContact O-N 3.22Å; N2858-K2860 PolarHBondContact O-N 3.19Å; N2858-T2861 PolarHBondContact O-N 2.97Å; N2858-T2861 PolarHBondContact O-OG1 3.06Å; N2858-T2861 VanDerWaalsContact O-OG1 3.11Å | ||
| 2859 | A | 54.2 | Low | 64.7 | Low | 48.3333 Ų | 48.3333 | 83.5 Ų | 83.5 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 3.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | W2854 G2857 T2861 | W2854-A2859 HydrophobicContact CG-CB 4.41Å; G2857-A2859 PolarHBondContact O-N 3.13Å; G2857-A2859 VanDerWaalsContact O-N 3.16Å; A2859-T2861 VanDerWaalsContact C-N 3.28Å; A2859-T2861 PolarHBondContact O-N 3.41Å |
| 2860 | K | 53.2 | Low | 64.8 | Low | 208 Ų | 208 | 81.8 Ų | 81.8 | 90% | 0.904 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -18.1 | 174.1 | -72.1 | -173.9 | -179.9 | 178.2 | 0 | 113.4 | N2858 | N2858-K2860 PolarHBondContact O-N 3.19Š|
| 2861 | T | 53.6 | Low | 64.9 | Low | 91.6667 Ų | 91.6667 | 86.1 Ų | 86.1 | 56% | 0.562 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -82.3 | 125.5 | 174.6 | 40.3 | 0 | 0 | 0 | 0 | 110.6 | N2858 A2859 H2863 | N2858-T2861 PolarHBondContact O-N 2.97Å; N2858-T2861 PolarHBondContact O-OG1 3.06Å; N2858-T2861 VanDerWaalsContact O-OG1 3.11Å; A2859-T2861 VanDerWaalsContact C-N 3.28Å; A2859-T2861 PolarHBondContact O-N 3.41Å; T2861-H2863 PolarHBondContact O-CD2 3.28Å; T2861-H2863 PolarHBondContact O-N 3.24Å |
| 2862 | Q | 57.3 | Low | 65.2 | Low | 164.333 Ų | 164.333 | 90.7 Ų | 90.7 | 77% | 0.768 | 47% | 0.467 | S | S | * | . | trans | -64.7 | 99.4 | 175.7 | -166.3 | 174.5 | 8.9 | 0 | 0 | 108.8 | V2864 | Q2862-V2864 PolarHBondContact O-N 3.32Š| ||
| 2863 | H | 60.2 | Low | 65.6 | Low | 64 Ų | 64 | 84.7 Ų | 84.7 | 30% | 0.296 | 44% | 0.442 | S | S | . | . | trans | -70 | 130.2 | 176.8 | -91.8 | -95.2 | 0 | 0 | 0 | 110.5 | E2853 T2861 F2865 | E2853-H2863 IonicContact OE2-CE1 3.5Å; E2853-H2863 PolarHBondContact OE2-CE1 3.13Å; E2853-H2863 IonicContact OE2-NE2 3.46Å; E2853-H2863 PolarHBondContact OE2-NE2 2.83Å; T2861-H2863 PolarHBondContact O-CD2 3.28Å; T2861-H2863 PolarHBondContact O-N 3.24Å; H2863-F2865 HydrophobicContact CB-CD2 4.45Å; H2863-F2865 HydrophobicContact CB-CE1 4.31Å; H2863-F2865 HydrophobicContact CB-CE2 3.8Å; H2863-F2865 HydrophobicContact CB-CZ 3.76Å | ||
| 2864 | V | 65 | Low | 66.1 | Low | 140.333 Ų | 140.333 | 81.6 Ų | 81.6 | 85% | 0.851 | 43% | 0.428 | S | S | * | . | trans | -93 | 109.3 | 169.3 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | Q2862 | Q2862-V2864 PolarHBondContact O-N 3.32Š| ||
| 2865 | F | 68.6 | Low | 66.4 | Low | 53.3333 Ų | 53.3333 | 86.4 Ų | 86.4 | 23% | 0.234 | 46% | 0.457 | C | S | . | . | trans | -89.8 | 139.2 | 172.3 | -62 | -75.6 | 0 | 0 | 0 | 109.5 | L2850 W2854 H2863 F2869 L2870 L2905 | L2850-F2865 HydrophobicContact CD1-CE1 3.65Å; L2850-F2865 HydrophobicContact CD1-CZ 3.62Å; L2850-F2865 HydrophobicContact CD2-CE1 4.17Å; L2850-F2865 HydrophobicContact CD2-CZ 4.33Å; W2854-F2865 HydrophobicContact CZ2-CZ 4.38Å; H2863-F2865 HydrophobicContact CB-CD2 4.45Å; H2863-F2865 HydrophobicContact CB-CE1 4.31Å; H2863-F2865 HydrophobicContact CB-CE2 3.8Å; H2863-F2865 HydrophobicContact CB-CZ 3.76Å; F2865-F2869 HydrophobicContact CB-CD1 4.4Å; F2865-F2869 AromaticContact CD1-CD1 3.66Å; F2865-F2869 HydrophobicContact CD1-CD1 3.66Å; F2865-F2869 AromaticContact CD1-CE1 3.77Å; F2865-F2869 HydrophobicContact CD1-CE1 3.77Å; F2865-F2869 HydrophobicContact CE1-CD1 4.37Å; F2865-F2869 AromaticContact CE1-CE1 3.99Å; F2865-F2869 HydrophobicContact CE1-CE1 4.02Å; F2865-F2869 HydrophobicContact CG-CD1 4.32Å; F2865-L2870 HydrophobicContact CB-CD1 4.09Å; F2865-L2870 HydrophobicContact CB-CD2 4.08Å; F2865-L2870 HydrophobicContact CB-CG 3.88Å; F2865-L2870 HydrophobicContact CD2-CD2 4.36Å; F2865-L2870 HydrophobicContact CG-CD2 4.21Å; F2865-L2870 HydrophobicContact CG-CG 4.49Å; F2865-L2905 HydrophobicContact CE2-CD2 4.04Å; F2865-L2905 HydrophobicContact CZ-CD2 4.1Å | ||
| 2866 | E | 72.1 | Confident | 66.9 | Low | 146.333 Ų | 146.333 | 86.2 Ų | 86.2 | 68% | 0.684 | 45% | 0.446 | S | S | * | . | trans | -64.4 | 141.5 | 162.8 | -72.3 | -162.7 | 159.4 | 0 | 0 | 109.9 | S2868 F2869 L2870 | E2866-S2868 VanDerWaalsContact CB-OG 3.26Å; E2866-S2868 WeakPolarHBondContact CB-OG 3.32Å; E2866-S2868 PolarHBondContact O-N 3.11Å; E2866-S2868 PolarHBondContact OE2-OG 3.41Å; E2866-S2868 VanDerWaalsContact OE2-OG 3.07Å; E2866-F2869 WeakPolarHBondContact O-CB 3.46Å; E2866-F2869 PolarHBondContact O-N 3.01Å; E2866-F2869 VanDerWaalsContact O-N 3.09Å; E2866-L2870 PolarHBondContact O-N 3.02Å | ||
| 2867 | E | 69.3 | Low | 67.3 | Low | 107 Ų | 107 | 81.4 Ų | 81.4 | 50% | 0.5 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.1 | -30.7 | 177.3 | -171.2 | 171.9 | -174.5 | 0 | 0 | 111.8 | F2869 L2870 Q2871 W2903 | E2867-F2869 PolarHBondContact O-N 3.25Å; E2867-L2870 PolarHBondContact O-N 2.94Å; E2867-Q2871 HydrophobicContact CG-CG 4.5Å; E2867-Q2871 WeakPolarHBondContact O-CB 3.46Å; E2867-Q2871 WeakPolarHBondContact O-CG 3.37Å; E2867-Q2871 PolarHBondContact O-N 3.13Å; E2867-W2903 HydrophobicContact CG-CZ2 4.38Å |
| 2868 | S | 72 | Confident | 68.3 | Low | 48.6667 Ų | 48.6667 | 84.4 Ų | 84.4 | 34% | 0.34 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 173.6 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | E2866 Q2871 R2872 | E2866-S2868 VanDerWaalsContact CB-OG 3.26Å; E2866-S2868 WeakPolarHBondContact CB-OG 3.32Å; E2866-S2868 PolarHBondContact O-N 3.11Å; E2866-S2868 PolarHBondContact OE2-OG 3.41Å; E2866-S2868 VanDerWaalsContact OE2-OG 3.07Å; S2868-Q2871 PolarHBondContact O-N 2.7Å; S2868-R2872 WeakPolarHBondContact O-CG 3.42Å; S2868-R2872 PolarHBondContact O-N 3.24Å; S2868-R2872 VanDerWaalsContact O-N 3.08Å |
| 2869 | F | 75.2 | Confident | 69.6 | Low | 25 Ų | 25 | 84 Ų | 84 | 11% | 0.11 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 177.4 | 175.6 | -98.7 | 0 | 0 | 0 | 111.3 | F2843 D2846 L2850 F2865 E2866 E2867 R2872 L2873 | F2843-F2869 HydrophobicContact CD2-CD2 4.21Å; F2843-F2869 AromaticContact CD2-CE2 3.99Å; F2843-F2869 HydrophobicContact CD2-CE2 4.03Å; F2843-F2869 HydrophobicContact CE2-CD2 4.16Å; F2843-F2869 AromaticContact CE2-CE2 3.84Å; F2843-F2869 HydrophobicContact CE2-CE2 3.84Å; F2843-F2869 HydrophobicContact CE2-CZ 4.48Å; D2846-F2869 HydrophobicContact CB-CD2 4.49Å; D2846-F2869 HydrophobicContact CB-CE2 3.93Å; L2850-F2869 HydrophobicContact CD2-CE1 4.43Å; L2850-F2869 HydrophobicContact CD2-CZ 4.4Å; F2865-F2869 HydrophobicContact CB-CD1 4.4Å; F2865-F2869 AromaticContact CD1-CD1 3.66Å; F2865-F2869 HydrophobicContact CD1-CD1 3.66Å; F2865-F2869 AromaticContact CD1-CE1 3.77Å; F2865-F2869 HydrophobicContact CD1-CE1 3.77Å; F2865-F2869 HydrophobicContact CE1-CD1 4.37Å; F2865-F2869 AromaticContact CE1-CE1 3.99Å; F2865-F2869 HydrophobicContact CE1-CE1 4.02Å; F2865-F2869 HydrophobicContact CG-CD1 4.32Å; E2866-F2869 WeakPolarHBondContact O-CB 3.46Å; E2866-F2869 PolarHBondContact O-N 3.01Å; E2866-F2869 VanDerWaalsContact O-N 3.09Å; E2867-F2869 PolarHBondContact O-N 3.25Å; F2869-R2872 PolarHBondContact O-N 3.38Å; F2869-L2873 WeakPolarHBondContact O-CB 3.41Å; F2869-L2873 PolarHBondContact O-N 3.16Å |
| 2870 | L | 74.5 | Confident | 71 | Confident | 14.6667 Ų | 14.6667 | 84.9 Ų | 84.9 | 8% | 0.077 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 178.2 | -67.3 | 175.4 | 0 | 0 | 0 | 112.2 | F2865 E2866 E2867 L2873 C2874 W2903 | F2865-L2870 HydrophobicContact CB-CD1 4.09Å; F2865-L2870 HydrophobicContact CB-CD2 4.08Å; F2865-L2870 HydrophobicContact CB-CG 3.88Å; F2865-L2870 HydrophobicContact CD2-CD2 4.36Å; F2865-L2870 HydrophobicContact CG-CD2 4.21Å; F2865-L2870 HydrophobicContact CG-CG 4.49Å; E2866-L2870 PolarHBondContact O-N 3.02Å; E2867-L2870 PolarHBondContact O-N 2.94Å; L2870-L2873 WeakPolarHBondContact O-CB 3.37Å; L2870-L2873 PolarHBondContact O-N 3.02Å; L2870-C2874 WeakPolarHBondContact O-CB 3.32Å; L2870-C2874 PolarHBondContact O-N 3.02Å; L2870-C2874 PolarHBondContact O-SG 2.99Å; L2870-C2874 VanDerWaalsContact O-SG 3.38Å; L2870-W2903 HydrophobicContact CB-CD2 4.39Å; L2870-W2903 HydrophobicContact CB-CE3 4.23Å; L2870-W2903 HydrophobicContact CB-CZ3 4.23Å; L2870-W2903 HydrophobicContact CD1-CB 4.08Å; L2870-W2903 HydrophobicContact CD1-CD2 3.97Å; L2870-W2903 HydrophobicContact CD1-CE3 4.24Å; L2870-W2903 HydrophobicContact CD1-CG 3.9Å |
| 2871 | Q | 74.6 | Confident | 72.5 | Confident | 100.333 Ų | 100.333 | 78.3 Ų | 78.3 | 47% | 0.469 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 174.6 | -75.3 | -180 | 2.6 | 0 | 0 | 111.8 | E2867 S2868 C2874 N2875 W2903 | E2867-Q2871 HydrophobicContact CG-CG 4.5Å; E2867-Q2871 WeakPolarHBondContact O-CB 3.46Å; E2867-Q2871 WeakPolarHBondContact O-CG 3.37Å; E2867-Q2871 PolarHBondContact O-N 3.13Å; S2868-Q2871 PolarHBondContact O-N 2.7Å; Q2871-C2874 WeakPolarHBondContact O-CB 3.44Å; Q2871-C2874 PolarHBondContact O-N 3.18Å; Q2871-N2875 VanDerWaalsContact O-CG 3.29Å; Q2871-N2875 PolarHBondContact O-N 3.22Å; Q2871-N2875 PolarHBondContact O-OD1 3.21Å; Q2871-W2903 HydrophobicContact CG-CH2 4.22Å; Q2871-W2903 HydrophobicContact CG-CZ2 4.49Å |
| 2872 | R | 73 | Confident | 74 | Confident | 105 Ų | 105 | 79 Ų | 79 | 40% | 0.396 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 174.3 | -77.8 | 178.5 | 177.1 | 162 | -3 | 112 | E2839 F2843 S2868 F2869 C2874 N2875 K2876 | E2839-R2872 IonicContact OE1-NH2 2.99Å; E2839-R2872 IonicContact OE2-CZ 3.02Å; E2839-R2872 IonicContact OE2-NE 3.83Å; E2839-R2872 IonicContact OE2-NH2 3.41Å; E2839-R2872 PolarHBondContact OE2-NH2 3.16Å; F2843-R2872 HydrophobicContact CD2-CB 4.17Å; F2843-R2872 HydrophobicContact CE2-CB 3.96Å; S2868-R2872 WeakPolarHBondContact O-CG 3.42Å; S2868-R2872 PolarHBondContact O-N 3.24Å; S2868-R2872 VanDerWaalsContact O-N 3.08Å; F2869-R2872 PolarHBondContact O-N 3.38Å; R2872-C2874 VanDerWaalsContact C-N 3.29Å; R2872-C2874 PolarHBondContact O-N 3.22Å; R2872-N2875 PolarHBondContact O-N 3.28Å; R2872-K2876 PolarHBondContact O-N 3.1Å; R2872-K2876 VanDerWaalsContact O-N 3.09Å |
| 2873 | L | 76.4 | Confident | 75.3 | Confident | 4.33333 Ų | 4.33333 | 72.4 Ų | 72.4 | 2% | 0.023 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 174.8 | -172.6 | 72.3 | 0 | 0 | 0 | 110.8 | F2843 F2869 L2870 K2876 S2877 L2905 V2914 F2931 | F2843-L2873 HydrophobicContact CE2-CB 4.43Å; F2843-L2873 HydrophobicContact CZ-CB 4.42Å; F2843-L2873 HydrophobicContact CZ-CD1 4Å; F2869-L2873 WeakPolarHBondContact O-CB 3.41Å; F2869-L2873 PolarHBondContact O-N 3.16Å; L2870-L2873 WeakPolarHBondContact O-CB 3.37Å; L2870-L2873 PolarHBondContact O-N 3.02Å; L2873-K2876 PolarHBondContact O-N 3.03Å; L2873-S2877 WeakPolarHBondContact O-CB 3.38Å; L2873-S2877 PolarHBondContact O-N 3.23Å; L2873-S2877 PolarHBondContact O-OG 3Å; L2873-L2905 HydrophobicContact CD2-CD1 4.09Å; L2873-V2914 HydrophobicContact CD2-CG2 3.61Å; L2873-V2914 HydrophobicContact CG-CG2 4.28Å; L2873-F2931 HydrophobicContact CD1-CB 4.47Å; L2873-F2931 HydrophobicContact CD1-CD1 4.19Å; L2873-F2931 HydrophobicContact CD1-CD2 3.76Å; L2873-F2931 HydrophobicContact CD1-CE1 4.25Å; L2873-F2931 HydrophobicContact CD1-CE2 3.89Å; L2873-F2931 HydrophobicContact CD1-CG 3.98Å; L2873-F2931 HydrophobicContact CD1-CZ 4.22Å; L2873-F2931 HydrophobicContact CG-CD2 4.43Å |
| 2874 | C | 76.5 | Confident | 76.3 | Confident | 10.6667 Ų | 10.6667 | 73.2 Ų | 73.2 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 175.7 | -78.4 | 0 | 0 | 0 | 0 | 112.9 | L2870 Q2871 R2872 K2876 S2877 F2929 | L2870-C2874 WeakPolarHBondContact O-CB 3.32Å; L2870-C2874 PolarHBondContact O-N 3.02Å; L2870-C2874 PolarHBondContact O-SG 2.99Å; L2870-C2874 VanDerWaalsContact O-SG 3.38Å; Q2871-C2874 WeakPolarHBondContact O-CB 3.44Å; Q2871-C2874 PolarHBondContact O-N 3.18Å; R2872-C2874 VanDerWaalsContact C-N 3.29Å; R2872-C2874 PolarHBondContact O-N 3.22Å; C2874-K2876 VanDerWaalsContact C-N 3.27Å; C2874-K2876 PolarHBondContact O-N 3.26Å; C2874-S2877 VanDerWaalsContact C-OG 3.31Å; C2874-S2877 VanDerWaalsContact CA-OG 3.24Å; C2874-S2877 WeakPolarHBondContact CA-OG 3.4Å; C2874-S2877 PolarHBondContact O-N 3.33Å; C2874-S2877 PolarHBondContact O-OG 3.11Å; C2874-F2929 HydrophobicContact CB-CD1 4.32Å; C2874-F2929 HydrophobicContact CB-CD2 4.31Å; C2874-F2929 HydrophobicContact CB-CE1 4.13Å; C2874-F2929 HydrophobicContact CB-CE2 4.31Å; C2874-F2929 HydrophobicContact CB-CG 4.32Å; C2874-F2929 HydrophobicContact CB-CZ 4.14Å; C2874-F2929 VanDerWaalsContact SG-CD2 3.54Å; C2874-F2929 WeakPolarHBondContact SG-CD2 3.19Å; C2874-F2929 VanDerWaalsContact SG-CE2 3.55Å; C2874-F2929 WeakPolarHBondContact SG-CE2 3.49Å |
| 2875 | N | 73.1 | Confident | 76.9 | Confident | 138.667 Ų | 138.667 | 66.5 Ų | 66.5 | 74% | 0.742 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.8 | -35 | 179.2 | -70.7 | -10.7 | 0 | 0 | 0 | 112.5 | Q2871 R2872 | Q2871-N2875 VanDerWaalsContact O-CG 3.29Å; Q2871-N2875 PolarHBondContact O-N 3.22Å; Q2871-N2875 PolarHBondContact O-OD1 3.21Å; R2872-N2875 PolarHBondContact O-N 3.28Å |
| 2876 | K | 73.6 | Confident | 77.3 | Confident | 72.6667 Ų | 72.6667 | 65 Ų | 65 | 32% | 0.316 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -87.3 | -5.9 | 175.7 | -66.5 | -167.2 | 175.9 | -170.8 | 0 | 113.9 | D2840 F2843 R2872 L2873 C2874 F2931 L2935 | D2840-K2876 IonicContact OD1-NZ 2.98Å; D2840-K2876 PolarHBondContact OD1-NZ 3.13Å; F2843-K2876 HydrophobicContact CD1-CD 3.94Å; F2843-K2876 HydrophobicContact CE1-CD 3.63Å; F2843-K2876 HydrophobicContact CZ-CD 4.3Å; R2872-K2876 PolarHBondContact O-N 3.1Å; R2872-K2876 VanDerWaalsContact O-N 3.09Å; L2873-K2876 PolarHBondContact O-N 3.03Å; C2874-K2876 VanDerWaalsContact C-N 3.27Å; C2874-K2876 PolarHBondContact O-N 3.26Å; K2876-F2931 HydrophobicContact CB-CD2 4.48Å; K2876-F2931 HydrophobicContact CB-CE2 3.95Å; K2876-L2935 WeakPolarHBondContact O-CD1 3.4Å |
| 2877 | S | 78.4 | Confident | 77.3 | Confident | 13 Ų | 13 | 58.9 Ų | 58.9 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -95.3 | 162.6 | 178.4 | 72.4 | 0 | 0 | 0 | 0 | 112.1 | L2873 C2874 F2929 A2930 | L2873-S2877 WeakPolarHBondContact O-CB 3.38Å; L2873-S2877 PolarHBondContact O-N 3.23Å; L2873-S2877 PolarHBondContact O-OG 3Å; C2874-S2877 VanDerWaalsContact C-OG 3.31Å; C2874-S2877 VanDerWaalsContact CA-OG 3.24Å; C2874-S2877 WeakPolarHBondContact CA-OG 3.4Å; C2874-S2877 PolarHBondContact O-N 3.33Å; C2874-S2877 PolarHBondContact O-OG 3.11Å; S2877-F2929 VanDerWaalsContact OG-CB 3.3Å; S2877-F2929 WeakPolarHBondContact OG-CB 3.4Å; S2877-F2929 VanDerWaalsContact OG-CD1 3.27Å; S2877-F2929 WeakPolarHBondContact OG-CD1 3.24Å; S2877-A2930 WeakPolarHBondContact CB-O 3.5Å |
| 2878 | H | 79.3 | Confident | 77.2 | Confident | 118.667 Ų | 118.667 | 54.8 Ų | 54.8 | 55% | 0.549 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.8 | 173.5 | -63.5 | -71.4 | 0 | 0 | 0 | 110.7 | V2880 F2929 A2930 | H2878-V2880 PolarHBondContact O-N 3.08Å; H2878-F2929 CarbonylContact O-C 3.53Å; H2878-F2929 VanDerWaalsContact O-CA 3.31Å; H2878-F2929 WeakPolarHBondContact O-CA 3.39Å; H2878-A2930 PolarHBondContact N-O 3.27Å; H2878-A2930 PolarHBondContact O-N 3.19Å |
| 2879 | L | 81.6 | Confident | 76.7 | Confident | 88 Ų | 88 | 54.5 Ų | 54.5 | 46% | 0.461 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 113.5 | 168.6 | 179.5 | 67.4 | 0 | 0 | 0 | 109.4 | M2882 H2927 F2929 | L2879-M2882 HydrophobicContact CD2-SD 4.42Å; L2879-H2927 HydrophobicContact CD1-CB 4.17Å; L2879-F2929 HydrophobicContact CB-CD1 4.09Å; L2879-F2929 HydrophobicContact CB-CE1 4.04Å; L2879-F2929 HydrophobicContact CD1-CD1 4.01Å; L2879-F2929 HydrophobicContact CD1-CE1 3.71Å; L2879-F2929 HydrophobicContact CD1-CE2 4.41Å; L2879-F2929 HydrophobicContact CD1-CG 4.49Å; L2879-F2929 HydrophobicContact CD1-CZ 3.97Å; L2879-F2929 HydrophobicContact CG-CE1 4.42Å |
| 2880 | V | 83.5 | Confident | 75.5 | Confident | 68.3333 Ų | 68.3333 | 53.9 Ų | 53.9 | 41% | 0.414 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -41.2 | -177.6 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | H2878 F2928 A2930 C2952 I2956 | H2878-V2880 PolarHBondContact O-N 3.08Å; V2880-F2928 PolarHBondContact N-O 3.01Å; V2880-A2930 HydrophobicContact CG2-CB 3.41Å; V2880-A2930 VanDerWaalsContact CG2-CB 3.43Å; V2880-C2952 HydrophobicContact CG1-CB 4.17Å; V2880-I2956 HydrophobicContact CG1-CD1 3.9Å |
| 2881 | H | 84.4 | Confident | 74.2 | Confident | 68.6667 Ų | 68.6667 | 54.3 Ų | 54.3 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 151.3 | -177.3 | -173.8 | 64.2 | 0 | 0 | 0 | 111.7 | F2928 I2956 | H2881-F2928 HydrophobicContact CB-CB 4.17Å; H2881-F2928 HydrophobicContact CB-CD2 4.08Å; H2881-F2928 HydrophobicContact CB-CG 4.37Å; H2881-F2928 AromaticContact CD2-CD2 3.82Å; H2881-F2928 AromaticContact CD2-CE2 3.9Å; H2881-F2928 PolarHBondContact N-O 3.05Å; H2881-F2928 WeakPolarHBondContact O-CD2 3.37Å; H2881-F2928 PolarHBondContact O-N 3.02Å; H2881-I2956 HydrophobicContact CB-CD1 3.55Å; H2881-I2956 HydrophobicContact CB-CG1 3.77Å; H2881-I2956 HydrophobicContact CB-CG2 4.45Å |
| 2882 | M | 85.6 | Confident | 73 | Confident | 108 Ų | 108 | 52.8 Ų | 52.8 | 53% | 0.532 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 141.1 | 172 | 69 | -179.1 | -174.3 | 0 | 0 | 110 | L2879 F2884 G2926 | L2879-M2882 HydrophobicContact CD2-SD 4.42Å; M2882-F2884 HydrophobicContact CB-CE2 4.1Å; M2882-F2884 HydrophobicContact CB-CZ 4.4Å; M2882-F2884 HydrophobicContact CE-CE2 4.43Å; M2882-F2884 HydrophobicContact CG-CE2 4.03Å; M2882-F2884 HydrophobicContact SD-CE2 3.91Å; M2882-G2926 WeakPolarHBondContact CA-O 3.32Å |
| 2883 | V | 83.3 | Confident | 71.7 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 139.3 | 177.8 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | G2925 G2926 F2928 V2961 H2962 | V2883-G2925 CarbonylContact O-C 3.42Å; V2883-G2925 VanDerWaalsContact O-CA 3.25Å; V2883-G2925 WeakPolarHBondContact O-CA 3.04Å; V2883-G2926 PolarHBondContact N-O 3.36Å; V2883-G2926 PolarHBondContact O-N 3.12Å; V2883-F2928 HydrophobicContact CG1-CE2 4.22Å; V2883-V2961 HydrophobicContact CG1-CB 3.8Å; V2883-V2961 HydrophobicContact CG1-CG1 4.14Å; V2883-V2961 HydrophobicContact CG1-CG2 3.52Å; V2883-V2961 VanDerWaalsContact CG1-CG2 3.48Å; V2883-V2961 HydrophobicContact CG2-CB 4.22Å; V2883-H2962 WeakPolarHBondContact CG2-NE2 3.11Å |
| 2884 | F | 81.7 | Confident | 70.1 | Confident | 81.3333 Ų | 81.3333 | 60.5 Ų | 60.5 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 130.4 | -179.5 | -63.6 | -88.9 | 0 | 0 | 0 | 109.4 | M2882 Y2918 H2927 H2962 | M2882-F2884 HydrophobicContact CB-CE2 4.1Å; M2882-F2884 HydrophobicContact CB-CZ 4.4Å; M2882-F2884 HydrophobicContact CE-CE2 4.43Å; M2882-F2884 HydrophobicContact CG-CE2 4.03Å; M2882-F2884 HydrophobicContact SD-CE2 3.91Å; F2884-Y2918 AromaticContact CE1-CE1 3.95Å; F2884-Y2918 HydrophobicContact CE1-CE1 3.95Å; F2884-Y2918 AromaticContact CE1-CZ 3.83Å; F2884-Y2918 WeakPolarHBondContact CE1-OH 3.39Å; F2884-Y2918 WeakPolarHBondContact CZ-OH 3.36Å; F2884-H2927 AromaticContact CZ-CE1 3.94Å; F2884-H2927 AromaticContact CZ-NE2 3.77Å; F2884-H2962 PolarHBondContact O-CE1 2.81Å; F2884-H2962 VanDerWaalsContact O-CE1 3.23Å |
| 2885 | T | 78.6 | Confident | 68.7 | Low | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130 | 174 | -168.6 | 0 | 0 | 0 | 0 | 109.3 | V2887 F2924 V2961 H2962 A2965 | T2885-V2887 PolarHBondContact O-N 2.95Å; T2885-F2924 HydrophobicContact CG2-CB 4.14Å; T2885-F2924 HydrophobicContact CG2-CD1 4.08Å; T2885-F2924 PolarHBondContact N-O 3.26Å; T2885-F2924 PolarHBondContact O-N 3.19Å; T2885-V2961 HydrophobicContact CG2-CG1 3.88Å; T2885-H2962 VanDerWaalsContact CB-ND1 3.31Å; T2885-H2962 WeakPolarHBondContact CB-ND1 3.35Å; T2885-H2962 PolarHBondContact OG1-ND1 3.11Å; T2885-A2965 HydrophobicContact CG2-CB 3.45Å; T2885-A2965 VanDerWaalsContact CG2-CB 3.45Å |
| 2886 | P | 76.7 | Confident | 67.4 | Low | 21.3333 Ų | 21.3333 | 66.2 Ų | 66.2 | 14% | 0.139 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 136.1 | 175.1 | 28.5 | -32.6 | 0 | 0 | 0 | 109.3 | P2922 Y2923 Y3001 | P2886-P2922 WeakPolarHBondContact CA-O 3.22Å; P2886-Y2923 HydrophobicContact CB-CD1 4.11Å; P2886-Y2923 HydrophobicContact CB-CE1 4.07Å; P2886-Y3001 WeakPolarHBondContact CD-OH 3.19Å; P2886-Y3001 HydrophobicContact CG-CD2 4.43Å; P2886-Y3001 HydrophobicContact CG-CE1 3.84Å; P2886-Y3001 HydrophobicContact CG-CE2 3.54Å; P2886-Y3001 VanDerWaalsContact CG-CE2 3.46Å; P2886-Y3001 VanDerWaalsContact CG-OH 3.27Å; P2886-Y3001 WeakPolarHBondContact CG-OH 3.4Å |
| 2887 | V | 72.4 | Confident | 66.4 | Low | 17.6667 Ų | 17.6667 | 71.1 Ų | 71.1 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | trans | -95.4 | 115.2 | 166.8 | -176.7 | 0 | 0 | 0 | 0 | 105.8 | T2885 D2889 F2919 P2922 F2924 F2968 H2969 | T2885-V2887 PolarHBondContact O-N 2.95Å; V2887-D2889 VanDerWaalsContact C-N 3.28Å; V2887-D2889 PolarHBondContact O-N 3.05Å; V2887-F2919 HydrophobicContact CB-CE2 3.86Å; V2887-F2919 HydrophobicContact CG1-CE2 4.49Å; V2887-F2919 HydrophobicContact CG2-CD2 4.22Å; V2887-F2919 HydrophobicContact CG2-CE2 3.75Å; V2887-P2922 PolarHBondContact N-O 3.1Å; V2887-F2924 HydrophobicContact CG2-CB 3.61Å; V2887-F2968 HydrophobicContact CG1-CD1 4.4Å; V2887-F2968 HydrophobicContact CG1-CE1 4.02Å; V2887-H2969 WeakPolarHBondContact CA-NE2 3.28Å; V2887-H2969 WeakPolarHBondContact CG1-NE2 3.27Å | ||
| 2888 | I | 67.5 | Low | 65.3 | Low | 22.6667 Ų | 22.6667 | 75.3 Ų | 75.3 | 12% | 0.116 | 42% | 0.419 | C | S | . | . | trans | -73.6 | 92.2 | 177.2 | -56.9 | 172.9 | 0 | 0 | 0 | 105.6 | P2890 H2969 F2994 F2998 Y3001 Y3002 L3263 | I2888-P2890 WeakPolarHBondContact O-CD 3.38Å; I2888-H2969 PolarHBondContact N-CE1 3.16Å; I2888-H2969 PolarHBondContact N-NE2 3.06Å; I2888-F2994 HydrophobicContact CB-CD2 4.4Å; I2888-F2994 HydrophobicContact CB-CE2 4Å; I2888-F2994 HydrophobicContact CG2-CD2 3.74Å; I2888-F2994 HydrophobicContact CG2-CE2 3.85Å; I2888-F2998 HydrophobicContact CD1-CB 4.49Å; I2888-F2998 HydrophobicContact CD1-CD2 4.43Å; I2888-Y3001 HydrophobicContact CD1-CD1 4.04Å; I2888-Y3001 HydrophobicContact CD1-CG 4.27Å; I2888-Y3002 HydrophobicContact CD1-CE2 4.45Å; I2888-L3263 HydrophobicContact CG2-CD1 4.45Å | ||
| 2889 | D | 60.4 | Low | 64.6 | Low | 42 Ų | 42 | 73 Ų | 73 | 23% | 0.225 | 42% | 0.416 | C | S | . | . | trans | -61.9 | 117 | -165.3 | -159.3 | -8.7 | 0 | 0 | 0 | 111.8 | V2887 S2891 T2893 Q2921 Y2989 | V2887-D2889 VanDerWaalsContact C-N 3.28Å; V2887-D2889 PolarHBondContact O-N 3.05Å; D2889-S2891 VanDerWaalsContact C-N 3.29Å; D2889-S2891 PolarHBondContact OD1-N 3.24Å; D2889-S2891 VanDerWaalsContact OD1-N 3.1Å; D2889-S2891 PolarHBondContact OD1-OG 2.89Å; D2889-S2891 VanDerWaalsContact OD2-O 3.1Å; D2889-T2893 PolarHBondContact OD2-OG1 3.23Å; D2889-Q2921 PolarHBondContact OD2-NE2 3.45Å; D2889-Y2989 WeakPolarHBondContact O-CE2 3.31Å; D2889-Y2989 PolarHBondContact O-OH 3.22Å | ||
| 2890 | P | 50.3 | Low | 64.2 | Low | 11 Ų | 11 | 73.1 Ų | 73.1 | 7% | 0.071 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -80.1 | -9.8 | 172.2 | 27.7 | -24.8 | 0 | 0 | 0 | 114 | I2888 I2972 F2985 Y2989 | I2888-P2890 WeakPolarHBondContact O-CD 3.38Å; P2890-I2972 HydrophobicContact CG-CG2 4.31Å; P2890-F2985 HydrophobicContact CB-CD1 3.56Å; P2890-F2985 VanDerWaalsContact CB-CD1 3.42Å; P2890-F2985 HydrophobicContact CB-CE1 3.26Å; P2890-F2985 HydrophobicContact CB-CG 4.41Å; P2890-F2985 HydrophobicContact CB-CZ 4.07Å; P2890-F2985 HydrophobicContact CG-CE1 4.36Å; P2890-Y2989 VanDerWaalsContact CA-CZ 3.42Å; P2890-Y2989 HydrophobicContact CB-CD1 4.36Å; P2890-Y2989 HydrophobicContact CB-CE1 4.04Å; P2890-Y2989 HydrophobicContact CB-CE2 4.28Å; P2890-Y2989 WeakPolarHBondContact O-CD2 3.35Å; P2890-Y2989 WeakPolarHBondContact O-CE2 3.43Å; P2890-Y2989 VanDerWaalsContact O-CG 3.24Å |
| 2891 | S | 48.2 | Very low | 64 | Low | 23.6667 Ų | 23.6667 | 72.4 Ų | 72.4 | 17% | 0.166 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -128.5 | 114.5 | -172.6 | 50.5 | 0 | 0 | 0 | 0 | 107.9 | D2889 T2893 | D2889-S2891 VanDerWaalsContact C-N 3.29Å; D2889-S2891 PolarHBondContact OD1-N 3.24Å; D2889-S2891 VanDerWaalsContact OD1-N 3.1Å; D2889-S2891 PolarHBondContact OD1-OG 2.89Å; D2889-S2891 VanDerWaalsContact OD2-O 3.1Å; S2891-T2893 WeakPolarHBondContact O-CG2 3.49Å; S2891-T2893 PolarHBondContact O-N 3.22Å; S2891-T2893 PolarHBondContact O-OG1 2.7Å; S2891-T2893 WeakPolarHBondContact OG-CG2 3.38Å |
| 2892 | G | 48.5 | Very low | 63.9 | Low | 68.3333 Ų | 68.3333 | 71.2 Ų | 71.2 | 70% | 0.704 | 42% | 0.422 | S | S | * | . | trans | -62.2 | 76.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | K2894 C2986 | G2892-K2894 PolarHBondContact O-N 3.2Å; G2892-K2894 VanDerWaalsContact O-N 3.12Å; G2892-C2986 PolarHBondContact N-SG 3.11Å; G2892-C2986 VanDerWaalsContact N-SG 3.44Å | ||
| 2893 | T | 44.8 | Very low | 63.7 | Low | 72 Ų | 72 | 68.9 Ų | 68.9 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | trans | -65.9 | 118.6 | -170.1 | 32.3 | 0 | 0 | 0 | 0 | 107.2 | D2889 S2891 K2895 | D2889-T2893 PolarHBondContact OD2-OG1 3.23Å; S2891-T2893 WeakPolarHBondContact O-CG2 3.49Å; S2891-T2893 PolarHBondContact O-N 3.22Å; S2891-T2893 PolarHBondContact O-OG1 2.7Å; S2891-T2893 WeakPolarHBondContact OG-CG2 3.38Å; T2893-K2895 PolarHBondContact O-N 3.18Å | ||
| 2894 | K | 43.9 | Very low | 63.6 | Low | 200 Ų | 200 | 72.6 Ų | 72.6 | 87% | 0.87 | 42% | 0.421 | S | S | * | . | trans | -47.7 | 132.4 | 171.1 | -69.9 | 178.5 | 176.8 | 178 | 0 | 107.6 | G2892 G2896 | G2892-K2894 PolarHBondContact O-N 3.2Å; G2892-K2894 VanDerWaalsContact O-N 3.12Å; K2894-G2896 VanDerWaalsContact C-N 3.31Å; K2894-G2896 PolarHBondContact O-N 2.93Å | ||
| 2895 | K | 46.8 | Very low | 63.4 | Low | 207.667 Ų | 207.667 | 70.5 Ų | 70.5 | 90% | 0.903 | 41% | 0.414 | S | S | * | . | trans | -45.2 | 91.5 | 173.3 | -72.3 | -179.7 | 175.7 | -179.5 | 0 | 110 | T2893 | T2893-K2895 PolarHBondContact O-N 3.18Š| ||
| 2896 | G | 46.2 | Very low | 63.3 | Low | 60.3333 Ų | 60.3333 | 76.1 Ų | 76.1 | 62% | 0.622 | 44% | 0.435 | S | S | * | . | trans | -78.6 | 134.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | K2894 S2898 | K2894-G2896 VanDerWaalsContact C-N 3.31Å; K2894-G2896 PolarHBondContact O-N 2.93Å; G2896-S2898 PolarHBondContact O-N 3.35Å | ||
| 2897 | N | 53 | Low | 62.9 | Low | 175.667 Ų | 175.667 | 80.1 Ų | 80.1 | 94% | 0.939 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -64.5 | -3.8 | -173.6 | -80.1 | -8.5 | 0 | 0 | 0 | 114.7 | ||
| 2898 | S | 54.9 | Low | 62.8 | Low | 101.667 Ų | 101.667 | 80.2 Ų | 80.2 | 71% | 0.711 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -143 | 119 | 179.1 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | G2896 | G2896-S2898 PolarHBondContact O-N 3.35Š|
| 2899 | S | 63.8 | Low | 62.8 | Low | 70.6667 Ų | 70.6667 | 82.5 Ų | 82.5 | 49% | 0.494 | 46% | 0.464 | S | S | . | . | trans | -57.9 | 131.8 | 165.3 | -83.2 | 0 | 0 | 0 | 0 | 110.6 | S2901 F2919 | S2899-S2901 PolarHBondContact O-N 3.36Å; S2899-F2919 WeakPolarHBondContact CB-O 3.26Å; S2899-F2919 PolarHBondContact OG-O 2.86Å | ||
| 2900 | P | 74.5 | Confident | 63.3 | Low | 90.6667 Ų | 90.6667 | 80.7 Ų | 80.7 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | trans | -65.9 | 129.8 | 176.1 | 25.9 | -31 | 0 | 0 | 0 | 110.4 | Y2918 F2919 | P2900-Y2918 WeakPolarHBondContact O-CA 3.41Å; P2900-F2919 HydrophobicContact CG-CB 3.98Å; P2900-F2919 PolarHBondContact O-N 3.11Å; P2900-F2919 VanDerWaalsContact O-N 3.14Å | ||
| 2901 | S | 79.1 | Confident | 64.5 | Low | 53.3333 Ų | 53.3333 | 80.4 Ų | 80.4 | 37% | 0.373 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.4 | 176.1 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | S2899 H2916 F2917 | S2899-S2901 PolarHBondContact O-N 3.36Å; S2901-H2916 WeakPolarHBondContact CB-NE2 3.4Å; S2901-F2917 CarbonylContact C-O 3.56Å; S2901-F2917 WeakPolarHBondContact CA-O 3.47Å |
| 2902 | A | 81 | Confident | 65.9 | Low | 42.6667 Ų | 42.6667 | 79.8 Ų | 79.8 | 35% | 0.353 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131.4 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | F2904 F2917 | A2902-F2904 HydrophobicContact CB-CE2 3.96Å; A2902-F2904 HydrophobicContact CB-CZ 4.35Å; A2902-F2917 PolarHBondContact N-O 3.22Å; A2902-F2917 PolarHBondContact O-N 3.17Å |
| 2903 | W | 81.5 | Confident | 67.5 | Low | 61 Ų | 61 | 76.5 Ų | 76.5 | 23% | 0.231 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.2 | -175.8 | -63.2 | 82.7 | 0 | 0 | 0 | 110.1 | E2867 L2870 Q2871 V2914 V2915 H2916 | E2867-W2903 HydrophobicContact CG-CZ2 4.38Å; L2870-W2903 HydrophobicContact CB-CD2 4.39Å; L2870-W2903 HydrophobicContact CB-CE3 4.23Å; L2870-W2903 HydrophobicContact CB-CZ3 4.23Å; L2870-W2903 HydrophobicContact CD1-CB 4.08Å; L2870-W2903 HydrophobicContact CD1-CD2 3.97Å; L2870-W2903 HydrophobicContact CD1-CE3 4.24Å; L2870-W2903 HydrophobicContact CD1-CG 3.9Å; Q2871-W2903 HydrophobicContact CG-CH2 4.22Å; Q2871-W2903 HydrophobicContact CG-CZ2 4.49Å; W2903-V2914 HydrophobicContact CE3-CG1 4Å; W2903-V2914 HydrophobicContact CZ3-CG1 4.16Å; W2903-V2915 CarbonylContact C-O 3.01Å; W2903-V2915 WeakPolarHBondContact CA-O 3.15Å; W2903-H2916 AromaticContact CD1-CD2 3.97Å; W2903-H2916 HydrophobicContact CD2-CB 4.13Å; W2903-H2916 AromaticContact CD2-CD2 3.57Å; W2903-H2916 AromaticContact CD2-CG 3.9Å; W2903-H2916 AromaticContact CE2-CD2 3.28Å; W2903-H2916 AromaticContact CE2-CE1 3.99Å; W2903-H2916 AromaticContact CE2-CG 3.77Å; W2903-H2916 AromaticContact CE2-NE2 3.49Å; W2903-H2916 HydrophobicContact CE3-CB 3.72Å; W2903-H2916 AromaticContact CE3-CG 3.9Å; W2903-H2916 HydrophobicContact CH2-CB 4.11Å; W2903-H2916 AromaticContact CH2-CD2 3.99Å; W2903-H2916 AromaticContact CH2-CE1 3.93Å; W2903-H2916 AromaticContact CH2-CG 3.69Å; W2903-H2916 AromaticContact CH2-ND1 3.64Å; W2903-H2916 HydrophobicContact CZ2-CB 4.43Å; W2903-H2916 AromaticContact CZ2-CD2 3.56Å; W2903-H2916 AromaticContact CZ2-CE1 3.53Å; W2903-H2916 VanDerWaalsContact CZ2-CE1 3.49Å; W2903-H2916 WeakPolarHBondContact CZ2-CE1 3.49Å; W2903-H2916 AromaticContact CZ2-CG 3.68Å; W2903-H2916 AromaticContact CZ2-ND1 3.65Å; W2903-H2916 AromaticContact CZ2-NE2 3.49Å; W2903-H2916 WeakPolarHBondContact CZ2-NE2 3.37Å; W2903-H2916 HydrophobicContact CZ3-CB 3.71Å; W2903-H2916 AromaticContact CZ3-CG 3.8Å; W2903-H2916 AromaticContact NE1-CD2 3.58Å; W2903-H2916 AromaticContact NE1-NE2 3.62Å |
| 2904 | F | 81.3 | Confident | 69.3 | Low | 100.333 Ų | 100.333 | 73.1 Ų | 73.1 | 44% | 0.44 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.2 | 177.5 | -60.1 | -89.4 | 0 | 0 | 0 | 109.1 | A2902 V2914 V2915 F2917 | A2902-F2904 HydrophobicContact CB-CE2 3.96Å; A2902-F2904 HydrophobicContact CB-CZ 4.35Å; F2904-V2914 CarbonylContact O-C 3.48Å; F2904-V2914 WeakPolarHBondContact O-CA 3.38Å; F2904-V2915 HydrophobicContact CB-CB 4.29Å; F2904-V2915 PolarHBondContact N-O 3.21Å; F2904-V2915 PolarHBondContact O-N 3.35Å; F2904-F2917 AromaticContact CD2-CD2 3.88Å; F2904-F2917 HydrophobicContact CD2-CD2 3.88Å; F2904-F2917 HydrophobicContact CD2-CE2 4.27Å; F2904-F2917 AromaticContact CE2-CD2 3.75Å; F2904-F2917 HydrophobicContact CE2-CD2 3.75Å; F2904-F2917 HydrophobicContact CE2-CE2 4.32Å |
| 2905 | L | 77.9 | Confident | 71.3 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 19% | 0.194 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.4 | -179.3 | -175.5 | 66.2 | 0 | 0 | 0 | 109.1 | L2850 W2854 F2865 L2873 F2912 M2913 V2914 | L2850-L2905 HydrophobicContact CD2-CD2 4.16Å; W2854-L2905 HydrophobicContact CH2-CD2 3.52Å; W2854-L2905 HydrophobicContact CH2-CG 3.86Å; W2854-L2905 HydrophobicContact CZ2-CD2 4.13Å; W2854-L2905 HydrophobicContact CZ3-CD2 4.21Å; W2854-L2905 HydrophobicContact CZ3-CG 4.34Å; F2865-L2905 HydrophobicContact CE2-CD2 4.04Å; F2865-L2905 HydrophobicContact CZ-CD2 4.1Å; L2873-L2905 HydrophobicContact CD2-CD1 4.09Å; L2905-F2912 HydrophobicContact CD1-CB 4.13Å; L2905-F2912 HydrophobicContact CD1-CD1 4.49Å; L2905-M2913 CarbonylContact C-O 3.58Å; L2905-M2913 WeakPolarHBondContact CA-O 3.31Å; L2905-V2914 HydrophobicContact CD1-CB 4.35Å; L2905-V2914 HydrophobicContact CD1-CG1 4.46Å; L2905-V2914 HydrophobicContact CD1-CG2 3.58Å; L2905-V2914 VanDerWaalsContact CD1-CG2 3.48Å |
| 2906 | R | 75.6 | Confident | 73.2 | Confident | 118.333 Ų | 118.333 | 55.6 Ų | 55.6 | 45% | 0.447 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.5 | 178.7 | -175.3 | 94.7 | -179.5 | -177.8 | -1.4 | 110.5 | F2912 M2913 L2951 F2955 | R2906-F2912 CarbonylContact O-C 3.59Å; R2906-F2912 WeakPolarHBondContact O-CA 3.47Å; R2906-M2913 HydrophobicContact CB-CB 4.46Å; R2906-M2913 PolarHBondContact N-O 3.17Å; R2906-M2913 PolarHBondContact O-N 3.16Å; R2906-L2951 HydrophobicContact CB-CD2 4.49Å; R2906-L2951 HydrophobicContact CG-CD1 4.16Å; R2906-L2951 HydrophobicContact CG-CD2 4.15Å; R2906-F2955 HydrophobicContact CG-CE2 4.37Å |
| 2907 | R | 70.1 | Confident | 75.1 | Confident | 106.333 Ų | 106.333 | 54.6 Ų | 54.6 | 40% | 0.401 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 142.5 | 175.4 | 177.4 | 179 | 162.8 | 114.1 | -0.8 | 111.8 | A2851 W2854 F2912 | A2851-R2907 PolarHBondContact O-NH1 3.28Å; W2854-R2907 HydrophobicContact CE3-CB 3.86Å; W2854-R2907 HydrophobicContact CE3-CG 4.31Å; W2854-R2907 HydrophobicContact CZ3-CB 3.75Å; R2907-F2912 HydrophobicContact CB-CD1 4.13Å; R2907-F2912 HydrophobicContact CB-CE1 4.24Å; R2907-F2912 HydrophobicContact CG-CD1 4.33Å; R2907-F2912 HydrophobicContact CG-CE1 4.11Å |
| 2908 | C | 69.8 | Low | 76.6 | Confident | 19.6667 Ų | 19.6667 | 48.5 Ų | 48.5 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 164.8 | 164 | -167.3 | 0 | 0 | 0 | 0 | 109 | D2910 G2911 R2947 L2948 L2951 | C2908-D2910 PolarHBondContact O-N 3.17Å; C2908-D2910 VanDerWaalsContact O-N 3.14Å; C2908-G2911 CarbonylContact C-O 3.57Å; C2908-G2911 WeakPolarHBondContact CA-O 3.2Å; C2908-G2911 PolarHBondContact N-O 3.21Å; C2908-G2911 PolarHBondContact O-N 2.99Å; C2908-G2911 VanDerWaalsContact O-N 3.16Å; C2908-R2947 VanDerWaalsContact SG-CB 3.54Å; C2908-R2947 WeakPolarHBondContact SG-CB 3.09Å; C2908-L2948 HydrophobicContact CB-CD1 4.26Å; C2908-L2951 HydrophobicContact CB-CD2 4.25Å |
| 2909 | T | 66.9 | Low | 77.7 | Confident | 71 Ų | 71 | 45.7 Ų | 45.7 | 44% | 0.436 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -25.7 | 171.4 | 46.6 | 0 | 0 | 0 | 0 | 112.4 | V2944 R2947 | T2909-V2944 VanDerWaalsContact OG1-CG1 3.26Å; T2909-V2944 WeakPolarHBondContact OG1-CG1 3.31Å; T2909-R2947 VanDerWaalsContact OG1-CD 3.28Å; T2909-R2947 WeakPolarHBondContact OG1-CD 3.42Å; T2909-R2947 PolarHBondContact OG1-NH1 3.23Å; T2909-R2947 VanDerWaalsContact OG1-NH1 3.08Å |
| 2910 | D | 70.3 | Confident | 78.4 | Confident | 4.33333 Ų | 4.33333 | 45.2 Ų | 45.2 | 2% | 0.023 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -4.4 | -172.2 | -66.4 | 3.6 | 0 | 0 | 0 | 113.4 | C2908 P2932 S2933 V2944 G2945 K2946 R2947 L2948 | C2908-D2910 PolarHBondContact O-N 3.17Å; C2908-D2910 VanDerWaalsContact O-N 3.14Å; D2910-P2932 CarbonylContact O-C 3.54Å; D2910-P2932 WeakPolarHBondContact O-CA 3.35Å; D2910-S2933 VanDerWaalsContact O-CB 3.31Å; D2910-S2933 WeakPolarHBondContact O-CB 3.28Å; D2910-S2933 PolarHBondContact O-N 3.07Å; D2910-S2933 PolarHBondContact O-OG 3.23Å; D2910-V2944 HydrophobicContact CB-CG1 3.96Å; D2910-V2944 WeakPolarHBondContact CB-O 3.42Å; D2910-V2944 WeakPolarHBondContact OD1-CA 3.16Å; D2910-V2944 WeakPolarHBondContact OD1-CB 3.48Å; D2910-V2944 WeakPolarHBondContact OD1-CG1 3.33Å; D2910-V2944 VanDerWaalsContact OD2-C 3.27Å; D2910-G2945 VanDerWaalsContact CG-CA 3.46Å; D2910-G2945 WeakPolarHBondContact OD1-CA 3.42Å; D2910-G2945 PolarHBondContact OD1-N 3.34Å; D2910-G2945 VanDerWaalsContact OD1-N 3.07Å; D2910-G2945 WeakPolarHBondContact OD2-CA 3.37Å; D2910-G2945 PolarHBondContact OD2-N 2.99Å; D2910-K2946 PolarHBondContact OD2-N 3.35Å; D2910-R2947 WeakPolarHBondContact OD2-CA 3.29Å; D2910-R2947 VanDerWaalsContact OD2-CB 3.24Å; D2910-R2947 WeakPolarHBondContact OD2-CB 3.43Å; D2910-R2947 PolarHBondContact OD2-N 3.13Å; D2910-L2948 HydrophobicContact CB-CB 3.8Å; D2910-L2948 PolarHBondContact OD2-N 3.45Å |
| 2911 | G | 75.4 | Confident | 78 | Confident | 4.33333 Ų | 4.33333 | 46.7 Ų | 46.7 | 5% | 0.045 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.9 | -159.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C2908 F2931 | C2908-G2911 CarbonylContact C-O 3.57Å; C2908-G2911 WeakPolarHBondContact CA-O 3.2Å; C2908-G2911 PolarHBondContact N-O 3.21Å; C2908-G2911 PolarHBondContact O-N 2.99Å; C2908-G2911 VanDerWaalsContact O-N 3.16Å; G2911-F2931 CarbonylContact C-O 3.53Å; G2911-F2931 WeakPolarHBondContact CA-O 3.31Å |
| 2912 | F | 78.4 | Confident | 77.6 | Confident | 9.66667 Ų | 9.66667 | 47 Ų | 47 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.8 | -178.7 | -53.7 | -80.9 | 0 | 0 | 0 | 111.4 | L2850 A2851 W2854 L2905 R2906 R2907 F2931 I2936 | L2850-F2912 HydrophobicContact CD2-CE1 4.21Å; L2850-F2912 HydrophobicContact CD2-CZ 4.21Å; L2850-F2912 HydrophobicContact CG-CE1 4.39Å; L2850-F2912 HydrophobicContact CG-CZ 4.44Å; A2851-F2912 HydrophobicContact CB-CZ 4.39Å; W2854-F2912 HydrophobicContact CE3-CD1 4.25Å; W2854-F2912 AromaticContact CE3-CE1 3.59Å; W2854-F2912 HydrophobicContact CE3-CE1 3.73Å; W2854-F2912 HydrophobicContact CE3-CZ 4.45Å; W2854-F2912 AromaticContact CZ3-CD1 3.66Å; W2854-F2912 HydrophobicContact CZ3-CD1 3.82Å; W2854-F2912 AromaticContact CZ3-CE1 3.64Å; W2854-F2912 HydrophobicContact CZ3-CE1 3.64Å; W2854-F2912 VanDerWaalsContact CZ3-CE1 3.47Å; L2905-F2912 HydrophobicContact CD1-CB 4.13Å; L2905-F2912 HydrophobicContact CD1-CD1 4.49Å; R2906-F2912 CarbonylContact O-C 3.59Å; R2906-F2912 WeakPolarHBondContact O-CA 3.47Å; R2907-F2912 HydrophobicContact CB-CD1 4.13Å; R2907-F2912 HydrophobicContact CB-CE1 4.24Å; R2907-F2912 HydrophobicContact CG-CD1 4.33Å; R2907-F2912 HydrophobicContact CG-CE1 4.11Å; F2912-F2931 HydrophobicContact CB-CB 4.31Å; F2912-F2931 AromaticContact CD2-CD1 3.94Å; F2912-F2931 HydrophobicContact CD2-CD1 3.96Å; F2912-F2931 PolarHBondContact N-O 3.24Å; F2912-F2931 PolarHBondContact O-N 3.19Å; F2912-I2936 HydrophobicContact CD2-CD1 4.36Å; F2912-I2936 HydrophobicContact CE2-CD1 3.72Å |
| 2913 | M | 81.7 | Confident | 77.6 | Confident | 0.666667 Ų | 0.666667 | 50.5 Ų | 50.5 | 0% | 0.003 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.3 | 168.7 | -176.9 | -178.7 | -176.4 | 0 | 0 | 108.9 | L2905 R2906 V2915 F2928 F2929 L2948 L2951 C2952 F2955 | L2905-M2913 CarbonylContact C-O 3.58Å; L2905-M2913 WeakPolarHBondContact CA-O 3.31Å; R2906-M2913 HydrophobicContact CB-CB 4.46Å; R2906-M2913 PolarHBondContact N-O 3.17Å; R2906-M2913 PolarHBondContact O-N 3.16Å; M2913-V2915 HydrophobicContact CE-CG2 3.89Å; M2913-V2915 HydrophobicContact CG-CG2 4.39Å; M2913-V2915 HydrophobicContact SD-CG2 4.44Å; M2913-F2928 HydrophobicContact CE-CB 4.15Å; M2913-F2928 HydrophobicContact CE-CD1 3.62Å; M2913-F2928 HydrophobicContact CE-CE1 4.47Å; M2913-F2928 HydrophobicContact CE-CG 4.36Å; M2913-F2929 CarbonylContact C-O 3.55Å; M2913-F2929 VanDerWaalsContact CA-O 3.29Å; M2913-F2929 WeakPolarHBondContact CA-O 3.2Å; M2913-F2929 WeakPolarHBondContact CG-O 3.07Å; M2913-L2948 HydrophobicContact CB-CD1 4.29Å; M2913-L2951 HydrophobicContact CB-CD2 3.9Å; M2913-L2951 HydrophobicContact CG-CD2 4.34Å; M2913-L2951 HydrophobicContact SD-CD2 3.84Å; M2913-L2951 VanDerWaalsContact SD-CD2 3.52Å; M2913-L2951 HydrophobicContact SD-CG 4.29Å; M2913-C2952 HydrophobicContact CE-CB 4.32Å; M2913-C2952 HydrophobicContact SD-CB 4.41Å; M2913-F2955 HydrophobicContact CE-CB 3.68Å; M2913-F2955 HydrophobicContact CE-CD2 4.36Å; M2913-F2955 HydrophobicContact CE-CG 4.17Å; M2913-F2955 HydrophobicContact SD-CB 4.16Å; M2913-F2955 HydrophobicContact SD-CD2 4Å; M2913-F2955 HydrophobicContact SD-CG 4.16Å |
| 2914 | V | 84.2 | Confident | 77.6 | Confident | 0.666667 Ų | 0.666667 | 49.7 Ų | 49.7 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.6 | 177.1 | -167.4 | 0 | 0 | 0 | 0 | 108.2 | L2873 W2903 F2904 L2905 F2929 | L2873-V2914 HydrophobicContact CD2-CG2 3.61Å; L2873-V2914 HydrophobicContact CG-CG2 4.28Å; W2903-V2914 HydrophobicContact CE3-CG1 4Å; W2903-V2914 HydrophobicContact CZ3-CG1 4.16Å; F2904-V2914 CarbonylContact O-C 3.48Å; F2904-V2914 WeakPolarHBondContact O-CA 3.38Å; L2905-V2914 HydrophobicContact CD1-CB 4.35Å; L2905-V2914 HydrophobicContact CD1-CG1 4.46Å; L2905-V2914 HydrophobicContact CD1-CG2 3.58Å; L2905-V2914 VanDerWaalsContact CD1-CG2 3.48Å; V2914-F2929 HydrophobicContact CB-CB 4.12Å; V2914-F2929 HydrophobicContact CB-CD2 4.46Å; V2914-F2929 HydrophobicContact CG2-CB 4.45Å; V2914-F2929 PolarHBondContact N-O 3.13Å; V2914-F2929 PolarHBondContact O-N 3.18Å |
| 2915 | V | 85.1 | Confident | 77.7 | Confident | 9.66667 Ų | 9.66667 | 45 Ų | 45 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.8 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 109 | W2903 F2904 M2913 F2917 H2927 F2928 | W2903-V2915 CarbonylContact C-O 3.01Å; W2903-V2915 WeakPolarHBondContact CA-O 3.15Å; F2904-V2915 HydrophobicContact CB-CB 4.29Å; F2904-V2915 PolarHBondContact N-O 3.21Å; F2904-V2915 PolarHBondContact O-N 3.35Å; M2913-V2915 HydrophobicContact CE-CG2 3.89Å; M2913-V2915 HydrophobicContact CG-CG2 4.39Å; M2913-V2915 HydrophobicContact SD-CG2 4.44Å; V2915-F2917 HydrophobicContact CG1-CD2 3.98Å; V2915-F2917 HydrophobicContact CG1-CE2 3.48Å; V2915-F2917 VanDerWaalsContact CG1-CE2 3.47Å; V2915-F2917 HydrophobicContact CG1-CZ 3.88Å; V2915-H2927 CarbonylContact C-O 3.38Å; V2915-H2927 VanDerWaalsContact CA-O 3.3Å; V2915-H2927 WeakPolarHBondContact CA-O 3.4Å; V2915-F2928 HydrophobicContact CB-CD1 4.31Å; V2915-F2928 HydrophobicContact CB-CE1 4.48Å; V2915-F2928 HydrophobicContact CG1-CD1 3.78Å; V2915-F2928 HydrophobicContact CG1-CE1 3.63Å; V2915-F2928 HydrophobicContact CG1-CG 4.38Å; V2915-F2928 HydrophobicContact CG1-CZ 4.1Å; V2915-F2928 HydrophobicContact CG2-CD1 3.61Å; V2915-F2928 HydrophobicContact CG2-CE1 4.02Å; V2915-F2928 HydrophobicContact CG2-CG 4.47Å |
| 2916 | H | 86.7 | Confident | 78.1 | Confident | 28.6667 Ų | 28.6667 | 43.2 Ų | 43.2 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 110 | -179.8 | 177.2 | -145.7 | 0 | 0 | 0 | 109.8 | S2901 W2903 Y2918 G2926 H2927 | S2901-H2916 WeakPolarHBondContact CB-NE2 3.4Å; W2903-H2916 AromaticContact CD1-CD2 3.97Å; W2903-H2916 HydrophobicContact CD2-CB 4.13Å; W2903-H2916 AromaticContact CD2-CD2 3.57Å; W2903-H2916 AromaticContact CD2-CG 3.9Å; W2903-H2916 AromaticContact CE2-CD2 3.28Å; W2903-H2916 AromaticContact CE2-CE1 3.99Å; W2903-H2916 AromaticContact CE2-CG 3.77Å; W2903-H2916 AromaticContact CE2-NE2 3.49Å; W2903-H2916 HydrophobicContact CE3-CB 3.72Å; W2903-H2916 AromaticContact CE3-CG 3.9Å; W2903-H2916 HydrophobicContact CH2-CB 4.11Å; W2903-H2916 AromaticContact CH2-CD2 3.99Å; W2903-H2916 AromaticContact CH2-CE1 3.93Å; W2903-H2916 AromaticContact CH2-CG 3.69Å; W2903-H2916 AromaticContact CH2-ND1 3.64Å; W2903-H2916 HydrophobicContact CZ2-CB 4.43Å; W2903-H2916 AromaticContact CZ2-CD2 3.56Å; W2903-H2916 AromaticContact CZ2-CE1 3.53Å; W2903-H2916 VanDerWaalsContact CZ2-CE1 3.49Å; W2903-H2916 WeakPolarHBondContact CZ2-CE1 3.49Å; W2903-H2916 AromaticContact CZ2-CG 3.68Å; W2903-H2916 AromaticContact CZ2-ND1 3.65Å; W2903-H2916 AromaticContact CZ2-NE2 3.49Å; W2903-H2916 WeakPolarHBondContact CZ2-NE2 3.37Å; W2903-H2916 HydrophobicContact CZ3-CB 3.71Å; W2903-H2916 AromaticContact CZ3-CG 3.8Å; W2903-H2916 AromaticContact NE1-CD2 3.58Å; W2903-H2916 AromaticContact NE1-NE2 3.62Å; H2916-Y2918 AromaticContact CE1-CD1 3.95Å; H2916-G2926 CarbonylContact O-C 3.36Å; H2916-G2926 WeakPolarHBondContact O-CA 3.25Å; H2916-H2927 HydrophobicContact CB-CB 4.47Å; H2916-H2927 PolarHBondContact N-O 3.1Å; H2916-H2927 PolarHBondContact O-N 3.05Å |
| 2917 | F | 86.6 | Confident | 78.7 | Confident | 39.3333 Ų | 39.3333 | 39.2 Ų | 39.2 | 17% | 0.173 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.1 | 170.3 | -70.5 | -74.3 | 0 | 0 | 0 | 110 | S2901 A2902 F2904 V2915 F2924 G2925 F2928 V2961 | S2901-F2917 CarbonylContact C-O 3.56Å; S2901-F2917 WeakPolarHBondContact CA-O 3.47Å; A2902-F2917 PolarHBondContact N-O 3.22Å; A2902-F2917 PolarHBondContact O-N 3.17Å; F2904-F2917 AromaticContact CD2-CD2 3.88Å; F2904-F2917 HydrophobicContact CD2-CD2 3.88Å; F2904-F2917 HydrophobicContact CD2-CE2 4.27Å; F2904-F2917 AromaticContact CE2-CD2 3.75Å; F2904-F2917 HydrophobicContact CE2-CD2 3.75Å; F2904-F2917 HydrophobicContact CE2-CE2 4.32Å; V2915-F2917 HydrophobicContact CG1-CD2 3.98Å; V2915-F2917 HydrophobicContact CG1-CE2 3.48Å; V2915-F2917 VanDerWaalsContact CG1-CE2 3.47Å; V2915-F2917 HydrophobicContact CG1-CZ 3.88Å; F2917-F2924 HydrophobicContact CB-CE2 4.2Å; F2917-F2924 HydrophobicContact CB-CZ 4.29Å; F2917-F2924 HydrophobicContact CD1-CE1 4.36Å; F2917-F2924 HydrophobicContact CD1-CE2 4.35Å; F2917-F2924 AromaticContact CD1-CZ 3.76Å; F2917-F2924 HydrophobicContact CD1-CZ 3.76Å; F2917-F2924 HydrophobicContact CE1-CZ 4.4Å; F2917-F2924 HydrophobicContact CG-CZ 4.29Å; F2917-G2925 WeakPolarHBondContact CA-O 3.43Å; F2917-F2928 HydrophobicContact CZ-CZ 4.26Å; F2917-V2961 HydrophobicContact CE1-CG2 3.95Å |
| 2918 | Y | 83.5 | Confident | 79.5 | Confident | 47.6667 Ų | 47.6667 | 34.2 Ų | 34.2 | 19% | 0.187 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.6 | -178.7 | 68.6 | -74.2 | 0 | 0 | 0 | 111 | F2884 P2900 H2916 F2924 G2925 H2927 | F2884-Y2918 AromaticContact CE1-CE1 3.95Å; F2884-Y2918 HydrophobicContact CE1-CE1 3.95Å; F2884-Y2918 AromaticContact CE1-CZ 3.83Å; F2884-Y2918 WeakPolarHBondContact CE1-OH 3.39Å; F2884-Y2918 WeakPolarHBondContact CZ-OH 3.36Å; P2900-Y2918 WeakPolarHBondContact O-CA 3.41Å; H2916-Y2918 AromaticContact CE1-CD1 3.95Å; Y2918-F2924 WeakPolarHBondContact O-CD2 3.31Å; Y2918-G2925 WeakPolarHBondContact CD1-O 3.5Å; Y2918-G2925 PolarHBondContact N-O 3.04Å; Y2918-G2925 PolarHBondContact O-N 3.29Å; Y2918-H2927 AromaticContact CD1-ND1 3.96Å; Y2918-H2927 AromaticContact CE1-CE1 3.34Å; Y2918-H2927 WeakPolarHBondContact CE1-CE1 3.14Å; Y2918-H2927 AromaticContact CE1-ND1 3.21Å; Y2918-H2927 WeakPolarHBondContact CE1-ND1 3.34Å; Y2918-H2927 AromaticContact CZ-CE1 3.55Å; Y2918-H2927 AromaticContact CZ-ND1 3.91Å; Y2918-H2927 PolarHBondContact OH-CE1 3.02Å |
| 2919 | F | 78.9 | Confident | 80.3 | Confident | 44 Ų | 44 | 34.6 Ų | 34.6 | 19% | 0.193 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 110.2 | 174.2 | -177.7 | -110.2 | 0 | 0 | 0 | 110.4 | V2887 S2899 P2900 Q2921 Y2923 F2924 | V2887-F2919 HydrophobicContact CB-CE2 3.86Å; V2887-F2919 HydrophobicContact CG1-CE2 4.49Å; V2887-F2919 HydrophobicContact CG2-CD2 4.22Å; V2887-F2919 HydrophobicContact CG2-CE2 3.75Å; S2899-F2919 WeakPolarHBondContact CB-O 3.26Å; S2899-F2919 PolarHBondContact OG-O 2.86Å; P2900-F2919 HydrophobicContact CG-CB 3.98Å; P2900-F2919 PolarHBondContact O-N 3.11Å; P2900-F2919 VanDerWaalsContact O-N 3.14Å; F2919-Q2921 HydrophobicContact CE1-CB 4.21Å; F2919-Q2921 HydrophobicContact CZ-CB 4.33Å; F2919-Q2921 HydrophobicContact CZ-CG 4.5Å; F2919-Y2923 WeakPolarHBondContact CD2-O 3.47Å; F2919-F2924 HydrophobicContact CD2-CB 4.26Å |
| 2920 | S | 76.8 | Confident | 81 | Confident | 60 Ų | 60 | 31.7 Ų | 31.7 | 42% | 0.42 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 98.4 | 173.6 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | Y2923 | S2920-Y2923 CarbonylContact C-O 3.58Å; S2920-Y2923 PolarHBondContact N-O 3.25Å; S2920-Y2923 WeakPolarHBondContact O-CA 3.39Å; S2920-Y2923 PolarHBondContact O-N 3.19Å; S2920-Y2923 VanDerWaalsContact O-O 3.11Å |
| 2921 | Q | 67.4 | Low | 81.5 | Confident | 121.333 Ų | 121.333 | 31.7 Ų | 31.7 | 57% | 0.567 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.4 | 127.3 | -171.9 | -170.5 | -179.6 | 20.2 | 0 | 0 | 111.7 | D2889 F2919 | D2889-Q2921 PolarHBondContact OD2-NE2 3.45Å; F2919-Q2921 HydrophobicContact CE1-CB 4.21Å; F2919-Q2921 HydrophobicContact CZ-CB 4.33Å; F2919-Q2921 HydrophobicContact CZ-CG 4.5Å |
| 2922 | P | 70.8 | Confident | 81.4 | Confident | 60.3333 Ų | 60.3333 | 32.9 Ų | 32.9 | 39% | 0.392 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -92.1 | 8.7 | 5.5 | 37.2 | -37.2 | 0 | 0 | 0 | 115.4 | P2886 V2887 | P2886-P2922 WeakPolarHBondContact CA-O 3.22Å; V2887-P2922 PolarHBondContact N-O 3.1Å |
| 2923 | Y | 80.2 | Confident | 81 | Confident | 116.667 Ų | 116.667 | 33.4 Ų | 33.4 | 46% | 0.458 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 135.2 | -169.7 | -58.3 | -76.2 | 0 | 0 | 0 | 113.5 | P2886 F2919 S2920 | P2886-Y2923 HydrophobicContact CB-CD1 4.11Å; P2886-Y2923 HydrophobicContact CB-CE1 4.07Å; F2919-Y2923 WeakPolarHBondContact CD2-O 3.47Å; S2920-Y2923 CarbonylContact C-O 3.58Å; S2920-Y2923 PolarHBondContact N-O 3.25Å; S2920-Y2923 WeakPolarHBondContact O-CA 3.39Å; S2920-Y2923 PolarHBondContact O-N 3.19Å; S2920-Y2923 VanDerWaalsContact O-O 3.11Å |
| 2924 | F | 82.8 | Confident | 80.3 | Confident | 44.6667 Ų | 44.6667 | 36.2 Ų | 36.2 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 122 | 158.2 | 177 | -118.6 | 0 | 0 | 0 | 108.6 | T2885 V2887 F2917 Y2918 F2919 V2961 F2964 | T2885-F2924 HydrophobicContact CG2-CB 4.14Å; T2885-F2924 HydrophobicContact CG2-CD1 4.08Å; T2885-F2924 PolarHBondContact N-O 3.26Å; T2885-F2924 PolarHBondContact O-N 3.19Å; V2887-F2924 HydrophobicContact CG2-CB 3.61Å; F2917-F2924 HydrophobicContact CB-CE2 4.2Å; F2917-F2924 HydrophobicContact CB-CZ 4.29Å; F2917-F2924 HydrophobicContact CD1-CE1 4.36Å; F2917-F2924 HydrophobicContact CD1-CE2 4.35Å; F2917-F2924 AromaticContact CD1-CZ 3.76Å; F2917-F2924 HydrophobicContact CD1-CZ 3.76Å; F2917-F2924 HydrophobicContact CE1-CZ 4.4Å; F2917-F2924 HydrophobicContact CG-CZ 4.29Å; Y2918-F2924 WeakPolarHBondContact O-CD2 3.31Å; F2919-F2924 HydrophobicContact CD2-CB 4.26Å; F2924-V2961 HydrophobicContact CD1-CG1 3.78Å; F2924-V2961 HydrophobicContact CE1-CG1 3.8Å; F2924-F2964 HydrophobicContact CD1-CD1 4.41Å; F2924-F2964 AromaticContact CE1-CD1 3.88Å; F2924-F2964 HydrophobicContact CE1-CD1 4Å; F2924-F2964 AromaticContact CE1-CE1 3.98Å; F2924-F2964 HydrophobicContact CE1-CE1 4.1Å; F2924-F2964 HydrophobicContact CZ-CE1 4.42Å |
| 2925 | G | 82.9 | Confident | 79.4 | Confident | 0.333333 Ų | 0.333333 | 40.3 Ų | 40.3 | 0% | 0.003 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V2883 F2917 Y2918 | V2883-G2925 CarbonylContact O-C 3.42Å; V2883-G2925 VanDerWaalsContact O-CA 3.25Å; V2883-G2925 WeakPolarHBondContact O-CA 3.04Å; F2917-G2925 WeakPolarHBondContact CA-O 3.43Å; Y2918-G2925 WeakPolarHBondContact CD1-O 3.5Å; Y2918-G2925 PolarHBondContact N-O 3.04Å; Y2918-G2925 PolarHBondContact O-N 3.29Å |
| 2926 | G | 86.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 123.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M2882 V2883 H2916 | M2882-G2926 WeakPolarHBondContact CA-O 3.32Å; V2883-G2926 PolarHBondContact N-O 3.36Å; V2883-G2926 PolarHBondContact O-N 3.12Å; H2916-G2926 CarbonylContact O-C 3.36Å; H2916-G2926 WeakPolarHBondContact O-CA 3.25Å |
| 2927 | H | 87.5 | Confident | 76.9 | Confident | 33.6667 Ų | 33.6667 | 42.7 Ų | 42.7 | 16% | 0.156 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.7 | 172.4 | -67.2 | 111.5 | 0 | 0 | 0 | 110.9 | L2879 F2884 V2915 H2916 Y2918 F2929 | L2879-H2927 HydrophobicContact CD1-CB 4.17Å; F2884-H2927 AromaticContact CZ-CE1 3.94Å; F2884-H2927 AromaticContact CZ-NE2 3.77Å; V2915-H2927 CarbonylContact C-O 3.38Å; V2915-H2927 VanDerWaalsContact CA-O 3.3Å; V2915-H2927 WeakPolarHBondContact CA-O 3.4Å; H2916-H2927 HydrophobicContact CB-CB 4.47Å; H2916-H2927 PolarHBondContact N-O 3.1Å; H2916-H2927 PolarHBondContact O-N 3.05Å; Y2918-H2927 AromaticContact CD1-ND1 3.96Å; Y2918-H2927 AromaticContact CE1-CE1 3.34Å; Y2918-H2927 WeakPolarHBondContact CE1-CE1 3.14Å; Y2918-H2927 AromaticContact CE1-ND1 3.21Å; Y2918-H2927 WeakPolarHBondContact CE1-ND1 3.34Å; Y2918-H2927 AromaticContact CZ-CE1 3.55Å; Y2918-H2927 AromaticContact CZ-ND1 3.91Å; Y2918-H2927 PolarHBondContact OH-CE1 3.02Å; H2927-F2929 HydrophobicContact CB-CD2 4.19Å; H2927-F2929 HydrophobicContact CB-CE2 3.42Å; H2927-F2929 VanDerWaalsContact CB-CE2 3.42Å; H2927-F2929 HydrophobicContact CB-CZ 3.87Å |
| 2928 | F | 87.8 | Confident | 75.5 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 116.4 | -178.2 | -58.7 | -102.6 | 0 | 0 | 0 | 109.1 | V2880 H2881 V2883 M2913 V2915 F2917 I2956 C2959 | V2880-F2928 PolarHBondContact N-O 3.01Å; H2881-F2928 HydrophobicContact CB-CB 4.17Å; H2881-F2928 HydrophobicContact CB-CD2 4.08Å; H2881-F2928 HydrophobicContact CB-CG 4.37Å; H2881-F2928 AromaticContact CD2-CD2 3.82Å; H2881-F2928 AromaticContact CD2-CE2 3.9Å; H2881-F2928 PolarHBondContact N-O 3.05Å; H2881-F2928 WeakPolarHBondContact O-CD2 3.37Å; H2881-F2928 PolarHBondContact O-N 3.02Å; V2883-F2928 HydrophobicContact CG1-CE2 4.22Å; M2913-F2928 HydrophobicContact CE-CB 4.15Å; M2913-F2928 HydrophobicContact CE-CD1 3.62Å; M2913-F2928 HydrophobicContact CE-CE1 4.47Å; M2913-F2928 HydrophobicContact CE-CG 4.36Å; V2915-F2928 HydrophobicContact CB-CD1 4.31Å; V2915-F2928 HydrophobicContact CB-CE1 4.48Å; V2915-F2928 HydrophobicContact CG1-CD1 3.78Å; V2915-F2928 HydrophobicContact CG1-CE1 3.63Å; V2915-F2928 HydrophobicContact CG1-CG 4.38Å; V2915-F2928 HydrophobicContact CG1-CZ 4.1Å; V2915-F2928 HydrophobicContact CG2-CD1 3.61Å; V2915-F2928 HydrophobicContact CG2-CE1 4.02Å; V2915-F2928 HydrophobicContact CG2-CG 4.47Å; F2917-F2928 HydrophobicContact CZ-CZ 4.26Å; F2928-I2956 HydrophobicContact CD1-CG1 4.34Å; F2928-I2956 HydrophobicContact CG-CG1 4.33Å; F2928-C2959 HydrophobicContact CE1-CB 4.39Å; F2928-C2959 HydrophobicContact CZ-CB 4.07Å |
| 2929 | F | 85.1 | Confident | 73.9 | Confident | 27.6667 Ų | 27.6667 | 48.3 Ų | 48.3 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.1 | -176.8 | -61.2 | -87.4 | 0 | 0 | 0 | 111.1 | C2874 S2877 H2878 L2879 M2913 V2914 H2927 | C2874-F2929 HydrophobicContact CB-CD1 4.32Å; C2874-F2929 HydrophobicContact CB-CD2 4.31Å; C2874-F2929 HydrophobicContact CB-CE1 4.13Å; C2874-F2929 HydrophobicContact CB-CE2 4.31Å; C2874-F2929 HydrophobicContact CB-CG 4.32Å; C2874-F2929 HydrophobicContact CB-CZ 4.14Å; C2874-F2929 VanDerWaalsContact SG-CD2 3.54Å; C2874-F2929 WeakPolarHBondContact SG-CD2 3.19Å; C2874-F2929 VanDerWaalsContact SG-CE2 3.55Å; C2874-F2929 WeakPolarHBondContact SG-CE2 3.49Å; S2877-F2929 VanDerWaalsContact OG-CB 3.3Å; S2877-F2929 WeakPolarHBondContact OG-CB 3.4Å; S2877-F2929 VanDerWaalsContact OG-CD1 3.27Å; S2877-F2929 WeakPolarHBondContact OG-CD1 3.24Å; H2878-F2929 CarbonylContact O-C 3.53Å; H2878-F2929 VanDerWaalsContact O-CA 3.31Å; H2878-F2929 WeakPolarHBondContact O-CA 3.39Å; L2879-F2929 HydrophobicContact CB-CD1 4.09Å; L2879-F2929 HydrophobicContact CB-CE1 4.04Å; L2879-F2929 HydrophobicContact CD1-CD1 4.01Å; L2879-F2929 HydrophobicContact CD1-CE1 3.71Å; L2879-F2929 HydrophobicContact CD1-CE2 4.41Å; L2879-F2929 HydrophobicContact CD1-CG 4.49Å; L2879-F2929 HydrophobicContact CD1-CZ 3.97Å; L2879-F2929 HydrophobicContact CG-CE1 4.42Å; M2913-F2929 CarbonylContact C-O 3.55Å; M2913-F2929 VanDerWaalsContact CA-O 3.29Å; M2913-F2929 WeakPolarHBondContact CA-O 3.2Å; M2913-F2929 WeakPolarHBondContact CG-O 3.07Å; V2914-F2929 HydrophobicContact CB-CB 4.12Å; V2914-F2929 HydrophobicContact CB-CD2 4.46Å; V2914-F2929 HydrophobicContact CG2-CB 4.45Å; V2914-F2929 PolarHBondContact N-O 3.13Å; V2914-F2929 PolarHBondContact O-N 3.18Å; H2927-F2929 HydrophobicContact CB-CD2 4.19Å; H2927-F2929 HydrophobicContact CB-CE2 3.42Å; H2927-F2929 VanDerWaalsContact CB-CE2 3.42Å; H2927-F2929 HydrophobicContact CB-CZ 3.87Å |
| 2930 | A | 83.3 | Confident | 72.6 | Confident | 10.6667 Ų | 10.6667 | 51.2 Ų | 51.2 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | S2877 H2878 V2880 L2948 | S2877-A2930 WeakPolarHBondContact CB-O 3.5Å; H2878-A2930 PolarHBondContact N-O 3.27Å; H2878-A2930 PolarHBondContact O-N 3.19Å; V2880-A2930 HydrophobicContact CG2-CB 3.41Å; V2880-A2930 VanDerWaalsContact CG2-CB 3.43Å; A2930-L2948 HydrophobicContact CB-CD2 4.02Å; A2930-L2948 HydrophobicContact CB-CG 4.23Å |
| 2931 | F | 79.1 | Confident | 71.3 | Confident | 2.66667 Ų | 2.66667 | 55 Ų | 55 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 96.8 | -178.1 | -170.7 | -85 | 0 | 0 | 0 | 109.4 | F2843 L2873 K2876 G2911 F2912 L2935 I2936 | F2843-F2931 HydrophobicContact CE1-CE2 4.48Å; F2843-F2931 HydrophobicContact CE1-CZ 4.37Å; F2843-F2931 HydrophobicContact CZ-CE2 4.48Å; L2873-F2931 HydrophobicContact CD1-CB 4.47Å; L2873-F2931 HydrophobicContact CD1-CD1 4.19Å; L2873-F2931 HydrophobicContact CD1-CD2 3.76Å; L2873-F2931 HydrophobicContact CD1-CE1 4.25Å; L2873-F2931 HydrophobicContact CD1-CE2 3.89Å; L2873-F2931 HydrophobicContact CD1-CG 3.98Å; L2873-F2931 HydrophobicContact CD1-CZ 4.22Å; L2873-F2931 HydrophobicContact CG-CD2 4.43Å; K2876-F2931 HydrophobicContact CB-CD2 4.48Å; K2876-F2931 HydrophobicContact CB-CE2 3.95Å; G2911-F2931 CarbonylContact C-O 3.53Å; G2911-F2931 WeakPolarHBondContact CA-O 3.31Å; F2912-F2931 HydrophobicContact CB-CB 4.31Å; F2912-F2931 AromaticContact CD2-CD1 3.94Å; F2912-F2931 HydrophobicContact CD2-CD1 3.96Å; F2912-F2931 PolarHBondContact N-O 3.24Å; F2912-F2931 PolarHBondContact O-N 3.19Å; F2931-L2935 HydrophobicContact CD1-CD1 4.48Å; F2931-L2935 HydrophobicContact CD2-CD1 4Å; F2931-L2935 HydrophobicContact CE1-CB 3.96Å; F2931-L2935 HydrophobicContact CE1-CD1 4.25Å; F2931-L2935 HydrophobicContact CE2-CB 4.29Å; F2931-L2935 HydrophobicContact CE2-CD1 3.81Å; F2931-L2935 HydrophobicContact CG-CD1 4.42Å; F2931-L2935 HydrophobicContact CZ-CB 3.71Å; F2931-L2935 HydrophobicContact CZ-CD1 4.06Å; F2931-L2935 HydrophobicContact CZ-CG 4.47Å; F2931-I2936 HydrophobicContact CD1-CD1 4.26Å; F2931-I2936 HydrophobicContact CD1-CG1 4.45Å; F2931-I2936 HydrophobicContact CE1-CD1 3.58Å; F2931-I2936 VanDerWaalsContact CE1-CD1 3.43Å; F2931-I2936 HydrophobicContact CE1-CG1 3.58Å; F2931-I2936 HydrophobicContact CZ-CD1 4.25Å; F2931-I2936 HydrophobicContact CZ-CG1 4.17Å |
| 2932 | P | 75.2 | Confident | 70.5 | Confident | 30.3333 Ų | 30.3333 | 57.3 Ų | 57.3 | 20% | 0.197 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 147.6 | -177.6 | 25.6 | -32.9 | 0 | 0 | 0 | 112.9 | D2910 S2934 L2935 L2948 | D2910-P2932 CarbonylContact O-C 3.54Å; D2910-P2932 WeakPolarHBondContact O-CA 3.35Å; P2932-S2934 PolarHBondContact O-N 2.85Å; P2932-S2934 VanDerWaalsContact O-N 3.16Å; P2932-L2935 HydrophobicContact CG-CD1 3.85Å; P2932-L2935 HydrophobicContact CG-CG 4.08Å; P2932-L2935 WeakPolarHBondContact O-CB 3.42Å; P2932-L2935 PolarHBondContact O-N 3.24Å; P2932-L2935 VanDerWaalsContact O-N 3.16Å; P2932-L2948 HydrophobicContact CB-CD2 4.47Å |
| 2933 | S | 69.9 | Low | 69.7 | Low | 20 Ų | 20 | 57.6 Ų | 57.6 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -61.9 | -23.4 | -179.2 | 57 | 0 | 0 | 0 | 0 | 114 | D2910 L2935 I2936 | D2910-S2933 VanDerWaalsContact O-CB 3.31Å; D2910-S2933 WeakPolarHBondContact O-CB 3.28Å; D2910-S2933 PolarHBondContact O-N 3.07Å; D2910-S2933 PolarHBondContact O-OG 3.23Å; S2933-L2935 PolarHBondContact O-N 3.32Å; S2933-L2935 VanDerWaalsContact O-N 3.16Å; S2933-I2936 PolarHBondContact O-N 3.15Å; S2933-I2936 VanDerWaalsContact O-N 3.1Å |
| 2934 | S | 66.3 | Low | 68.4 | Low | 60 Ų | 60 | 53.8 Ų | 53.8 | 42% | 0.42 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -56.8 | -27.9 | 174.1 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | P2932 I2936 G2937 I2940 | P2932-S2934 PolarHBondContact O-N 2.85Å; P2932-S2934 VanDerWaalsContact O-N 3.16Å; S2934-I2936 VanDerWaalsContact C-N 3.27Å; S2934-I2936 PolarHBondContact O-N 3.27Å; S2934-G2937 PolarHBondContact O-N 3.25Å; S2934-I2940 VanDerWaalsContact CB-CD1 3.49Å |
| 2935 | L | 64.7 | Low | 67.2 | Low | 87.6667 Ų | 87.6667 | 54.3 Ų | 54.3 | 46% | 0.459 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -74.8 | -13.1 | 178.7 | -65.1 | 171.3 | 0 | 0 | 0 | 113.6 | K2876 F2931 P2932 S2933 | K2876-L2935 WeakPolarHBondContact O-CD1 3.4Å; F2931-L2935 HydrophobicContact CD1-CD1 4.48Å; F2931-L2935 HydrophobicContact CD2-CD1 4Å; F2931-L2935 HydrophobicContact CE1-CB 3.96Å; F2931-L2935 HydrophobicContact CE1-CD1 4.25Å; F2931-L2935 HydrophobicContact CE2-CB 4.29Å; F2931-L2935 HydrophobicContact CE2-CD1 3.81Å; F2931-L2935 HydrophobicContact CG-CD1 4.42Å; F2931-L2935 HydrophobicContact CZ-CB 3.71Å; F2931-L2935 HydrophobicContact CZ-CD1 4.06Å; F2931-L2935 HydrophobicContact CZ-CG 4.47Å; P2932-L2935 HydrophobicContact CG-CD1 3.85Å; P2932-L2935 HydrophobicContact CG-CG 4.08Å; P2932-L2935 WeakPolarHBondContact O-CB 3.42Å; P2932-L2935 PolarHBondContact O-N 3.24Å; P2932-L2935 VanDerWaalsContact O-N 3.16Å; S2933-L2935 PolarHBondContact O-N 3.32Å; S2933-L2935 VanDerWaalsContact O-N 3.16Å |
| 2936 | I | 62.9 | Low | 66.5 | Low | 20.3333 Ų | 20.3333 | 62.6 Ų | 62.6 | 10% | 0.104 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -104.4 | 3.7 | 179.6 | -55 | 163.6 | 0 | 0 | 0 | 111.1 | C2847 L2848 F2912 F2931 S2933 S2934 M2938 | C2847-I2936 HydrophobicContact CB-CD1 4.04Å; C2847-I2936 HydrophobicContact CB-CG1 4Å; C2847-I2936 HydrophobicContact CB-CG2 4.18Å; L2848-I2936 HydrophobicContact CD2-CG2 3.59Å; L2848-I2936 HydrophobicContact CG-CG2 3.7Å; F2912-I2936 HydrophobicContact CD2-CD1 4.36Å; F2912-I2936 HydrophobicContact CE2-CD1 3.72Å; F2931-I2936 HydrophobicContact CD1-CD1 4.26Å; F2931-I2936 HydrophobicContact CD1-CG1 4.45Å; F2931-I2936 HydrophobicContact CE1-CD1 3.58Å; F2931-I2936 VanDerWaalsContact CE1-CD1 3.43Å; F2931-I2936 HydrophobicContact CE1-CG1 3.58Å; F2931-I2936 HydrophobicContact CZ-CD1 4.25Å; F2931-I2936 HydrophobicContact CZ-CG1 4.17Å; S2933-I2936 PolarHBondContact O-N 3.15Å; S2933-I2936 VanDerWaalsContact O-N 3.1Å; S2934-I2936 VanDerWaalsContact C-N 3.27Å; S2934-I2936 PolarHBondContact O-N 3.27Å; I2936-M2938 HydrophobicContact CB-CG 4.37Å; I2936-M2938 HydrophobicContact CG2-CG 4.3Å; I2936-M2938 PolarHBondContact O-N 2.96Å |
| 2937 | G | 56.4 | Low | 65.8 | Low | 67.3333 Ų | 67.3333 | 69.8 Ų | 69.8 | 69% | 0.694 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 16.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S2934 | S2934-G2937 PolarHBondContact O-N 3.25Š|
| 2938 | M | 56.7 | Low | 65.3 | Low | 87 Ų | 87 | 68.8 Ų | 68.8 | 43% | 0.429 | 40% | 0.404 | S | S | . | . | trans | -72.3 | 130 | 170.8 | -68.7 | -113.6 | 74.7 | 0 | 0 | 108.7 | L2848 A2851 I2936 I2940 | L2848-M2938 HydrophobicContact CD2-CG 4.32Å; A2851-M2938 HydrophobicContact CB-SD 4.41Å; I2936-M2938 HydrophobicContact CB-CG 4.37Å; I2936-M2938 HydrophobicContact CG2-CG 4.3Å; I2936-M2938 PolarHBondContact O-N 2.96Å; M2938-I2940 PolarHBondContact O-N 3.06Å; M2938-I2940 VanDerWaalsContact O-N 3.13Å | ||
| 2939 | P | 51.3 | Low | 64.7 | Low | 117.667 Ų | 117.667 | 72.6 Ų | 72.6 | 76% | 0.764 | 43% | 0.431 | S | S | * | . | trans | -59.5 | 120 | -176.3 | 21.7 | -31.1 | 0 | 0 | 0 | 110.5 | L2941 | P2939-L2941 PolarHBondContact O-N 3.21Š| ||
| 2940 | I | 51.7 | Low | 64.4 | Low | 104 Ų | 104 | 75.2 Ų | 75.2 | 53% | 0.533 | 44% | 0.443 | S | S | . | . | trans | -75.3 | 109.2 | 178.2 | -51.2 | 167.1 | 0 | 0 | 0 | 106.8 | S2934 M2938 | S2934-I2940 VanDerWaalsContact CB-CD1 3.49Å; M2938-I2940 PolarHBondContact O-N 3.06Å; M2938-I2940 VanDerWaalsContact O-N 3.13Å | ||
| 2941 | L | 49.9 | Very low | 64.2 | Low | 141 Ų | 141 | 76.1 Ų | 76.1 | 74% | 0.738 | 45% | 0.446 | S | S | * | . | trans | -74.5 | 136.4 | 167.2 | -144.9 | 76.4 | 0 | 0 | 0 | 108.2 | P2939 G2943 V2944 | P2939-L2941 PolarHBondContact O-N 3.21Å; L2941-G2943 PolarHBondContact O-N 3.02Å; L2941-V2944 HydrophobicContact CB-CG2 4.21Å; L2941-V2944 VanDerWaalsContact O-CB 3.31Å; L2941-V2944 WeakPolarHBondContact O-CB 3.36Å; L2941-V2944 VanDerWaalsContact O-CG2 3.24Å; L2941-V2944 WeakPolarHBondContact O-CG2 3.33Å; L2941-V2944 PolarHBondContact O-N 3.06Å | ||
| 2942 | D | 49.2 | Very low | 64.3 | Low | 169.333 Ų | 169.333 | 76.1 Ų | 76.1 | 91% | 0.906 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 127.8 | -175.5 | -80.7 | -36.4 | 0 | 0 | 0 | 112.4 | ||
| 2943 | G | 53.9 | Low | 64.4 | Low | 66 Ų | 66 | 79.7 Ų | 79.7 | 68% | 0.68 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.9 | -3.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L2941 G2945 | L2941-G2943 PolarHBondContact O-N 3.02Å; G2943-G2945 VanDerWaalsContact C-N 3.28Å; G2943-G2945 PolarHBondContact O-N 3.15Å; G2943-G2945 VanDerWaalsContact O-N 3.14Å |
| 2944 | V | 52.4 | Low | 64.7 | Low | 38 Ų | 38 | 80.7 Ų | 80.7 | 23% | 0.23 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 4.5 | -173.3 | -177.5 | 0 | 0 | 0 | 0 | 112.9 | T2909 D2910 L2941 K2946 R2947 | T2909-V2944 VanDerWaalsContact OG1-CG1 3.26Å; T2909-V2944 WeakPolarHBondContact OG1-CG1 3.31Å; D2910-V2944 HydrophobicContact CB-CG1 3.96Å; D2910-V2944 WeakPolarHBondContact CB-O 3.42Å; D2910-V2944 WeakPolarHBondContact OD1-CA 3.16Å; D2910-V2944 WeakPolarHBondContact OD1-CB 3.48Å; D2910-V2944 WeakPolarHBondContact OD1-CG1 3.33Å; D2910-V2944 VanDerWaalsContact OD2-C 3.27Å; L2941-V2944 HydrophobicContact CB-CG2 4.21Å; L2941-V2944 VanDerWaalsContact O-CB 3.31Å; L2941-V2944 WeakPolarHBondContact O-CB 3.36Å; L2941-V2944 VanDerWaalsContact O-CG2 3.24Å; L2941-V2944 WeakPolarHBondContact O-CG2 3.33Å; L2941-V2944 PolarHBondContact O-N 3.06Å; V2944-K2946 PolarHBondContact O-N 2.89Å; V2944-R2947 PolarHBondContact O-N 2.68Å |
| 2945 | G | 58 | Low | 65.3 | Low | 54.3333 Ų | 54.3333 | 81.1 Ų | 81.1 | 56% | 0.56 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -16.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D2910 G2943 S2949 | D2910-G2945 VanDerWaalsContact CG-CA 3.46Å; D2910-G2945 WeakPolarHBondContact OD1-CA 3.42Å; D2910-G2945 PolarHBondContact OD1-N 3.34Å; D2910-G2945 VanDerWaalsContact OD1-N 3.07Å; D2910-G2945 WeakPolarHBondContact OD2-CA 3.37Å; D2910-G2945 PolarHBondContact OD2-N 2.99Å; G2943-G2945 VanDerWaalsContact C-N 3.28Å; G2943-G2945 PolarHBondContact O-N 3.15Å; G2943-G2945 VanDerWaalsContact O-N 3.14Å; G2945-S2949 PolarHBondContact O-N 3.07Å |
| 2946 | K | 68.3 | Low | 65.8 | Low | 174.333 Ų | 174.333 | 79.2 Ų | 79.2 | 76% | 0.758 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -78.6 | -26.7 | -173.2 | -70.8 | -176.1 | 178.4 | 179.2 | 0 | 113.1 | D2910 V2944 S2949 E2950 | D2910-K2946 PolarHBondContact OD2-N 3.35Å; V2944-K2946 PolarHBondContact O-N 2.89Å; K2946-S2949 PolarHBondContact O-N 3.36Å; K2946-E2950 WeakPolarHBondContact O-CB 3.27Å; K2946-E2950 PolarHBondContact O-N 3.13Å; K2946-E2950 VanDerWaalsContact O-N 3.1Å |
| 2947 | R | 71.7 | Confident | 66.2 | Low | 151 Ų | 151 | 82 Ų | 82 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -77 | -37.2 | -173.3 | -59.5 | 173.7 | 170.5 | -177.6 | -1.2 | 112.2 | C2908 T2909 D2910 V2944 S2949 E2950 L2951 | C2908-R2947 VanDerWaalsContact SG-CB 3.54Å; C2908-R2947 WeakPolarHBondContact SG-CB 3.09Å; T2909-R2947 VanDerWaalsContact OG1-CD 3.28Å; T2909-R2947 WeakPolarHBondContact OG1-CD 3.42Å; T2909-R2947 PolarHBondContact OG1-NH1 3.23Å; T2909-R2947 VanDerWaalsContact OG1-NH1 3.08Å; D2910-R2947 WeakPolarHBondContact OD2-CA 3.29Å; D2910-R2947 VanDerWaalsContact OD2-CB 3.24Å; D2910-R2947 WeakPolarHBondContact OD2-CB 3.43Å; D2910-R2947 PolarHBondContact OD2-N 3.13Å; V2944-R2947 PolarHBondContact O-N 2.68Å; R2947-S2949 VanDerWaalsContact C-N 3.34Å; R2947-S2949 PolarHBondContact O-N 3.27Å; R2947-E2950 PolarHBondContact O-N 3.09Å; R2947-L2951 VanDerWaalsContact O-CB 3.26Å; R2947-L2951 WeakPolarHBondContact O-CB 3.3Å; R2947-L2951 PolarHBondContact O-N 3.24Å |
| 2948 | L | 77.4 | Confident | 66.8 | Low | 12.6667 Ų | 12.6667 | 84.7 Ų | 84.7 | 7% | 0.066 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 174.1 | -177.7 | 61.1 | 0 | 0 | 0 | 110.9 | C2908 D2910 M2913 A2930 P2932 E2950 L2951 C2952 | C2908-L2948 HydrophobicContact CB-CD1 4.26Å; D2910-L2948 HydrophobicContact CB-CB 3.8Å; D2910-L2948 PolarHBondContact OD2-N 3.45Å; M2913-L2948 HydrophobicContact CB-CD1 4.29Å; A2930-L2948 HydrophobicContact CB-CD2 4.02Å; A2930-L2948 HydrophobicContact CB-CG 4.23Å; P2932-L2948 HydrophobicContact CB-CD2 4.47Å; L2948-E2950 PolarHBondContact O-N 3.19Å; L2948-L2951 HydrophobicContact CD1-CD2 4.45Å; L2948-L2951 WeakPolarHBondContact O-CB 3.44Å; L2948-L2951 PolarHBondContact O-N 3.09Å; L2948-C2952 PolarHBondContact O-N 3.05Å; L2948-C2952 PolarHBondContact O-SG 3.32Å |
| 2949 | S | 75.8 | Confident | 67.7 | Low | 82 Ų | 82 | 82.6 Ų | 82.6 | 57% | 0.573 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 176.8 | -171.5 | 0 | 0 | 0 | 0 | 112 | G2945 K2946 R2947 L2951 C2952 R2953 | G2945-S2949 PolarHBondContact O-N 3.07Å; K2946-S2949 PolarHBondContact O-N 3.36Å; R2947-S2949 VanDerWaalsContact C-N 3.34Å; R2947-S2949 PolarHBondContact O-N 3.27Å; S2949-L2951 PolarHBondContact O-N 3.32Å; S2949-C2952 PolarHBondContact O-N 3.11Å; S2949-R2953 WeakPolarHBondContact O-CB 3.18Å; S2949-R2953 PolarHBondContact O-N 3.21Å |
| 2950 | E | 77.9 | Confident | 68.9 | Low | 82.6667 Ų | 82.6667 | 79.7 Ų | 79.7 | 39% | 0.386 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 177.5 | -171.3 | 59 | -161.5 | 0 | 0 | 112 | K2946 R2947 L2948 C2952 R2953 C2954 | K2946-E2950 WeakPolarHBondContact O-CB 3.27Å; K2946-E2950 PolarHBondContact O-N 3.13Å; K2946-E2950 VanDerWaalsContact O-N 3.1Å; R2947-E2950 PolarHBondContact O-N 3.09Å; L2948-E2950 PolarHBondContact O-N 3.19Å; E2950-C2952 VanDerWaalsContact C-N 3.34Å; E2950-C2952 PolarHBondContact O-N 3.1Å; E2950-R2953 WeakPolarHBondContact O-CB 3.27Å; E2950-R2953 PolarHBondContact O-N 3.24Å; E2950-R2953 IonicContact OE1-CZ 3.34Å; E2950-R2953 IonicContact OE1-NE 2.95Å; E2950-R2953 PolarHBondContact OE1-NE 3.34Å; E2950-R2953 VanDerWaalsContact OE1-NE 3.13Å; E2950-R2953 IonicContact OE1-NH2 3.26Å; E2950-R2953 PolarHBondContact OE1-NH2 3.41Å; E2950-R2953 IonicContact OE2-CZ 2.95Å; E2950-R2953 IonicContact OE2-NE 3.02Å; E2950-R2953 PolarHBondContact OE2-NE 2.97Å; E2950-R2953 VanDerWaalsContact OE2-NE 3.08Å; E2950-R2953 IonicContact OE2-NH2 3.18Å; E2950-C2954 PolarHBondContact O-N 3.12Å; E2950-C2954 PolarHBondContact O-SG 3.16Å |
| 2951 | L | 79.3 | Confident | 70.2 | Confident | 29 Ų | 29 | 75.1 Ų | 75.1 | 15% | 0.152 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 174.1 | -175.7 | 100.8 | 0 | 0 | 0 | 111.2 | R2906 C2908 M2913 R2947 L2948 S2949 R2953 C2954 F2955 | R2906-L2951 HydrophobicContact CB-CD2 4.49Å; R2906-L2951 HydrophobicContact CG-CD1 4.16Å; R2906-L2951 HydrophobicContact CG-CD2 4.15Å; C2908-L2951 HydrophobicContact CB-CD2 4.25Å; M2913-L2951 HydrophobicContact CB-CD2 3.9Å; M2913-L2951 HydrophobicContact CG-CD2 4.34Å; M2913-L2951 HydrophobicContact SD-CD2 3.84Å; M2913-L2951 VanDerWaalsContact SD-CD2 3.52Å; M2913-L2951 HydrophobicContact SD-CG 4.29Å; R2947-L2951 VanDerWaalsContact O-CB 3.26Å; R2947-L2951 WeakPolarHBondContact O-CB 3.3Å; R2947-L2951 PolarHBondContact O-N 3.24Å; L2948-L2951 HydrophobicContact CD1-CD2 4.45Å; L2948-L2951 WeakPolarHBondContact O-CB 3.44Å; L2948-L2951 PolarHBondContact O-N 3.09Å; S2949-L2951 PolarHBondContact O-N 3.32Å; L2951-R2953 VanDerWaalsContact C-N 3.34Å; L2951-R2953 PolarHBondContact O-N 3.16Å; L2951-C2954 PolarHBondContact O-N 2.92Å; L2951-F2955 HydrophobicContact CD1-CD2 4.15Å; L2951-F2955 HydrophobicContact CD1-CE2 4.25Å; L2951-F2955 HydrophobicContact CD2-CD2 4.21Å; L2951-F2955 HydrophobicContact CD2-CE2 4.29Å; L2951-F2955 HydrophobicContact CG-CD2 4.14Å; L2951-F2955 HydrophobicContact CG-CE2 4.28Å; L2951-F2955 WeakPolarHBondContact O-CD2 3.27Å; L2951-F2955 PolarHBondContact O-N 3.08Å; L2951-F2955 VanDerWaalsContact O-N 3.09Å |
| 2952 | C | 81.3 | Confident | 71.6 | Confident | 3.66667 Ų | 3.66667 | 71.6 Ų | 71.6 | 3% | 0.025 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.1 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | V2880 M2913 L2948 S2949 E2950 C2954 F2955 I2956 | V2880-C2952 HydrophobicContact CG1-CB 4.17Å; M2913-C2952 HydrophobicContact CE-CB 4.32Å; M2913-C2952 HydrophobicContact SD-CB 4.41Å; L2948-C2952 PolarHBondContact O-N 3.05Å; L2948-C2952 PolarHBondContact O-SG 3.32Å; S2949-C2952 PolarHBondContact O-N 3.11Å; E2950-C2952 VanDerWaalsContact C-N 3.34Å; E2950-C2952 PolarHBondContact O-N 3.1Å; C2952-C2954 PolarHBondContact O-N 3.3Å; C2952-F2955 PolarHBondContact O-N 2.85Å; C2952-I2956 WeakPolarHBondContact O-CB 3.37Å; C2952-I2956 VanDerWaalsContact O-CD1 3.32Å; C2952-I2956 WeakPolarHBondContact O-CD1 3.4Å; C2952-I2956 WeakPolarHBondContact O-CG1 3.29Å; C2952-I2956 PolarHBondContact O-N 3.15Å |
| 2953 | R | 77.5 | Confident | 73.2 | Confident | 105 Ų | 105 | 64 Ų | 64 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.5 | -48 | 177.5 | -166.7 | -173 | 78 | 88.9 | -0.8 | 111.6 | S2949 E2950 L2951 F2955 I2956 I2957 E3144 | S2949-R2953 WeakPolarHBondContact O-CB 3.18Å; S2949-R2953 PolarHBondContact O-N 3.21Å; E2950-R2953 WeakPolarHBondContact O-CB 3.27Å; E2950-R2953 PolarHBondContact O-N 3.24Å; E2950-R2953 IonicContact OE1-CZ 3.34Å; E2950-R2953 IonicContact OE1-NE 2.95Å; E2950-R2953 PolarHBondContact OE1-NE 3.34Å; E2950-R2953 VanDerWaalsContact OE1-NE 3.13Å; E2950-R2953 IonicContact OE1-NH2 3.26Å; E2950-R2953 PolarHBondContact OE1-NH2 3.41Å; E2950-R2953 IonicContact OE2-CZ 2.95Å; E2950-R2953 IonicContact OE2-NE 3.02Å; E2950-R2953 PolarHBondContact OE2-NE 2.97Å; E2950-R2953 VanDerWaalsContact OE2-NE 3.08Å; E2950-R2953 IonicContact OE2-NH2 3.18Å; L2951-R2953 VanDerWaalsContact C-N 3.34Å; L2951-R2953 PolarHBondContact O-N 3.16Å; R2953-F2955 PolarHBondContact O-N 3.44Å; R2953-I2956 PolarHBondContact O-N 3.01Å; R2953-I2957 HydrophobicContact CG-CD1 3.93Å; R2953-I2957 VanDerWaalsContact NH1-CD1 3.31Å; R2953-I2957 WeakPolarHBondContact O-CD1 3.32Å; R2953-I2957 VanDerWaalsContact O-CG1 3.27Å; R2953-I2957 WeakPolarHBondContact O-CG1 3.27Å; R2953-I2957 PolarHBondContact O-N 3.04Å; R2953-I2957 VanDerWaalsContact O-N 3.1Å; R2953-E3144 IonicContact CZ-OE1 3.29Å; R2953-E3144 IonicContact NH1-OE1 3.25Å; R2953-E3144 PolarHBondContact NH1-OE1 2.77Å; R2953-E3144 IonicContact NH1-OE2 3.45Å; R2953-E3144 IonicContact NH2-OE1 3.4Å; R2953-E3144 PolarHBondContact NH2-OE1 3.49Å; R2953-E3144 IonicContact NH2-OE2 3.1Å; R2953-E3144 PolarHBondContact NH2-OE2 3.24Å |
| 2954 | C | 77 | Confident | 74.6 | Confident | 42.3333 Ų | 42.3333 | 66.4 Ų | 66.4 | 29% | 0.286 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 177.5 | -67.9 | 0 | 0 | 0 | 0 | 111.8 | E2950 L2951 C2952 I2956 I2957 E2958 | E2950-C2954 PolarHBondContact O-N 3.12Å; E2950-C2954 PolarHBondContact O-SG 3.16Å; L2951-C2954 PolarHBondContact O-N 2.92Å; C2952-C2954 PolarHBondContact O-N 3.3Å; C2954-I2956 PolarHBondContact O-N 3.19Å; C2954-I2957 PolarHBondContact O-N 3.02Å; C2954-E2958 WeakPolarHBondContact O-CB 3.43Å; C2954-E2958 WeakPolarHBondContact O-CG 3.35Å; C2954-E2958 PolarHBondContact O-N 3.03Å |
| 2955 | F | 77.2 | Confident | 76.1 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 179.8 | -95.6 | -86.5 | 0 | 0 | 0 | 113 | R2906 M2913 L2951 C2952 R2953 I2957 E2958 C2959 | R2906-F2955 HydrophobicContact CG-CE2 4.37Å; M2913-F2955 HydrophobicContact CE-CB 3.68Å; M2913-F2955 HydrophobicContact CE-CD2 4.36Å; M2913-F2955 HydrophobicContact CE-CG 4.17Å; M2913-F2955 HydrophobicContact SD-CB 4.16Å; M2913-F2955 HydrophobicContact SD-CD2 4Å; M2913-F2955 HydrophobicContact SD-CG 4.16Å; L2951-F2955 HydrophobicContact CD1-CD2 4.15Å; L2951-F2955 HydrophobicContact CD1-CE2 4.25Å; L2951-F2955 HydrophobicContact CD2-CD2 4.21Å; L2951-F2955 HydrophobicContact CD2-CE2 4.29Å; L2951-F2955 HydrophobicContact CG-CD2 4.14Å; L2951-F2955 HydrophobicContact CG-CE2 4.28Å; L2951-F2955 WeakPolarHBondContact O-CD2 3.27Å; L2951-F2955 PolarHBondContact O-N 3.08Å; L2951-F2955 VanDerWaalsContact O-N 3.09Å; C2952-F2955 PolarHBondContact O-N 2.85Å; R2953-F2955 PolarHBondContact O-N 3.44Å; F2955-I2957 VanDerWaalsContact C-N 3.31Å; F2955-I2957 PolarHBondContact O-N 2.78Å; F2955-E2958 PolarHBondContact O-N 3.3Å; F2955-E2958 VanDerWaalsContact O-N 3.17Å; F2955-C2959 WeakPolarHBondContact O-CB 3.43Å; F2955-C2959 PolarHBondContact O-N 3.16Å; F2955-C2959 PolarHBondContact O-SG 3.06Å; F2955-C2959 VanDerWaalsContact O-SG 3.35Å |
| 2956 | I | 76 | Confident | 77.4 | Confident | 47.3333 Ų | 47.3333 | 62.2 Ų | 62.2 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 177.5 | -68.6 | 161.2 | 0 | 0 | 0 | 110.4 | V2880 H2881 F2928 C2952 R2953 C2954 E2958 | V2880-I2956 HydrophobicContact CG1-CD1 3.9Å; H2881-I2956 HydrophobicContact CB-CD1 3.55Å; H2881-I2956 HydrophobicContact CB-CG1 3.77Å; H2881-I2956 HydrophobicContact CB-CG2 4.45Å; F2928-I2956 HydrophobicContact CD1-CG1 4.34Å; F2928-I2956 HydrophobicContact CG-CG1 4.33Å; C2952-I2956 WeakPolarHBondContact O-CB 3.37Å; C2952-I2956 VanDerWaalsContact O-CD1 3.32Å; C2952-I2956 WeakPolarHBondContact O-CD1 3.4Å; C2952-I2956 WeakPolarHBondContact O-CG1 3.29Å; C2952-I2956 PolarHBondContact O-N 3.15Å; R2953-I2956 PolarHBondContact O-N 3.01Å; C2954-I2956 PolarHBondContact O-N 3.19Å; I2956-E2958 VanDerWaalsContact C-N 3.3Å; I2956-E2958 PolarHBondContact O-N 3.16Å |
| 2957 | I | 70.7 | Confident | 78.2 | Confident | 79.6667 Ų | 79.6667 | 54.6 Ų | 54.6 | 41% | 0.409 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 179.1 | -67.9 | 168.6 | 0 | 0 | 0 | 111 | R2953 C2954 F2955 H2960 | R2953-I2957 HydrophobicContact CG-CD1 3.93Å; R2953-I2957 VanDerWaalsContact NH1-CD1 3.31Å; R2953-I2957 WeakPolarHBondContact O-CD1 3.32Å; R2953-I2957 VanDerWaalsContact O-CG1 3.27Å; R2953-I2957 WeakPolarHBondContact O-CG1 3.27Å; R2953-I2957 PolarHBondContact O-N 3.04Å; R2953-I2957 VanDerWaalsContact O-N 3.1Å; C2954-I2957 PolarHBondContact O-N 3.02Å; F2955-I2957 VanDerWaalsContact C-N 3.31Å; F2955-I2957 PolarHBondContact O-N 2.78Å; I2957-H2960 PolarHBondContact O-CE1 3.08Å; I2957-H2960 PolarHBondContact O-ND1 3.11Å; I2957-H2960 PolarHBondContact O-NE2 2.86Å; I2957-H2960 VanDerWaalsContact O-NE2 3.16Å |
| 2958 | E | 70.5 | Confident | 78.8 | Confident | 124 Ų | 124 | 51.4 Ų | 51.4 | 58% | 0.579 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -82.9 | -23.4 | -174.9 | -70.3 | -174.4 | 166.5 | 0 | 0 | 114.7 | C2954 F2955 I2956 H2960 | C2954-E2958 WeakPolarHBondContact O-CB 3.43Å; C2954-E2958 WeakPolarHBondContact O-CG 3.35Å; C2954-E2958 PolarHBondContact O-N 3.03Å; F2955-E2958 PolarHBondContact O-N 3.3Å; F2955-E2958 VanDerWaalsContact O-N 3.17Å; I2956-E2958 VanDerWaalsContact C-N 3.3Å; I2956-E2958 PolarHBondContact O-N 3.16Å; E2958-H2960 VanDerWaalsContact C-N 3.32Å; E2958-H2960 PolarHBondContact O-CD2 3.12Å; E2958-H2960 VanDerWaalsContact O-CD2 3.26Å; E2958-H2960 PolarHBondContact O-N 2.96Å |
| 2959 | C | 74.2 | Confident | 79.1 | Confident | 41.6667 Ų | 41.6667 | 50.9 Ų | 50.9 | 28% | 0.282 | 25% | 0.253 | S | S | . | . | trans | -75 | 4.7 | -172.6 | -111.3 | 0 | 0 | 0 | 0 | 114.3 | F2928 F2955 V2961 | F2928-C2959 HydrophobicContact CE1-CB 4.39Å; F2928-C2959 HydrophobicContact CZ-CB 4.07Å; F2955-C2959 WeakPolarHBondContact O-CB 3.43Å; F2955-C2959 PolarHBondContact O-N 3.16Å; F2955-C2959 PolarHBondContact O-SG 3.06Å; F2955-C2959 VanDerWaalsContact O-SG 3.35Å; C2959-V2961 VanDerWaalsContact C-N 3.28Å; C2959-V2961 HydrophobicContact CB-CG2 4.34Å; C2959-V2961 PolarHBondContact O-N 2.98Å; C2959-V2961 VanDerWaalsContact SG-CG2 3.59Å | ||
| 2960 | H | 76.2 | Confident | 79.6 | Confident | 58 Ų | 58 | 47 Ų | 47 | 27% | 0.269 | 23% | 0.226 | S | C | . | . | trans | 4.7 | 54.4 | 177 | -58.4 | -57.9 | 0 | 0 | 0 | 115.8 | I2957 E2958 H2962 S2963 F2964 F3008 | I2957-H2960 PolarHBondContact O-CE1 3.08Å; I2957-H2960 PolarHBondContact O-ND1 3.11Å; I2957-H2960 PolarHBondContact O-NE2 2.86Å; I2957-H2960 VanDerWaalsContact O-NE2 3.16Å; E2958-H2960 VanDerWaalsContact C-N 3.32Å; E2958-H2960 PolarHBondContact O-CD2 3.12Å; E2958-H2960 VanDerWaalsContact O-CD2 3.26Å; E2958-H2960 PolarHBondContact O-N 2.96Å; H2960-H2962 VanDerWaalsContact C-N 3.28Å; H2960-H2962 PolarHBondContact O-N 3.35Å; H2960-H2962 VanDerWaalsContact O-N 3.12Å; H2960-S2963 WeakPolarHBondContact O-CA 3.3Å; H2960-S2963 WeakPolarHBondContact O-CB 3.21Å; H2960-S2963 PolarHBondContact O-N 3.02Å; H2960-F2964 PolarHBondContact O-N 3.07Å; H2960-F2964 VanDerWaalsContact O-N 3.11Å; H2960-F3008 HydrophobicContact CB-CB 4.02Å; H2960-F3008 HydrophobicContact CB-CD2 4.35Å; H2960-F3008 HydrophobicContact CB-CG 4.38Å; H2960-F3008 AromaticContact CD2-CD1 3.58Å; H2960-F3008 VanDerWaalsContact CD2-CD1 3.42Å; H2960-F3008 WeakPolarHBondContact CD2-CD1 3.12Å; H2960-F3008 AromaticContact CD2-CD2 3.87Å; H2960-F3008 AromaticContact CD2-CE1 3.92Å; H2960-F3008 AromaticContact CD2-CG 3.43Å; H2960-F3008 WeakPolarHBondContact CD2-CG 3.42Å; H2960-F3008 AromaticContact CE1-CD1 3.66Å; H2960-F3008 AromaticContact CE1-CD2 3.19Å; H2960-F3008 WeakPolarHBondContact CE1-CD2 3.33Å; H2960-F3008 AromaticContact CE1-CE1 3.5Å; H2960-F3008 WeakPolarHBondContact CE1-CE1 3.49Å; H2960-F3008 AromaticContact CE1-CE2 3.05Å; H2960-F3008 WeakPolarHBondContact CE1-CE2 3.42Å; H2960-F3008 AromaticContact CE1-CG 3.5Å; H2960-F3008 VanDerWaalsContact CE1-CG 3.42Å; H2960-F3008 WeakPolarHBondContact CE1-CG 3.32Å; H2960-F3008 AromaticContact CE1-CZ 3.21Å; H2960-F3008 WeakPolarHBondContact CE1-CZ 3.17Å; H2960-F3008 AromaticContact CG-CD2 3.61Å; H2960-F3008 AromaticContact CG-CG 3.56Å; H2960-F3008 VanDerWaalsContact CG-CG 3.47Å; H2960-F3008 AromaticContact ND1-CD2 3.18Å; H2960-F3008 WeakPolarHBondContact ND1-CD2 3.35Å; H2960-F3008 AromaticContact ND1-CE2 3.45Å; H2960-F3008 WeakPolarHBondContact ND1-CE2 3.31Å; H2960-F3008 AromaticContact ND1-CG 3.61Å; H2960-F3008 AromaticContact ND1-CZ 3.95Å; H2960-F3008 AromaticContact NE2-CD1 3.2Å; H2960-F3008 VanDerWaalsContact NE2-CD1 3.28Å; H2960-F3008 WeakPolarHBondContact NE2-CD1 3.23Å; H2960-F3008 AromaticContact NE2-CD2 3.62Å; H2960-F3008 AromaticContact NE2-CE1 3.24Å; H2960-F3008 WeakPolarHBondContact NE2-CE1 3.35Å; H2960-F3008 AromaticContact NE2-CE2 3.68Å; H2960-F3008 AromaticContact NE2-CG 3.39Å; H2960-F3008 WeakPolarHBondContact NE2-CG 3.23Å; H2960-F3008 AromaticContact NE2-CZ 3.49Å; H2960-F3008 WeakPolarHBondContact NE2-CZ 3.44Å | ||
| 2961 | V | 80.1 | Confident | 79.9 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.048 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.8 | -39.3 | -172.2 | 178 | 0 | 0 | 0 | 0 | 113.5 | V2883 T2885 F2917 F2924 C2959 F2964 A2965 | V2883-V2961 HydrophobicContact CG1-CB 3.8Å; V2883-V2961 HydrophobicContact CG1-CG1 4.14Å; V2883-V2961 HydrophobicContact CG1-CG2 3.52Å; V2883-V2961 VanDerWaalsContact CG1-CG2 3.48Å; V2883-V2961 HydrophobicContact CG2-CB 4.22Å; T2885-V2961 HydrophobicContact CG2-CG1 3.88Å; F2917-V2961 HydrophobicContact CE1-CG2 3.95Å; F2924-V2961 HydrophobicContact CD1-CG1 3.78Å; F2924-V2961 HydrophobicContact CE1-CG1 3.8Å; C2959-V2961 VanDerWaalsContact C-N 3.28Å; C2959-V2961 HydrophobicContact CB-CG2 4.34Å; C2959-V2961 PolarHBondContact O-N 2.98Å; C2959-V2961 VanDerWaalsContact SG-CG2 3.59Å; V2961-F2964 WeakPolarHBondContact O-CB 3.38Å; V2961-F2964 PolarHBondContact O-N 3.07Å; V2961-A2965 PolarHBondContact O-N 3.01Å |
| 2962 | H | 80.2 | Confident | 79.9 | Confident | 67.3333 Ų | 67.3333 | 47.1 Ų | 47.1 | 31% | 0.312 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68 | -35.4 | 177 | -96.8 | -39 | 0 | 0 | 0 | 113.6 | V2883 F2884 T2885 H2960 F2964 A2965 Y2966 Y3001 Y3002 | V2883-H2962 WeakPolarHBondContact CG2-NE2 3.11Å; F2884-H2962 PolarHBondContact O-CE1 2.81Å; F2884-H2962 VanDerWaalsContact O-CE1 3.23Å; T2885-H2962 VanDerWaalsContact CB-ND1 3.31Å; T2885-H2962 WeakPolarHBondContact CB-ND1 3.35Å; T2885-H2962 PolarHBondContact OG1-ND1 3.11Å; H2960-H2962 VanDerWaalsContact C-N 3.28Å; H2960-H2962 PolarHBondContact O-N 3.35Å; H2960-H2962 VanDerWaalsContact O-N 3.12Å; H2962-F2964 VanDerWaalsContact C-N 3.34Å; H2962-A2965 PolarHBondContact O-N 3.28Å; H2962-Y2966 PolarHBondContact O-N 3.18Å; H2962-Y2966 VanDerWaalsContact O-N 3.11Å; H2962-Y3001 AromaticContact CE1-CE1 3.82Å; H2962-Y3002 AromaticContact CE1-CE1 3.4Å; H2962-Y3002 VanDerWaalsContact CE1-CE1 3.4Å; H2962-Y3002 WeakPolarHBondContact CE1-CE1 3.42Å; H2962-Y3002 AromaticContact NE2-CD1 3.78Å; H2962-Y3002 AromaticContact NE2-CE1 3.36Å; H2962-Y3002 WeakPolarHBondContact NE2-CE1 3.39Å |
| 2963 | S | 82.3 | Confident | 79.9 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70 | -37.7 | 175.8 | -59 | 0 | 0 | 0 | 0 | 111 | H2960 Y2966 D2967 P3006 | H2960-S2963 WeakPolarHBondContact O-CA 3.3Å; H2960-S2963 WeakPolarHBondContact O-CB 3.21Å; H2960-S2963 PolarHBondContact O-N 3.02Å; S2963-Y2966 PolarHBondContact O-N 3.12Å; S2963-D2967 PolarHBondContact O-N 3.12Å; S2963-P3006 VanDerWaalsContact OG-CB 3.25Å; S2963-P3006 WeakPolarHBondContact OG-CB 3.38Å |
| 2964 | F | 83.1 | Confident | 80.1 | Confident | 115.667 Ų | 115.667 | 42.3 Ų | 42.3 | 51% | 0.507 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.7 | -47.5 | 172.8 | 172.4 | -94.6 | 0 | 0 | 0 | 111.9 | F2924 H2960 V2961 H2962 Y2966 D2967 F2968 | F2924-F2964 HydrophobicContact CD1-CD1 4.41Å; F2924-F2964 AromaticContact CE1-CD1 3.88Å; F2924-F2964 HydrophobicContact CE1-CD1 4Å; F2924-F2964 AromaticContact CE1-CE1 3.98Å; F2924-F2964 HydrophobicContact CE1-CE1 4.1Å; F2924-F2964 HydrophobicContact CZ-CE1 4.42Å; H2960-F2964 PolarHBondContact O-N 3.07Å; H2960-F2964 VanDerWaalsContact O-N 3.11Å; V2961-F2964 WeakPolarHBondContact O-CB 3.38Å; V2961-F2964 PolarHBondContact O-N 3.07Å; H2962-F2964 VanDerWaalsContact C-N 3.34Å; F2964-Y2966 VanDerWaalsContact C-N 3.34Å; F2964-Y2966 PolarHBondContact O-N 3.18Å; F2964-D2967 PolarHBondContact O-N 3.02Å; F2964-F2968 VanDerWaalsContact O-CB 3.29Å; F2964-F2968 WeakPolarHBondContact O-CB 3.37Å; F2964-F2968 PolarHBondContact O-N 3.26Å |
| 2965 | A | 83.3 | Confident | 80.1 | Confident | 2.33333 Ų | 2.33333 | 41.2 Ų | 41.2 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T2885 V2961 H2962 F2968 H2969 | T2885-A2965 HydrophobicContact CG2-CB 3.45Å; T2885-A2965 VanDerWaalsContact CG2-CB 3.45Å; V2961-A2965 PolarHBondContact O-N 3.01Å; H2962-A2965 PolarHBondContact O-N 3.28Å; A2965-F2968 PolarHBondContact O-N 2.93Å; A2965-H2969 WeakPolarHBondContact O-CB 3.21Å; A2965-H2969 VanDerWaalsContact O-CG 3.28Å; A2965-H2969 PolarHBondContact O-N 3.17Å; A2965-H2969 VanDerWaalsContact O-N 3.14Å; A2965-H2969 PolarHBondContact O-ND1 3.11Å |
| 2966 | Y | 85.5 | Confident | 80.1 | Confident | 3.33333 Ų | 3.33333 | 40.2 Ų | 40.2 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.7 | -49.7 | 172.6 | 177.5 | -85.6 | 0 | 0 | 0 | 112.1 | H2962 S2963 F2964 F2968 H2969 L2970 F2998 Y3002 R3005 P3006 A3009 T3011 F3013 M3166 | H2962-Y2966 PolarHBondContact O-N 3.18Å; H2962-Y2966 VanDerWaalsContact O-N 3.11Å; S2963-Y2966 PolarHBondContact O-N 3.12Å; F2964-Y2966 VanDerWaalsContact C-N 3.34Å; F2964-Y2966 PolarHBondContact O-N 3.18Å; Y2966-F2968 VanDerWaalsContact C-N 3.35Å; Y2966-F2968 PolarHBondContact O-N 2.68Å; Y2966-H2969 PolarHBondContact O-N 2.89Å; Y2966-L2970 HydrophobicContact CD1-CD1 4.02Å; Y2966-L2970 HydrophobicContact CE1-CD1 3.4Å; Y2966-L2970 VanDerWaalsContact CE1-CD1 3.41Å; Y2966-L2970 HydrophobicContact CE2-CD1 4.29Å; Y2966-L2970 PolarHBondContact O-N 3.22Å; Y2966-F2998 HydrophobicContact CD2-CE1 4.2Å; Y2966-F2998 HydrophobicContact CD2-CE2 4.19Å; Y2966-F2998 AromaticContact CD2-CZ 3.44Å; Y2966-F2998 HydrophobicContact CD2-CZ 3.44Å; Y2966-F2998 VanDerWaalsContact CD2-CZ 3.44Å; Y2966-F2998 AromaticContact CE2-CE1 3.68Å; Y2966-F2998 HydrophobicContact CE2-CE1 3.68Å; Y2966-F2998 HydrophobicContact CE2-CE2 4.46Å; Y2966-F2998 AromaticContact CE2-CZ 3.36Å; Y2966-F2998 HydrophobicContact CE2-CZ 3.36Å; Y2966-F2998 HydrophobicContact CG-CZ 4.11Å; Y2966-F2998 AromaticContact CZ-CZ 3.98Å; Y2966-Y3002 AromaticContact CD2-CD1 3.6Å; Y2966-Y3002 HydrophobicContact CD2-CD1 3.6Å; Y2966-Y3002 AromaticContact CD2-CD2 3.9Å; Y2966-Y3002 HydrophobicContact CD2-CD2 3.9Å; Y2966-Y3002 AromaticContact CD2-CE1 3.93Å; Y2966-Y3002 HydrophobicContact CD2-CE1 3.99Å; Y2966-Y3002 HydrophobicContact CD2-CE2 4.29Å; Y2966-Y3002 AromaticContact CD2-CG 3.54Å; Y2966-Y3002 HydrophobicContact CD2-CG 3.54Å; Y2966-Y3002 HydrophobicContact CE2-CD1 4.4Å; Y2966-Y3002 HydrophobicContact CE2-CD2 4.49Å; Y2966-Y3002 HydrophobicContact CE2-CG 4.04Å; Y2966-Y3002 HydrophobicContact CG-CD1 4.46Å; Y2966-Y3002 HydrophobicContact CG-CE1 4.43Å; Y2966-Y3002 PolarHBondContact N-OH 2.69Å; Y2966-R3005 HydrophobicContact CE1-CG 4.08Å; Y2966-P3006 VanDerWaalsContact CD2-CD 3.46Å; Y2966-P3006 HydrophobicContact CD2-CG 4.04Å; Y2966-P3006 HydrophobicContact CG-CG 3.97Å; Y2966-A3009 HydrophobicContact CD1-CB 3.44Å; Y2966-A3009 VanDerWaalsContact CD1-CB 3.44Å; Y2966-A3009 HydrophobicContact CE1-CB 3.8Å; Y2966-A3009 HydrophobicContact CG-CB 4.21Å; Y2966-T3011 WeakPolarHBondContact CE1-O 3.41Å; Y2966-F3013 VanDerWaalsContact OH-CB 3.31Å; Y2966-F3013 WeakPolarHBondContact OH-CB 3.31Å; Y2966-F3013 PolarHBondContact OH-N 3.12Å; Y2966-M3166 HydrophobicContact CE2-CE 4.27Å |
| 2967 | D | 84.7 | Confident | 80.1 | Confident | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 179 | -75.8 | -22.2 | 0 | 0 | 0 | 112.1 | S2963 F2964 H2969 L2970 R2971 R3010 T3011 | S2963-D2967 PolarHBondContact O-N 3.12Å; F2964-D2967 PolarHBondContact O-N 3.02Å; D2967-H2969 PolarHBondContact O-N 3.19Å; D2967-L2970 PolarHBondContact O-N 3.24Å; D2967-R2971 VanDerWaalsContact O-CB 3.27Å; D2967-R2971 WeakPolarHBondContact O-CB 3.39Å; D2967-R2971 WeakPolarHBondContact O-CD 3.49Å; D2967-R2971 WeakPolarHBondContact O-CG 3.44Å; D2967-R2971 PolarHBondContact O-N 2.96Å; D2967-R3010 VanDerWaalsContact CG-N 3.31Å; D2967-R3010 PolarHBondContact OD1-N 3.43Å; D2967-R3010 WeakPolarHBondContact OD2-CB 3.33Å; D2967-R3010 PolarHBondContact OD2-N 3.3Å; D2967-T3011 VanDerWaalsContact OD1-CB 3.27Å; D2967-T3011 WeakPolarHBondContact OD1-CB 3.29Å; D2967-T3011 PolarHBondContact OD1-N 3.1Å; D2967-T3011 PolarHBondContact OD1-OG1 3.14Å |
| 2968 | F | 83.8 | Confident | 80.3 | Confident | 85.3333 Ų | 85.3333 | 35.9 Ų | 35.9 | 37% | 0.374 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -56.8 | -49.7 | 178.1 | 173.1 | -102.5 | 0 | 0 | 0 | 111.6 | V2887 F2964 A2965 Y2966 L2970 R2971 I2972 | V2887-F2968 HydrophobicContact CG1-CD1 4.4Å; V2887-F2968 HydrophobicContact CG1-CE1 4.02Å; F2964-F2968 VanDerWaalsContact O-CB 3.29Å; F2964-F2968 WeakPolarHBondContact O-CB 3.37Å; F2964-F2968 PolarHBondContact O-N 3.26Å; A2965-F2968 PolarHBondContact O-N 2.93Å; Y2966-F2968 VanDerWaalsContact C-N 3.35Å; Y2966-F2968 PolarHBondContact O-N 2.68Å; F2968-L2970 PolarHBondContact O-N 3.16Å; F2968-R2971 PolarHBondContact O-N 3.23Å; F2968-I2972 HydrophobicContact CD1-CD1 3.81Å; F2968-I2972 HydrophobicContact CD2-CD1 4.02Å; F2968-I2972 HydrophobicContact CE1-CD1 3.35Å; F2968-I2972 HydrophobicContact CE2-CD1 3.58Å; F2968-I2972 HydrophobicContact CE2-CG1 4.41Å; F2968-I2972 HydrophobicContact CG-CD1 4.14Å; F2968-I2972 HydrophobicContact CZ-CD1 3.24Å; F2968-I2972 HydrophobicContact CZ-CG1 4.46Å; F2968-I2972 WeakPolarHBondContact O-CG1 3.43Å; F2968-I2972 PolarHBondContact O-N 3.21Å |
| 2969 | H | 84.3 | Confident | 80.1 | Confident | 1.66667 Ų | 1.66667 | 32.6 Ų | 32.6 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.1 | -49.9 | 177.1 | -74.6 | 142.7 | 0 | 0 | 0 | 112.8 | V2887 I2888 A2965 Y2966 D2967 I2972 V2973 F2994 F2998 Y3002 | V2887-H2969 WeakPolarHBondContact CA-NE2 3.28Å; V2887-H2969 WeakPolarHBondContact CG1-NE2 3.27Å; I2888-H2969 PolarHBondContact N-CE1 3.16Å; I2888-H2969 PolarHBondContact N-NE2 3.06Å; A2965-H2969 WeakPolarHBondContact O-CB 3.21Å; A2965-H2969 VanDerWaalsContact O-CG 3.28Å; A2965-H2969 PolarHBondContact O-N 3.17Å; A2965-H2969 VanDerWaalsContact O-N 3.14Å; A2965-H2969 PolarHBondContact O-ND1 3.11Å; Y2966-H2969 PolarHBondContact O-N 2.89Å; D2967-H2969 PolarHBondContact O-N 3.19Å; H2969-I2972 PolarHBondContact O-N 2.98Å; H2969-V2973 PolarHBondContact O-N 3.03Å; H2969-V2973 VanDerWaalsContact O-N 3.16Å; H2969-F2994 HydrophobicContact CB-CZ 3.92Å; H2969-F2998 HydrophobicContact CB-CD2 3.95Å; H2969-F2998 HydrophobicContact CB-CE2 3.55Å; H2969-F2998 AromaticContact ND1-CE2 3.98Å; H2969-Y3002 AromaticContact ND1-CE2 3.75Å |
| 2970 | L | 87 | Confident | 79.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.4 | -32.9 | -176.6 | -68.1 | 175.5 | 0 | 0 | 0 | 113.2 | Y2966 D2967 F2968 V2973 S2974 F2998 T3011 F3013 I3126 | Y2966-L2970 HydrophobicContact CD1-CD1 4.02Å; Y2966-L2970 HydrophobicContact CE1-CD1 3.4Å; Y2966-L2970 VanDerWaalsContact CE1-CD1 3.41Å; Y2966-L2970 HydrophobicContact CE2-CD1 4.29Å; Y2966-L2970 PolarHBondContact O-N 3.22Å; D2967-L2970 PolarHBondContact O-N 3.24Å; F2968-L2970 PolarHBondContact O-N 3.16Å; L2970-V2973 PolarHBondContact O-N 3.14Å; L2970-S2974 WeakPolarHBondContact O-CB 3.45Å; L2970-S2974 PolarHBondContact O-N 3.27Å; L2970-S2974 PolarHBondContact O-OG 2.99Å; L2970-F2998 HydrophobicContact CD1-CE1 3.98Å; L2970-F2998 HydrophobicContact CD1-CZ 3.66Å; L2970-F2998 HydrophobicContact CD2-CD1 4.16Å; L2970-F2998 HydrophobicContact CD2-CE1 3.61Å; L2970-F2998 HydrophobicContact CD2-CE2 4.23Å; L2970-F2998 HydrophobicContact CD2-CZ 3.65Å; L2970-F2998 HydrophobicContact CG-CE1 3.91Å; L2970-F2998 HydrophobicContact CG-CE2 4.05Å; L2970-F2998 HydrophobicContact CG-CZ 3.45Å; L2970-F2998 VanDerWaalsContact CG-CZ 3.45Å; L2970-T3011 HydrophobicContact CB-CG2 3.7Å; L2970-T3011 HydrophobicContact CD1-CG2 3.58Å; L2970-T3011 HydrophobicContact CG-CG2 4.31Å; L2970-F3013 HydrophobicContact CD1-CB 3.8Å; L2970-F3013 HydrophobicContact CD2-CB 4.31Å; L2970-F3013 HydrophobicContact CD2-CD2 3.87Å; L2970-F3013 HydrophobicContact CD2-CE2 4.46Å; L2970-F3013 HydrophobicContact CD2-CG 4.25Å; L2970-I3126 HydrophobicContact CB-CG2 4.14Å; L2970-I3126 HydrophobicContact CD2-CD1 4.28Å; L2970-I3126 HydrophobicContact CD2-CG1 4.35Å |
| 2971 | R | 84.5 | Confident | 78.8 | Confident | 77.6667 Ų | 77.6667 | 43.4 Ų | 43.4 | 29% | 0.293 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.5 | -39.1 | 173.5 | -75.2 | 172.7 | 173.6 | -132.2 | -7.4 | 111.8 | D2967 F2968 V2973 S2974 S2975 I3128 E3132 | D2967-R2971 VanDerWaalsContact O-CB 3.27Å; D2967-R2971 WeakPolarHBondContact O-CB 3.39Å; D2967-R2971 WeakPolarHBondContact O-CD 3.49Å; D2967-R2971 WeakPolarHBondContact O-CG 3.44Å; D2967-R2971 PolarHBondContact O-N 2.96Å; F2968-R2971 PolarHBondContact O-N 3.23Å; R2971-V2973 VanDerWaalsContact C-N 3.34Å; R2971-S2974 PolarHBondContact O-N 2.94Å; R2971-S2975 VanDerWaalsContact O-CB 3.31Å; R2971-S2975 WeakPolarHBondContact O-CB 3.34Å; R2971-S2975 PolarHBondContact O-N 3.28Å; R2971-I3128 HydrophobicContact CG-CD1 4.16Å; R2971-I3128 HydrophobicContact CG-CG2 4.38Å; R2971-E3132 IonicContact CZ-OE1 3.1Å; R2971-E3132 IonicContact NH1-OE1 3.23Å; R2971-E3132 PolarHBondContact NH1-OE1 3.23Å; R2971-E3132 IonicContact NH2-OE1 3.18Å |
| 2972 | I | 79.3 | Confident | 77.5 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 19% | 0.19 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 173.7 | -75.2 | 169.5 | 0 | 0 | 0 | 110.6 | P2890 F2968 H2969 S2974 S2975 H2976 F2985 | P2890-I2972 HydrophobicContact CG-CG2 4.31Å; F2968-I2972 HydrophobicContact CD1-CD1 3.81Å; F2968-I2972 HydrophobicContact CD2-CD1 4.02Å; F2968-I2972 HydrophobicContact CE1-CD1 3.35Å; F2968-I2972 HydrophobicContact CE2-CD1 3.58Å; F2968-I2972 HydrophobicContact CE2-CG1 4.41Å; F2968-I2972 HydrophobicContact CG-CD1 4.14Å; F2968-I2972 HydrophobicContact CZ-CD1 3.24Å; F2968-I2972 HydrophobicContact CZ-CG1 4.46Å; F2968-I2972 WeakPolarHBondContact O-CG1 3.43Å; F2968-I2972 PolarHBondContact O-N 3.21Å; H2969-I2972 PolarHBondContact O-N 2.98Å; I2972-S2974 VanDerWaalsContact C-N 3.31Å; I2972-S2974 PolarHBondContact O-N 2.99Å; I2972-S2975 PolarHBondContact O-N 3.04Å; I2972-H2976 PolarHBondContact O-N 2.95Å; I2972-F2985 HydrophobicContact CG2-CD2 4.12Å; I2972-F2985 HydrophobicContact CG2-CE1 4.32Å; I2972-F2985 HydrophobicContact CG2-CE2 3.33Å; I2972-F2985 HydrophobicContact CG2-CZ 3.51Å; I2972-F2985 VanDerWaalsContact CG2-CZ 3.43Å; I2972-F2985 WeakPolarHBondContact O-CE2 3.3Å |
| 2973 | V | 80.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | H2969 L2970 R2971 S2975 H2976 V2977 F2985 L2991 F2994 L2995 L3096 I3126 | H2969-V2973 PolarHBondContact O-N 3.03Å; H2969-V2973 VanDerWaalsContact O-N 3.16Å; L2970-V2973 PolarHBondContact O-N 3.14Å; R2971-V2973 VanDerWaalsContact C-N 3.34Å; V2973-S2975 PolarHBondContact O-N 3.41Å; V2973-H2976 WeakPolarHBondContact O-CB 3.37Å; V2973-H2976 PolarHBondContact O-N 3.22Å; V2973-V2977 HydrophobicContact CG1-CG2 4.23Å; V2973-V2977 VanDerWaalsContact O-CG2 3.23Å; V2973-V2977 WeakPolarHBondContact O-CG2 3.36Å; V2973-V2977 PolarHBondContact O-N 3.18Å; V2973-F2985 HydrophobicContact CG2-CZ 4.18Å; V2973-L2991 HydrophobicContact CB-CD1 4.41Å; V2973-L2991 HydrophobicContact CG1-CD1 3.83Å; V2973-L2991 HydrophobicContact CG2-CD1 3.8Å; V2973-F2994 HydrophobicContact CG2-CD1 3.73Å; V2973-F2994 HydrophobicContact CG2-CE1 3.28Å; V2973-F2994 HydrophobicContact CG2-CZ 4.11Å; V2973-L2995 HydrophobicContact CG1-CD2 4.44Å; V2973-L3096 HydrophobicContact CG1-CD1 4.02Å; V2973-I3126 HydrophobicContact CB-CD1 4.17Å; V2973-I3126 HydrophobicContact CG1-CD1 3.59Å |
| 2974 | S | 80.9 | Confident | 74.9 | Confident | 6.33333 Ų | 6.33333 | 53.4 Ų | 53.4 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | -178.6 | -80.7 | 0 | 0 | 0 | 0 | 112 | L2970 R2971 I2972 H2976 V2977 S2978 H3094 I3126 I3128 | L2970-S2974 WeakPolarHBondContact O-CB 3.45Å; L2970-S2974 PolarHBondContact O-N 3.27Å; L2970-S2974 PolarHBondContact O-OG 2.99Å; R2971-S2974 PolarHBondContact O-N 2.94Å; I2972-S2974 VanDerWaalsContact C-N 3.31Å; I2972-S2974 PolarHBondContact O-N 2.99Å; S2974-H2976 VanDerWaalsContact C-N 3.27Å; S2974-H2976 PolarHBondContact O-N 3.38Å; S2974-V2977 WeakPolarHBondContact O-CB 3.24Å; S2974-V2977 PolarHBondContact O-N 3.27Å; S2974-V2977 VanDerWaalsContact O-N 3.1Å; S2974-S2978 WeakPolarHBondContact O-CB 3.3Å; S2974-S2978 PolarHBondContact O-N 3.21Å; S2974-S2978 PolarHBondContact O-OG 3.14Å; S2974-S2978 VanDerWaalsContact O-OG 3.09Å; S2974-H3094 PolarHBondContact OG-CD2 3.19Å; S2974-H3094 VanDerWaalsContact OG-CD2 3.28Å; S2974-H3094 PolarHBondContact OG-CE1 3.05Å; S2974-H3094 PolarHBondContact OG-NE2 3.02Å; S2974-I3126 WeakPolarHBondContact OG-CG2 3.39Å; S2974-I3128 VanDerWaalsContact OG-CD1 3.26Å; S2974-I3128 WeakPolarHBondContact OG-CD1 3.35Å |
| 2975 | S | 78.5 | Confident | 73.6 | Confident | 19.6667 Ų | 19.6667 | 48.9 Ų | 48.9 | 14% | 0.138 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 175.5 | -174.6 | 0 | 0 | 0 | 0 | 112 | R2971 I2972 V2973 S2978 G2979 E2980 | R2971-S2975 VanDerWaalsContact O-CB 3.31Å; R2971-S2975 WeakPolarHBondContact O-CB 3.34Å; R2971-S2975 PolarHBondContact O-N 3.28Å; I2972-S2975 PolarHBondContact O-N 3.04Å; V2973-S2975 PolarHBondContact O-N 3.41Å; S2975-S2978 PolarHBondContact O-N 2.9Å; S2975-G2979 PolarHBondContact O-N 3.05Å; S2975-G2979 VanDerWaalsContact O-N 3.08Å; S2975-E2980 WeakPolarHBondContact CB-OE2 3.33Å; S2975-E2980 PolarHBondContact O-N 3.44Å; S2975-E2980 VanDerWaalsContact O-N 3.1Å; S2975-E2980 WeakPolarHBondContact OG-CB 3.38Å; S2975-E2980 PolarHBondContact OG-OE2 3.28Å |
| 2976 | H | 75.8 | Confident | 72.3 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 22% | 0.218 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 175.1 | -176.8 | 71.6 | 0 | 0 | 0 | 113.4 | I2972 V2973 S2974 S2978 G2979 A2983 F2985 | I2972-H2976 PolarHBondContact O-N 2.95Å; V2973-H2976 WeakPolarHBondContact O-CB 3.37Å; V2973-H2976 PolarHBondContact O-N 3.22Å; S2974-H2976 VanDerWaalsContact C-N 3.27Å; S2974-H2976 PolarHBondContact O-N 3.38Å; H2976-S2978 VanDerWaalsContact C-N 3.34Å; H2976-G2979 PolarHBondContact O-N 3.39Å; H2976-A2983 VanDerWaalsContact CA-CB 3.41Å; H2976-A2983 HydrophobicContact CB-CB 3.87Å; H2976-F2985 HydrophobicContact CB-CD2 3.38Å; H2976-F2985 HydrophobicContact CB-CE2 3.27Å; H2976-F2985 HydrophobicContact CB-CZ 4.41Å; H2976-F2985 AromaticContact CD2-CD2 3.9Å; H2976-F2985 AromaticContact CE1-CD2 3.96Å; H2976-F2985 AromaticContact CG-CD2 3.3Å; H2976-F2985 AromaticContact CG-CE2 3.59Å; H2976-F2985 AromaticContact ND1-CD2 3.33Å; H2976-F2985 VanDerWaalsContact ND1-CD2 3.32Å; H2976-F2985 WeakPolarHBondContact ND1-CD2 3.46Å; H2976-F2985 AromaticContact ND1-CG 3.88Å |
| 2977 | V | 76.3 | Confident | 70.6 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 178 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | V2973 S2974 G2979 K3044 V3046 A3066 L3096 | V2973-V2977 HydrophobicContact CG1-CG2 4.23Å; V2973-V2977 VanDerWaalsContact O-CG2 3.23Å; V2973-V2977 WeakPolarHBondContact O-CG2 3.36Å; V2973-V2977 PolarHBondContact O-N 3.18Å; S2974-V2977 WeakPolarHBondContact O-CB 3.24Å; S2974-V2977 PolarHBondContact O-N 3.27Å; S2974-V2977 VanDerWaalsContact O-N 3.1Å; V2977-G2979 PolarHBondContact O-N 3.19Å; V2977-K3044 PolarHBondContact O-NZ 3.09Å; V2977-V3046 HydrophobicContact CG1-CG2 4.46Å; V2977-A3066 HydrophobicContact CG1-CB 3.62Å; V2977-L3096 HydrophobicContact CB-CD2 4.39Å; V2977-L3096 HydrophobicContact CG1-CD2 3.85Å; V2977-L3096 HydrophobicContact CG2-CD1 4.03Å; V2977-L3096 HydrophobicContact CG2-CD2 3.55Å; V2977-L3096 HydrophobicContact CG2-CG 4.28Å |
| 2978 | S | 75.9 | Confident | 69.1 | Low | 36 Ų | 36 | 57.6 Ų | 57.6 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.4 | -22.6 | 175.1 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | S2974 S2975 H2976 K3044 E3068 H3094 | S2974-S2978 WeakPolarHBondContact O-CB 3.3Å; S2974-S2978 PolarHBondContact O-N 3.21Å; S2974-S2978 PolarHBondContact O-OG 3.14Å; S2974-S2978 VanDerWaalsContact O-OG 3.09Å; S2975-S2978 PolarHBondContact O-N 2.9Å; H2976-S2978 VanDerWaalsContact C-N 3.34Å; S2978-K3044 VanDerWaalsContact C-NZ 3.33Å; S2978-K3044 PolarHBondContact O-NZ 3.08Å; S2978-E3068 WeakPolarHBondContact CA-OE1 3.4Å; S2978-E3068 WeakPolarHBondContact CB-OE1 3.29Å; S2978-E3068 PolarHBondContact N-OE1 2.88Å; S2978-E3068 PolarHBondContact OG-OE1 3.11Å; S2978-H3094 PolarHBondContact OG-CE1 3.18Å; S2978-H3094 VanDerWaalsContact OG-CE1 3.22Å |
| 2979 | G | 66.6 | Low | 68.1 | Low | 55 Ų | 55 | 55.7 Ų | 55.7 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 26 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S2975 H2976 V2977 | S2975-G2979 PolarHBondContact O-N 3.05Å; S2975-G2979 VanDerWaalsContact O-N 3.08Å; H2976-G2979 PolarHBondContact O-N 3.39Å; V2977-G2979 PolarHBondContact O-N 3.19Å |
| 2980 | E | 65.7 | Low | 67.4 | Low | 119.333 Ų | 119.333 | 57.8 Ų | 57.8 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | trans | -66.1 | 136.3 | 173.4 | -67 | -177.6 | 152.8 | 0 | 0 | 110 | S2975 N2982 A2983 | S2975-E2980 WeakPolarHBondContact CB-OE2 3.33Å; S2975-E2980 PolarHBondContact O-N 3.44Å; S2975-E2980 VanDerWaalsContact O-N 3.1Å; S2975-E2980 WeakPolarHBondContact OG-CB 3.38Å; S2975-E2980 PolarHBondContact OG-OE2 3.28Å; E2980-N2982 PolarHBondContact O-N 2.94Å; E2980-A2983 PolarHBondContact O-N 3.26Å; E2980-A2983 VanDerWaalsContact O-N 3.16Å | ||
| 2981 | K | 56.5 | Low | 66.9 | Low | 207.333 Ų | 207.333 | 58 Ų | 58 | 90% | 0.901 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -16.3 | -174.8 | -68.8 | -178.2 | 179.1 | 177.3 | 0 | 114.3 | ||
| 2982 | N | 53.5 | Low | 66.5 | Low | 136.333 Ų | 136.333 | 58.1 Ų | 58.1 | 73% | 0.729 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -0.3 | -175.2 | -64.5 | -12.4 | 0 | 0 | 0 | 113.7 | E2980 N2984 | E2980-N2982 PolarHBondContact O-N 2.94Å; N2982-N2984 VanDerWaalsContact C-N 3.34Å; N2982-N2984 PolarHBondContact O-N 3.32Å |
| 2983 | A | 53.7 | Low | 66.3 | Low | 20.6667 Ų | 20.6667 | 57.5 Ų | 57.5 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | trans | -74.2 | 88.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | H2976 E2980 F2985 | H2976-A2983 VanDerWaalsContact CA-CB 3.41Å; H2976-A2983 HydrophobicContact CB-CB 3.87Å; E2980-A2983 PolarHBondContact O-N 3.26Å; E2980-A2983 VanDerWaalsContact O-N 3.16Å; A2983-F2985 HydrophobicContact CB-CD2 4.43Å; A2983-F2985 PolarHBondContact O-N 3.15Å | ||
| 2984 | N | 53.6 | Low | 66.3 | Low | 136.333 Ų | 136.333 | 57.7 Ų | 57.7 | 73% | 0.729 | 32% | 0.323 | S | S | * | . | trans | -68.3 | 40.4 | -176.8 | -71.8 | -22.7 | 0 | 0 | 0 | 114.8 | N2982 C2986 | N2982-N2984 VanDerWaalsContact C-N 3.34Å; N2982-N2984 PolarHBondContact O-N 3.32Å; N2984-C2986 PolarHBondContact O-N 3.17Å | ||
| 2985 | F | 56.3 | Low | 66.4 | Low | 22.3333 Ų | 22.3333 | 57.4 Ų | 57.4 | 10% | 0.098 | 32% | 0.321 | C | S | . | . | trans | -67.2 | 127.5 | 165 | -77.2 | -83.5 | 0 | 0 | 0 | 108.8 | P2890 I2972 V2973 H2976 A2983 Y2989 L2991 | P2890-F2985 HydrophobicContact CB-CD1 3.56Å; P2890-F2985 VanDerWaalsContact CB-CD1 3.42Å; P2890-F2985 HydrophobicContact CB-CE1 3.26Å; P2890-F2985 HydrophobicContact CB-CG 4.41Å; P2890-F2985 HydrophobicContact CB-CZ 4.07Å; P2890-F2985 HydrophobicContact CG-CE1 4.36Å; I2972-F2985 HydrophobicContact CG2-CD2 4.12Å; I2972-F2985 HydrophobicContact CG2-CE1 4.32Å; I2972-F2985 HydrophobicContact CG2-CE2 3.33Å; I2972-F2985 HydrophobicContact CG2-CZ 3.51Å; I2972-F2985 VanDerWaalsContact CG2-CZ 3.43Å; I2972-F2985 WeakPolarHBondContact O-CE2 3.3Å; V2973-F2985 HydrophobicContact CG2-CZ 4.18Å; H2976-F2985 HydrophobicContact CB-CD2 3.38Å; H2976-F2985 HydrophobicContact CB-CE2 3.27Å; H2976-F2985 HydrophobicContact CB-CZ 4.41Å; H2976-F2985 AromaticContact CD2-CD2 3.9Å; H2976-F2985 AromaticContact CE1-CD2 3.96Å; H2976-F2985 AromaticContact CG-CD2 3.3Å; H2976-F2985 AromaticContact CG-CE2 3.59Å; H2976-F2985 AromaticContact ND1-CD2 3.33Å; H2976-F2985 VanDerWaalsContact ND1-CD2 3.32Å; H2976-F2985 WeakPolarHBondContact ND1-CD2 3.46Å; H2976-F2985 AromaticContact ND1-CG 3.88Å; A2983-F2985 HydrophobicContact CB-CD2 4.43Å; A2983-F2985 PolarHBondContact O-N 3.15Å; F2985-Y2989 AromaticContact CD1-CD1 3.26Å; F2985-Y2989 HydrophobicContact CD1-CD1 3.26Å; F2985-Y2989 AromaticContact CD1-CE1 3.94Å; F2985-Y2989 HydrophobicContact CD1-CE1 3.94Å; F2985-Y2989 AromaticContact CD1-CG 3.64Å; F2985-Y2989 HydrophobicContact CD1-CG 3.64Å; F2985-Y2989 AromaticContact CE1-CD1 3.27Å; F2985-Y2989 HydrophobicContact CE1-CD1 3.27Å; F2985-Y2989 AromaticContact CE1-CE1 3.49Å; F2985-Y2989 HydrophobicContact CE1-CE1 3.49Å; F2985-Y2989 VanDerWaalsContact CE1-CE1 3.46Å; F2985-Y2989 HydrophobicContact CE1-CG 4.09Å; F2985-Y2989 HydrophobicContact CZ-CD1 4.46Å; F2985-L2991 HydrophobicContact CZ-CD1 4.47Å | ||
| 2986 | C | 54.8 | Low | 66.4 | Low | 53.3333 Ų | 53.3333 | 62.4 Ų | 62.4 | 36% | 0.36 | 34% | 0.337 | S | S | . | . | trans | -56 | 136 | 168.5 | -77.6 | 0 | 0 | 0 | 0 | 108.6 | G2892 N2984 G2988 Y2989 | G2892-C2986 PolarHBondContact N-SG 3.11Å; G2892-C2986 VanDerWaalsContact N-SG 3.44Å; N2984-C2986 PolarHBondContact O-N 3.17Å; C2986-G2988 PolarHBondContact O-N 2.98Å; C2986-Y2989 PolarHBondContact O-N 3.03Å; C2986-Y2989 VanDerWaalsContact O-N 3.17Å | ||
| 2987 | P | 51.2 | Low | 66.6 | Low | 114 Ų | 114 | 61.4 Ų | 61.4 | 74% | 0.74 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 110 | 172.5 | -20.2 | 29.3 | 0 | 0 | 0 | 109.1 | S3050 | P2987-S3050 VanDerWaalsContact C-CB 3.48Å; P2987-S3050 WeakPolarHBondContact CA-OG 3.38Å; P2987-S3050 WeakPolarHBondContact CB-OG 3.28Å; P2987-S3050 PolarHBondContact O-OG 3.02Å |
| 2988 | G | 53 | Low | 67 | Low | 32.6667 Ų | 32.6667 | 61.4 Ų | 61.4 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 122.3 | -6.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | C2986 N2990 H3049 S3050 | C2986-G2988 PolarHBondContact O-N 2.98Å; G2988-N2990 PolarHBondContact O-N 3.3Å; G2988-H3049 PolarHBondContact O-ND1 3.1Å; G2988-S3050 WeakPolarHBondContact CA-O 3.42Å; G2988-S3050 WeakPolarHBondContact CA-OG 3.43Å; G2988-S3050 PolarHBondContact N-O 3.03Å; G2988-S3050 PolarHBondContact N-OG 3.12Å |
| 2989 | Y | 61.6 | Low | 67.2 | Low | 46.6667 Ų | 46.6667 | 60.4 Ų | 60.4 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | trans | -63 | 132.6 | -175.8 | -172.3 | -104.1 | 0 | 0 | 0 | 114.1 | D2889 P2890 F2985 C2986 L2991 F2994 | D2889-Y2989 WeakPolarHBondContact O-CE2 3.31Å; D2889-Y2989 PolarHBondContact O-OH 3.22Å; P2890-Y2989 VanDerWaalsContact CA-CZ 3.42Å; P2890-Y2989 HydrophobicContact CB-CD1 4.36Å; P2890-Y2989 HydrophobicContact CB-CE1 4.04Å; P2890-Y2989 HydrophobicContact CB-CE2 4.28Å; P2890-Y2989 WeakPolarHBondContact O-CD2 3.35Å; P2890-Y2989 WeakPolarHBondContact O-CE2 3.43Å; P2890-Y2989 VanDerWaalsContact O-CG 3.24Å; F2985-Y2989 AromaticContact CD1-CD1 3.26Å; F2985-Y2989 HydrophobicContact CD1-CD1 3.26Å; F2985-Y2989 AromaticContact CD1-CE1 3.94Å; F2985-Y2989 HydrophobicContact CD1-CE1 3.94Å; F2985-Y2989 AromaticContact CD1-CG 3.64Å; F2985-Y2989 HydrophobicContact CD1-CG 3.64Å; F2985-Y2989 AromaticContact CE1-CD1 3.27Å; F2985-Y2989 HydrophobicContact CE1-CD1 3.27Å; F2985-Y2989 AromaticContact CE1-CE1 3.49Å; F2985-Y2989 HydrophobicContact CE1-CE1 3.49Å; F2985-Y2989 VanDerWaalsContact CE1-CE1 3.46Å; F2985-Y2989 HydrophobicContact CE1-CG 4.09Å; F2985-Y2989 HydrophobicContact CZ-CD1 4.46Å; C2986-Y2989 PolarHBondContact O-N 3.03Å; C2986-Y2989 VanDerWaalsContact O-N 3.17Å; Y2989-L2991 PolarHBondContact O-N 3.11Å; Y2989-F2994 HydrophobicContact CE1-CB 3.53Å; Y2989-F2994 HydrophobicContact CE1-CD2 4.22Å; Y2989-F2994 AromaticContact CE1-CG 3.97Å; Y2989-F2994 HydrophobicContact CE1-CG 3.99Å; Y2989-F2994 WeakPolarHBondContact OH-CB 3.42Å; Y2989-F2994 WeakPolarHBondContact OH-CD2 3.36Å; Y2989-F2994 WeakPolarHBondContact OH-CG 3.09Å | ||
| 2990 | N | 70.1 | Confident | 67.8 | Low | 45 Ų | 45 | 61.4 Ų | 61.4 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | trans | -82.4 | 87 | -178.6 | -167 | -26.8 | 0 | 0 | 0 | 111.7 | G2988 R2992 S2993 F2994 H3049 | G2988-N2990 PolarHBondContact O-N 3.3Å; N2990-R2992 PolarHBondContact O-N 3.11Å; N2990-R2992 VanDerWaalsContact OD1-CB 3.32Å; N2990-R2992 WeakPolarHBondContact OD1-CB 3.36Å; N2990-R2992 PolarHBondContact OD1-N 3.07Å; N2990-R2992 VanDerWaalsContact OD1-N 3.15Å; N2990-S2993 VanDerWaalsContact CG-OG 3.26Å; N2990-S2993 PolarHBondContact ND2-OG 3.04Å; N2990-S2993 VanDerWaalsContact ND2-OG 3.09Å; N2990-S2993 PolarHBondContact O-N 3.09Å; N2990-S2993 PolarHBondContact OD1-N 3.24Å; N2990-F2994 PolarHBondContact O-N 3.15Å; N2990-F2994 VanDerWaalsContact O-N 3.08Å; N2990-H3049 WeakPolarHBondContact CB-CE1 3.4Å; N2990-H3049 PolarHBondContact ND2-CE1 3.08Å; N2990-H3049 PolarHBondContact ND2-NE2 2.98Å; N2990-H3049 VanDerWaalsContact ND2-NE2 3.11Å; N2990-H3049 PolarHBondContact OD1-NE2 3.24Å | ||
| 2991 | L | 75.5 | Confident | 68.3 | Low | 4.33333 Ų | 4.33333 | 56.8 Ų | 56.8 | 2% | 0.023 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.1 | -33 | 177.4 | -178.8 | 63.2 | 0 | 0 | 0 | 112.6 | V2973 F2985 Y2989 F2994 L2995 I3048 L3096 | V2973-L2991 HydrophobicContact CB-CD1 4.41Å; V2973-L2991 HydrophobicContact CG1-CD1 3.83Å; V2973-L2991 HydrophobicContact CG2-CD1 3.8Å; F2985-L2991 HydrophobicContact CZ-CD1 4.47Å; Y2989-L2991 PolarHBondContact O-N 3.11Å; L2991-F2994 HydrophobicContact CD1-CD1 4.3Å; L2991-F2994 PolarHBondContact O-N 3.16Å; L2991-L2995 HydrophobicContact CD1-CD1 4.43Å; L2991-L2995 HydrophobicContact CD1-CG 4.24Å; L2991-L2995 HydrophobicContact CG-CD1 4.17Å; L2991-L2995 HydrophobicContact CG-CG 4.41Å; L2991-L2995 WeakPolarHBondContact O-CG 3.37Å; L2991-L2995 PolarHBondContact O-N 3.11Å; L2991-I3048 HydrophobicContact CB-CG2 3.91Å; L2991-L3096 HydrophobicContact CD2-CD1 4.29Å |
| 2992 | R | 76.5 | Confident | 69.3 | Low | 79.6667 Ų | 79.6667 | 47.2 Ų | 47.2 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 178.2 | -177.9 | -177.4 | -164.9 | 155.2 | 17.9 | 111.7 | N2990 F2994 L2995 R2996 L3098 R3099 E3122 | N2990-R2992 PolarHBondContact O-N 3.11Å; N2990-R2992 VanDerWaalsContact OD1-CB 3.32Å; N2990-R2992 WeakPolarHBondContact OD1-CB 3.36Å; N2990-R2992 PolarHBondContact OD1-N 3.07Å; N2990-R2992 VanDerWaalsContact OD1-N 3.15Å; R2992-F2994 VanDerWaalsContact C-N 3.3Å; R2992-F2994 PolarHBondContact O-N 3.07Å; R2992-L2995 PolarHBondContact O-N 3.24Å; R2992-R2996 PolarHBondContact O-N 3.07Å; R2992-L3098 HydrophobicContact CB-CD2 3.82Å; R2992-L3098 HydrophobicContact CG-CD2 3.9Å; R2992-R3099 PolarHBondContact NH1-O 2.96Å; R2992-R3099 PolarHBondContact NH2-O 3.15Å; R2992-E3122 IonicContact NH2-OE2 3.41Å; R2992-E3122 PolarHBondContact NH2-OE2 3.04Å |
| 2993 | S | 74.9 | Confident | 70 | Confident | 25.3333 Ų | 25.3333 | 43.4 Ų | 43.4 | 18% | 0.177 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.7 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | N2990 R2996 D2997 H3260 | N2990-S2993 VanDerWaalsContact CG-OG 3.26Å; N2990-S2993 PolarHBondContact ND2-OG 3.04Å; N2990-S2993 VanDerWaalsContact ND2-OG 3.09Å; N2990-S2993 PolarHBondContact O-N 3.09Å; N2990-S2993 PolarHBondContact OD1-N 3.24Å; S2993-R2996 PolarHBondContact O-N 3.22Å; S2993-D2997 WeakPolarHBondContact O-CB 3.31Å; S2993-D2997 VanDerWaalsContact O-CG 3.25Å; S2993-D2997 PolarHBondContact O-N 3.31Å; S2993-H3260 WeakPolarHBondContact CB-NE2 3.36Å; S2993-H3260 PolarHBondContact OG-NE2 3.26Å |
| 2994 | F | 81.1 | Confident | 70.8 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -50.1 | 177 | 173.5 | -94.4 | 0 | 0 | 0 | 113.1 | I2888 H2969 V2973 Y2989 N2990 L2991 R2992 R2996 D2997 F2998 | I2888-F2994 HydrophobicContact CB-CD2 4.4Å; I2888-F2994 HydrophobicContact CB-CE2 4Å; I2888-F2994 HydrophobicContact CG2-CD2 3.74Å; I2888-F2994 HydrophobicContact CG2-CE2 3.85Å; H2969-F2994 HydrophobicContact CB-CZ 3.92Å; V2973-F2994 HydrophobicContact CG2-CD1 3.73Å; V2973-F2994 HydrophobicContact CG2-CE1 3.28Å; V2973-F2994 HydrophobicContact CG2-CZ 4.11Å; Y2989-F2994 HydrophobicContact CE1-CB 3.53Å; Y2989-F2994 HydrophobicContact CE1-CD2 4.22Å; Y2989-F2994 AromaticContact CE1-CG 3.97Å; Y2989-F2994 HydrophobicContact CE1-CG 3.99Å; Y2989-F2994 WeakPolarHBondContact OH-CB 3.42Å; Y2989-F2994 WeakPolarHBondContact OH-CD2 3.36Å; Y2989-F2994 WeakPolarHBondContact OH-CG 3.09Å; N2990-F2994 PolarHBondContact O-N 3.15Å; N2990-F2994 VanDerWaalsContact O-N 3.08Å; L2991-F2994 HydrophobicContact CD1-CD1 4.3Å; L2991-F2994 PolarHBondContact O-N 3.16Å; R2992-F2994 VanDerWaalsContact C-N 3.3Å; R2992-F2994 PolarHBondContact O-N 3.07Å; F2994-R2996 PolarHBondContact O-N 3.43Å; F2994-D2997 PolarHBondContact O-N 3.13Å; F2994-D2997 VanDerWaalsContact O-N 3.16Å; F2994-F2998 HydrophobicContact CE1-CB 4.3Å; F2994-F2998 HydrophobicContact CE1-CD2 4.41Å; F2994-F2998 HydrophobicContact CE1-CG 4.49Å; F2994-F2998 HydrophobicContact CZ-CB 4.49Å; F2994-F2998 HydrophobicContact CZ-CD2 4.11Å; F2994-F2998 WeakPolarHBondContact O-CB 3.33Å; F2994-F2998 PolarHBondContact O-N 3.18Å |
| 2995 | L | 83 | Confident | 72 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -37 | -178.4 | -70.8 | 172.7 | 0 | 0 | 0 | 111.5 | V2973 L2991 R2992 S2999 F3013 L3096 L3098 Y3124 | V2973-L2995 HydrophobicContact CG1-CD2 4.44Å; L2991-L2995 HydrophobicContact CD1-CD1 4.43Å; L2991-L2995 HydrophobicContact CD1-CG 4.24Å; L2991-L2995 HydrophobicContact CG-CD1 4.17Å; L2991-L2995 HydrophobicContact CG-CG 4.41Å; L2991-L2995 WeakPolarHBondContact O-CG 3.37Å; L2991-L2995 PolarHBondContact O-N 3.11Å; R2992-L2995 PolarHBondContact O-N 3.24Å; L2995-S2999 WeakPolarHBondContact O-CB 3.33Å; L2995-S2999 PolarHBondContact O-N 2.89Å; L2995-F3013 HydrophobicContact CD2-CE2 3.99Å; L2995-F3013 HydrophobicContact CD2-CZ 4.3Å; L2995-L3096 HydrophobicContact CD1-CD1 3.92Å; L2995-L3098 HydrophobicContact CD1-CD1 4.32Å; L2995-Y3124 HydrophobicContact CB-CD1 4.33Å; L2995-Y3124 HydrophobicContact CB-CE1 4.18Å; L2995-Y3124 HydrophobicContact CB-CE2 4.42Å; L2995-Y3124 HydrophobicContact CB-CG 4.48Å; L2995-Y3124 HydrophobicContact CD1-CD2 3.81Å; L2995-Y3124 HydrophobicContact CD1-CE2 4.26Å; L2995-Y3124 HydrophobicContact CD1-CG 3.94Å |
| 2996 | R | 79.2 | Confident | 73 | Confident | 125 Ų | 125 | 38.7 Ų | 38.7 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.9 | -46.4 | 175 | -167 | -173.3 | 70.7 | -176 | 1 | 111.8 | R2992 S2993 F2994 F2998 S2999 L3000 | R2992-R2996 PolarHBondContact O-N 3.07Å; S2993-R2996 PolarHBondContact O-N 3.22Å; F2994-R2996 PolarHBondContact O-N 3.43Å; R2996-F2998 VanDerWaalsContact C-N 3.31Å; R2996-F2998 PolarHBondContact O-N 2.78Å; R2996-S2999 PolarHBondContact O-N 3.14Å; R2996-S2999 PolarHBondContact O-OG 3.35Å; R2996-S2999 VanDerWaalsContact O-OG 3.08Å; R2996-L3000 HydrophobicContact CG-CD1 4.37Å; R2996-L3000 WeakPolarHBondContact O-CB 3.19Å; R2996-L3000 VanDerWaalsContact O-CG 3.24Å; R2996-L3000 WeakPolarHBondContact O-CG 3.35Å; R2996-L3000 PolarHBondContact O-N 3.16Å |
| 2997 | D | 78.8 | Confident | 73.6 | Confident | 26.6667 Ų | 26.6667 | 38.1 Ų | 38.1 | 14% | 0.143 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -35.7 | -180 | -70.2 | -2.2 | 0 | 0 | 0 | 111.2 | S2993 F2994 L3000 Y3001 H3260 L3263 | S2993-D2997 WeakPolarHBondContact O-CB 3.31Å; S2993-D2997 VanDerWaalsContact O-CG 3.25Å; S2993-D2997 PolarHBondContact O-N 3.31Å; F2994-D2997 PolarHBondContact O-N 3.13Å; F2994-D2997 VanDerWaalsContact O-N 3.16Å; D2997-L3000 PolarHBondContact O-N 3.29Å; D2997-Y3001 WeakPolarHBondContact O-CB 3.26Å; D2997-Y3001 PolarHBondContact O-N 2.95Å; D2997-H3260 IonicContact OD2-CE1 3.49Å; D2997-H3260 PolarHBondContact OD2-CE1 2.82Å; D2997-H3260 VanDerWaalsContact OD2-CE1 3.28Å; D2997-H3260 IonicContact OD2-ND1 2.77Å; D2997-L3263 HydrophobicContact CB-CD1 3.78Å |
| 2998 | F | 84.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 171.6 | -176.5 | -86.9 | 0 | 0 | 0 | 111.6 | I2888 Y2966 H2969 L2970 F2994 R2996 L3000 Y3001 Y3002 F3013 | I2888-F2998 HydrophobicContact CD1-CB 4.49Å; I2888-F2998 HydrophobicContact CD1-CD2 4.43Å; Y2966-F2998 HydrophobicContact CD2-CE1 4.2Å; Y2966-F2998 HydrophobicContact CD2-CE2 4.19Å; Y2966-F2998 AromaticContact CD2-CZ 3.44Å; Y2966-F2998 HydrophobicContact CD2-CZ 3.44Å; Y2966-F2998 VanDerWaalsContact CD2-CZ 3.44Å; Y2966-F2998 AromaticContact CE2-CE1 3.68Å; Y2966-F2998 HydrophobicContact CE2-CE1 3.68Å; Y2966-F2998 HydrophobicContact CE2-CE2 4.46Å; Y2966-F2998 AromaticContact CE2-CZ 3.36Å; Y2966-F2998 HydrophobicContact CE2-CZ 3.36Å; Y2966-F2998 HydrophobicContact CG-CZ 4.11Å; Y2966-F2998 AromaticContact CZ-CZ 3.98Å; H2969-F2998 HydrophobicContact CB-CD2 3.95Å; H2969-F2998 HydrophobicContact CB-CE2 3.55Å; H2969-F2998 AromaticContact ND1-CE2 3.98Å; L2970-F2998 HydrophobicContact CD1-CE1 3.98Å; L2970-F2998 HydrophobicContact CD1-CZ 3.66Å; L2970-F2998 HydrophobicContact CD2-CD1 4.16Å; L2970-F2998 HydrophobicContact CD2-CE1 3.61Å; L2970-F2998 HydrophobicContact CD2-CE2 4.23Å; L2970-F2998 HydrophobicContact CD2-CZ 3.65Å; L2970-F2998 HydrophobicContact CG-CE1 3.91Å; L2970-F2998 HydrophobicContact CG-CE2 4.05Å; L2970-F2998 HydrophobicContact CG-CZ 3.45Å; L2970-F2998 VanDerWaalsContact CG-CZ 3.45Å; F2994-F2998 HydrophobicContact CE1-CB 4.3Å; F2994-F2998 HydrophobicContact CE1-CD2 4.41Å; F2994-F2998 HydrophobicContact CE1-CG 4.49Å; F2994-F2998 HydrophobicContact CZ-CB 4.49Å; F2994-F2998 HydrophobicContact CZ-CD2 4.11Å; F2994-F2998 WeakPolarHBondContact O-CB 3.33Å; F2994-F2998 PolarHBondContact O-N 3.18Å; R2996-F2998 VanDerWaalsContact C-N 3.31Å; R2996-F2998 PolarHBondContact O-N 2.78Å; F2998-L3000 VanDerWaalsContact C-N 3.29Å; F2998-L3000 PolarHBondContact O-N 3.1Å; F2998-Y3001 PolarHBondContact O-N 2.86Å; F2998-Y3002 HydrophobicContact CD1-CD2 4.38Å; F2998-Y3002 AromaticContact CD2-CD2 3.59Å; F2998-Y3002 HydrophobicContact CD2-CD2 3.59Å; F2998-Y3002 AromaticContact CD2-CE2 3.85Å; F2998-Y3002 HydrophobicContact CD2-CE2 3.85Å; F2998-Y3002 HydrophobicContact CE1-CD2 4.16Å; F2998-Y3002 AromaticContact CE2-CD2 3.33Å; F2998-Y3002 HydrophobicContact CE2-CD2 3.33Å; F2998-Y3002 AromaticContact CE2-CE2 3.5Å; F2998-Y3002 HydrophobicContact CE2-CE2 3.5Å; F2998-Y3002 VanDerWaalsContact CE2-CE2 3.46Å; F2998-Y3002 HydrophobicContact CE2-CG 4.37Å; F2998-Y3002 HydrophobicContact CG-CD2 4.11Å; F2998-Y3002 AromaticContact CZ-CD2 3.65Å; F2998-Y3002 HydrophobicContact CZ-CD2 3.65Å; F2998-Y3002 HydrophobicContact CZ-CE2 4.18Å; F2998-Y3002 HydrophobicContact CZ-CG 4.29Å; F2998-Y3002 PolarHBondContact O-N 2.88Å; F2998-F3013 HydrophobicContact CD1-CD1 4.12Å; F2998-F3013 HydrophobicContact CD1-CE1 4.05Å; F2998-F3013 HydrophobicContact CD1-CG 4.45Å; F2998-F3013 HydrophobicContact CD1-CZ 4.33Å; F2998-F3013 HydrophobicContact CE1-CB 4.38Å; F2998-F3013 AromaticContact CE1-CD1 3.93Å; F2998-F3013 HydrophobicContact CE1-CD1 3.98Å; F2998-F3013 HydrophobicContact CE1-CE1 4.38Å; F2998-F3013 HydrophobicContact CE1-CG 4.1Å |
| 2999 | S | 81 | Confident | 76 | Confident | 15 Ų | 15 | 34.2 Ų | 34.2 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.1 | -31.3 | 177.6 | 79.8 | 0 | 0 | 0 | 0 | 112.7 | L2995 R2996 E3015 R3167 | L2995-S2999 WeakPolarHBondContact O-CB 3.33Å; L2995-S2999 PolarHBondContact O-N 2.89Å; R2996-S2999 PolarHBondContact O-N 3.14Å; R2996-S2999 PolarHBondContact O-OG 3.35Å; R2996-S2999 VanDerWaalsContact O-OG 3.08Å; S2999-E3015 WeakPolarHBondContact CB-OE2 3.45Å; S2999-E3015 PolarHBondContact OG-OE2 3.18Å; S2999-R3167 PolarHBondContact O-NH2 3.17Å |
| 3000 | L | 78.8 | Confident | 76.7 | Confident | 76.3333 Ų | 76.3333 | 35.9 Ų | 35.9 | 40% | 0.4 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -74.4 | -40.6 | 175 | -71.9 | 170.5 | 0 | 0 | 0 | 112.3 | R2996 D2997 F2998 | R2996-L3000 HydrophobicContact CG-CD1 4.37Å; R2996-L3000 WeakPolarHBondContact O-CB 3.19Å; R2996-L3000 VanDerWaalsContact O-CG 3.24Å; R2996-L3000 WeakPolarHBondContact O-CG 3.35Å; R2996-L3000 PolarHBondContact O-N 3.16Å; D2997-L3000 PolarHBondContact O-N 3.29Å; F2998-L3000 VanDerWaalsContact C-N 3.29Å; F2998-L3000 PolarHBondContact O-N 3.1Å |
| 3001 | Y | 75.9 | Confident | 77.5 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 9% | 0.09 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.2 | -53.2 | -179.9 | -173.8 | -96.2 | 0 | 0 | 0 | 111.3 | P2886 I2888 H2962 D2997 F2998 A3003 E3266 | P2886-Y3001 WeakPolarHBondContact CD-OH 3.19Å; P2886-Y3001 HydrophobicContact CG-CD2 4.43Å; P2886-Y3001 HydrophobicContact CG-CE1 3.84Å; P2886-Y3001 HydrophobicContact CG-CE2 3.54Å; P2886-Y3001 VanDerWaalsContact CG-CE2 3.46Å; P2886-Y3001 VanDerWaalsContact CG-OH 3.27Å; P2886-Y3001 WeakPolarHBondContact CG-OH 3.4Å; I2888-Y3001 HydrophobicContact CD1-CD1 4.04Å; I2888-Y3001 HydrophobicContact CD1-CG 4.27Å; H2962-Y3001 AromaticContact CE1-CE1 3.82Å; D2997-Y3001 WeakPolarHBondContact O-CB 3.26Å; D2997-Y3001 PolarHBondContact O-N 2.95Å; F2998-Y3001 PolarHBondContact O-N 2.86Å; Y3001-A3003 PolarHBondContact O-N 3.14Å; Y3001-A3003 VanDerWaalsContact O-N 3.11Å; Y3001-E3266 HydrophobicContact CE2-CB 4.46Å; Y3001-E3266 WeakPolarHBondContact CE2-OE2 3.37Å; Y3001-E3266 PolarHBondContact OH-OE2 2.64Å |
| 3002 | Y | 77.9 | Confident | 78.1 | Confident | 6.5 Ų | 6.5 | 33.7 Ų | 33.7 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | trans | -91.2 | 70.9 | 178.3 | -65.8 | -74.5 | 0 | 0 | 0 | 111.3 | I2888 H2962 Y2966 H2969 F2998 C3004 P3006 M3166 | I2888-Y3002 HydrophobicContact CD1-CE2 4.45Å; H2962-Y3002 AromaticContact CE1-CE1 3.4Å; H2962-Y3002 VanDerWaalsContact CE1-CE1 3.4Å; H2962-Y3002 WeakPolarHBondContact CE1-CE1 3.42Å; H2962-Y3002 AromaticContact NE2-CD1 3.78Å; H2962-Y3002 AromaticContact NE2-CE1 3.36Å; H2962-Y3002 WeakPolarHBondContact NE2-CE1 3.39Å; Y2966-Y3002 AromaticContact CD2-CD1 3.6Å; Y2966-Y3002 HydrophobicContact CD2-CD1 3.6Å; Y2966-Y3002 AromaticContact CD2-CD2 3.9Å; Y2966-Y3002 HydrophobicContact CD2-CD2 3.9Å; Y2966-Y3002 AromaticContact CD2-CE1 3.93Å; Y2966-Y3002 HydrophobicContact CD2-CE1 3.99Å; Y2966-Y3002 HydrophobicContact CD2-CE2 4.29Å; Y2966-Y3002 AromaticContact CD2-CG 3.54Å; Y2966-Y3002 HydrophobicContact CD2-CG 3.54Å; Y2966-Y3002 HydrophobicContact CE2-CD1 4.4Å; Y2966-Y3002 HydrophobicContact CE2-CD2 4.49Å; Y2966-Y3002 HydrophobicContact CE2-CG 4.04Å; Y2966-Y3002 HydrophobicContact CG-CD1 4.46Å; Y2966-Y3002 HydrophobicContact CG-CE1 4.43Å; Y2966-Y3002 PolarHBondContact N-OH 2.69Å; H2969-Y3002 AromaticContact ND1-CE2 3.75Å; F2998-Y3002 HydrophobicContact CD1-CD2 4.38Å; F2998-Y3002 AromaticContact CD2-CD2 3.59Å; F2998-Y3002 HydrophobicContact CD2-CD2 3.59Å; F2998-Y3002 AromaticContact CD2-CE2 3.85Å; F2998-Y3002 HydrophobicContact CD2-CE2 3.85Å; F2998-Y3002 HydrophobicContact CE1-CD2 4.16Å; F2998-Y3002 AromaticContact CE2-CD2 3.33Å; F2998-Y3002 HydrophobicContact CE2-CD2 3.33Å; F2998-Y3002 AromaticContact CE2-CE2 3.5Å; F2998-Y3002 HydrophobicContact CE2-CE2 3.5Å; F2998-Y3002 VanDerWaalsContact CE2-CE2 3.46Å; F2998-Y3002 HydrophobicContact CE2-CG 4.37Å; F2998-Y3002 HydrophobicContact CG-CD2 4.11Å; F2998-Y3002 AromaticContact CZ-CD2 3.65Å; F2998-Y3002 HydrophobicContact CZ-CD2 3.65Å; F2998-Y3002 HydrophobicContact CZ-CE2 4.18Å; F2998-Y3002 HydrophobicContact CZ-CG 4.29Å; F2998-Y3002 PolarHBondContact O-N 2.88Å; Y3002-C3004 PolarHBondContact O-N 3.31Å; Y3002-P3006 HydrophobicContact CD1-CG 4.3Å; Y3002-P3006 HydrophobicContact CE1-CG 4.37Å; Y3002-M3166 WeakPolarHBondContact O-CE 3.42Å | ||
| 3003 | A | 68.9 | Low | 78.6 | Confident | 55 Ų | 55 | 30.7 Ų | 30.7 | 46% | 0.455 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -62.5 | -28.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y3001 | Y3001-A3003 PolarHBondContact O-N 3.14Å; Y3001-A3003 VanDerWaalsContact O-N 3.11Å |
| 3004 | C | 70.7 | Confident | 79.2 | Confident | 39 Ų | 39 | 30.3 Ų | 30.3 | 26% | 0.264 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -127.7 | 145.7 | 172.8 | -167.1 | 0 | 0 | 0 | 0 | 109.6 | Y3002 Y3270 | Y3002-C3004 PolarHBondContact O-N 3.31Å; C3004-Y3270 HydrophobicContact CB-CD2 3.76Å; C3004-Y3270 HydrophobicContact CB-CE2 3.92Å; C3004-Y3270 HydrophobicContact CB-CG 4.32Å |
| 3005 | R | 78.4 | Confident | 79.4 | Confident | 32 Ų | 32 | 32.5 Ų | 32.5 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | trans | -69.6 | 130.1 | 177.4 | -172.9 | 179.7 | 72 | 102.3 | 8.7 | 109.7 | Y2966 A3009 Y3012 M3166 | Y2966-R3005 HydrophobicContact CE1-CG 4.08Å; R3005-A3009 HydrophobicContact CG-CB 4.07Å; R3005-A3009 PolarHBondContact NH1-O 2.95Å; R3005-Y3012 VanDerWaalsContact CZ-CZ 3.44Å; R3005-Y3012 PolarHBondContact NH1-OH 3.24Å; R3005-Y3012 PolarHBondContact NH2-OH 3.16Å; R3005-M3166 HydrophobicContact CB-CE 3.84Å; R3005-M3166 VanDerWaalsContact N-CE 3.34Å | ||
| 3006 | P | 76.1 | Confident | 79.6 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 7% | 0.065 | 17% | 0.165 | C | C | . | . | trans | -59 | 140.3 | 171.9 | -23.8 | 34.4 | 0 | 0 | 0 | 111.6 | S2963 Y2966 Y3002 F3008 A3009 | S2963-P3006 VanDerWaalsContact OG-CB 3.25Å; S2963-P3006 WeakPolarHBondContact OG-CB 3.38Å; Y2966-P3006 VanDerWaalsContact CD2-CD 3.46Å; Y2966-P3006 HydrophobicContact CD2-CG 4.04Å; Y2966-P3006 HydrophobicContact CG-CG 3.97Å; Y3002-P3006 HydrophobicContact CD1-CG 4.3Å; Y3002-P3006 HydrophobicContact CE1-CG 4.37Å; P3006-F3008 PolarHBondContact O-N 3.01Å; P3006-F3008 VanDerWaalsContact O-N 3.16Å; P3006-A3009 HydrophobicContact CB-CB 4.18Å; P3006-A3009 HydrophobicContact CG-CB 4.48Å; P3006-A3009 VanDerWaalsContact O-CB 3.29Å; P3006-A3009 WeakPolarHBondContact O-CB 3.29Å; P3006-A3009 PolarHBondContact O-N 2.82Å; P3006-A3009 VanDerWaalsContact O-N 3.07Å | ||
| 3007 | L | 68.4 | Low | 79.9 | Confident | 41 Ų | 41 | 30 Ų | 30 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -36.2 | -171.9 | -164.1 | 79.8 | 0 | 0 | 0 | 113.3 | F3140 I3274 | L3007-F3140 HydrophobicContact CD2-CZ 4.35Å; L3007-I3274 HydrophobicContact CD1-CG1 4.45Å; L3007-I3274 HydrophobicContact CD1-CG2 4.49Å |
| 3008 | F | 73.7 | Confident | 80.3 | Confident | 62 Ų | 62 | 29 Ų | 29 | 27% | 0.272 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 6.9 | -176.4 | -56.8 | -90.6 | 0 | 0 | 0 | 113.2 | H2960 P3006 Y3137 F3140 | H2960-F3008 HydrophobicContact CB-CB 4.02Å; H2960-F3008 HydrophobicContact CB-CD2 4.35Å; H2960-F3008 HydrophobicContact CB-CG 4.38Å; H2960-F3008 AromaticContact CD2-CD1 3.58Å; H2960-F3008 VanDerWaalsContact CD2-CD1 3.42Å; H2960-F3008 WeakPolarHBondContact CD2-CD1 3.12Å; H2960-F3008 AromaticContact CD2-CD2 3.87Å; H2960-F3008 AromaticContact CD2-CE1 3.92Å; H2960-F3008 AromaticContact CD2-CG 3.43Å; H2960-F3008 WeakPolarHBondContact CD2-CG 3.42Å; H2960-F3008 AromaticContact CE1-CD1 3.66Å; H2960-F3008 AromaticContact CE1-CD2 3.19Å; H2960-F3008 WeakPolarHBondContact CE1-CD2 3.33Å; H2960-F3008 AromaticContact CE1-CE1 3.5Å; H2960-F3008 WeakPolarHBondContact CE1-CE1 3.49Å; H2960-F3008 AromaticContact CE1-CE2 3.05Å; H2960-F3008 WeakPolarHBondContact CE1-CE2 3.42Å; H2960-F3008 AromaticContact CE1-CG 3.5Å; H2960-F3008 VanDerWaalsContact CE1-CG 3.42Å; H2960-F3008 WeakPolarHBondContact CE1-CG 3.32Å; H2960-F3008 AromaticContact CE1-CZ 3.21Å; H2960-F3008 WeakPolarHBondContact CE1-CZ 3.17Å; H2960-F3008 AromaticContact CG-CD2 3.61Å; H2960-F3008 AromaticContact CG-CG 3.56Å; H2960-F3008 VanDerWaalsContact CG-CG 3.47Å; H2960-F3008 AromaticContact ND1-CD2 3.18Å; H2960-F3008 WeakPolarHBondContact ND1-CD2 3.35Å; H2960-F3008 AromaticContact ND1-CE2 3.45Å; H2960-F3008 WeakPolarHBondContact ND1-CE2 3.31Å; H2960-F3008 AromaticContact ND1-CG 3.61Å; H2960-F3008 AromaticContact ND1-CZ 3.95Å; H2960-F3008 AromaticContact NE2-CD1 3.2Å; H2960-F3008 VanDerWaalsContact NE2-CD1 3.28Å; H2960-F3008 WeakPolarHBondContact NE2-CD1 3.23Å; H2960-F3008 AromaticContact NE2-CD2 3.62Å; H2960-F3008 AromaticContact NE2-CE1 3.24Å; H2960-F3008 WeakPolarHBondContact NE2-CE1 3.35Å; H2960-F3008 AromaticContact NE2-CE2 3.68Å; H2960-F3008 AromaticContact NE2-CG 3.39Å; H2960-F3008 WeakPolarHBondContact NE2-CG 3.23Å; H2960-F3008 AromaticContact NE2-CZ 3.49Å; H2960-F3008 WeakPolarHBondContact NE2-CZ 3.44Å; P3006-F3008 PolarHBondContact O-N 3.01Å; P3006-F3008 VanDerWaalsContact O-N 3.16Å; F3008-Y3137 AromaticContact CD1-CE2 3.72Å; F3008-Y3137 HydrophobicContact CD1-CE2 3.72Å; F3008-Y3137 AromaticContact CD1-CZ 3.92Å; F3008-Y3137 WeakPolarHBondContact CD1-OH 3.31Å; F3008-Y3137 HydrophobicContact CE1-CD2 4.46Å; F3008-Y3137 HydrophobicContact CE1-CE1 4.34Å; F3008-Y3137 AromaticContact CE1-CE2 3.41Å; F3008-Y3137 HydrophobicContact CE1-CE2 3.41Å; F3008-Y3137 VanDerWaalsContact CE1-CE2 3.41Å; F3008-Y3137 AromaticContact CE1-CZ 3.33Å; F3008-Y3137 WeakPolarHBondContact CE1-OH 3.02Å; F3008-F3140 HydrophobicContact CE1-CE2 4.16Å; F3008-F3140 HydrophobicContact CZ-CE2 4.29Å; F3008-F3140 HydrophobicContact CZ-CZ 4.43Å |
| 3009 | A | 80.1 | Confident | 80.4 | Confident | 3.5 Ų | 3.5 | 31.1 Ų | 31.1 | 3% | 0.029 | 16% | 0.163 | C | C | . | . | trans | -67 | 136.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y2966 R3005 P3006 | Y2966-A3009 HydrophobicContact CD1-CB 3.44Å; Y2966-A3009 VanDerWaalsContact CD1-CB 3.44Å; Y2966-A3009 HydrophobicContact CE1-CB 3.8Å; Y2966-A3009 HydrophobicContact CG-CB 4.21Å; R3005-A3009 HydrophobicContact CG-CB 4.07Å; R3005-A3009 PolarHBondContact NH1-O 2.95Å; P3006-A3009 HydrophobicContact CB-CB 4.18Å; P3006-A3009 HydrophobicContact CG-CB 4.48Å; P3006-A3009 VanDerWaalsContact O-CB 3.29Å; P3006-A3009 WeakPolarHBondContact O-CB 3.29Å; P3006-A3009 PolarHBondContact O-N 2.82Å; P3006-A3009 VanDerWaalsContact O-N 3.07Å | ||
| 3010 | R | 77.8 | Confident | 80.5 | Confident | 81 Ų | 81 | 30.6 Ų | 30.6 | 31% | 0.306 | 16% | 0.159 | S | C | . | . | trans | -94 | -18 | -179.4 | -58 | -177.3 | -175.3 | -177.6 | 3.2 | 112.4 | D2967 E3132 | D2967-R3010 VanDerWaalsContact CG-N 3.31Å; D2967-R3010 PolarHBondContact OD1-N 3.43Å; D2967-R3010 WeakPolarHBondContact OD2-CB 3.33Å; D2967-R3010 PolarHBondContact OD2-N 3.3Å; R3010-E3132 PolarHBondContact NH1-O 3.15Å | ||
| 3011 | T | 85.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 145.8 | 177.3 | -43.3 | 0 | 0 | 0 | 0 | 109.7 | Y2966 D2967 L2970 I3126 F3127 I3128 | Y2966-T3011 WeakPolarHBondContact CE1-O 3.41Å; D2967-T3011 VanDerWaalsContact OD1-CB 3.27Å; D2967-T3011 WeakPolarHBondContact OD1-CB 3.29Å; D2967-T3011 PolarHBondContact OD1-N 3.1Å; D2967-T3011 PolarHBondContact OD1-OG1 3.14Å; L2970-T3011 HydrophobicContact CB-CG2 3.7Å; L2970-T3011 HydrophobicContact CD1-CG2 3.58Å; L2970-T3011 HydrophobicContact CG-CG2 4.31Å; T3011-I3126 HydrophobicContact CG2-CG2 3.65Å; T3011-F3127 CarbonylContact C-O 3.53Å; T3011-F3127 VanDerWaalsContact CA-O 3.28Å; T3011-F3127 WeakPolarHBondContact CA-O 3.45Å; T3011-F3127 WeakPolarHBondContact CG2-O 3.32Å; T3011-I3128 HydrophobicContact CG2-CG1 3.64Å |
| 3012 | Y | 87.3 | Confident | 80.7 | Confident | 4.5 Ų | 4.5 | 37 Ų | 37 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.9 | 170.4 | -65.5 | -106.6 | 0 | 0 | 0 | 109.5 | R3005 F3014 Y3091 I3126 F3127 M3281 Q3282 L3285 | R3005-Y3012 VanDerWaalsContact CZ-CZ 3.44Å; R3005-Y3012 PolarHBondContact NH1-OH 3.24Å; R3005-Y3012 PolarHBondContact NH2-OH 3.16Å; Y3012-F3014 HydrophobicContact CD1-CE2 4.49Å; Y3012-F3014 HydrophobicContact CD1-CZ 4.07Å; Y3012-F3014 HydrophobicContact CG-CZ 4.47Å; Y3012-Y3091 HydrophobicContact CD2-CE1 4.27Å; Y3012-Y3091 HydrophobicContact CE2-CE1 4.19Å; Y3012-I3126 CarbonylContact O-C 3.54Å; Y3012-I3126 WeakPolarHBondContact O-CA 3.33Å; Y3012-F3127 PolarHBondContact N-O 3.14Å; Y3012-F3127 PolarHBondContact O-N 3.12Å; Y3012-M3281 HydrophobicContact CE2-CG 4.49Å; Y3012-M3281 HydrophobicContact CE2-SD 4.05Å; Y3012-M3281 PolarHBondContact OH-SD 3.37Å; Y3012-Q3282 HydrophobicContact CD1-CB 4.49Å; Y3012-Q3282 HydrophobicContact CD1-CG 4.46Å; Y3012-Q3282 HydrophobicContact CE1-CB 4.08Å; Y3012-Q3282 HydrophobicContact CE1-CG 4.48Å; Y3012-L3285 HydrophobicContact CD1-CD1 4.14Å; Y3012-L3285 HydrophobicContact CD2-CD1 3.54Å; Y3012-L3285 HydrophobicContact CE1-CD1 4.46Å; Y3012-L3285 HydrophobicContact CE2-CD1 3.94Å; Y3012-L3285 HydrophobicContact CG-CD1 3.68Å |
| 3013 | F | 88.2 | Confident | 80.7 | Confident | 16.5 Ų | 16.5 | 38.2 Ų | 38.2 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.7 | 177.6 | 176.1 | -107.7 | 0 | 0 | 0 | 109.2 | Y2966 L2970 L2995 F2998 Y3124 S3125 I3126 M3166 | Y2966-F3013 VanDerWaalsContact OH-CB 3.31Å; Y2966-F3013 WeakPolarHBondContact OH-CB 3.31Å; Y2966-F3013 PolarHBondContact OH-N 3.12Å; L2970-F3013 HydrophobicContact CD1-CB 3.8Å; L2970-F3013 HydrophobicContact CD2-CB 4.31Å; L2970-F3013 HydrophobicContact CD2-CD2 3.87Å; L2970-F3013 HydrophobicContact CD2-CE2 4.46Å; L2970-F3013 HydrophobicContact CD2-CG 4.25Å; L2995-F3013 HydrophobicContact CD2-CE2 3.99Å; L2995-F3013 HydrophobicContact CD2-CZ 4.3Å; F2998-F3013 HydrophobicContact CD1-CD1 4.12Å; F2998-F3013 HydrophobicContact CD1-CE1 4.05Å; F2998-F3013 HydrophobicContact CD1-CG 4.45Å; F2998-F3013 HydrophobicContact CD1-CZ 4.33Å; F2998-F3013 HydrophobicContact CE1-CB 4.38Å; F2998-F3013 AromaticContact CE1-CD1 3.93Å; F2998-F3013 HydrophobicContact CE1-CD1 3.98Å; F2998-F3013 HydrophobicContact CE1-CE1 4.38Å; F2998-F3013 HydrophobicContact CE1-CG 4.1Å; F3013-Y3124 HydrophobicContact CE1-CD1 4.46Å; F3013-Y3124 AromaticContact CE2-CD1 3.75Å; F3013-Y3124 HydrophobicContact CE2-CD1 3.75Å; F3013-Y3124 HydrophobicContact CE2-CG 4.32Å; F3013-Y3124 AromaticContact CZ-CD1 3.42Å; F3013-Y3124 HydrophobicContact CZ-CD1 3.42Å; F3013-Y3124 VanDerWaalsContact CZ-CD1 3.42Å; F3013-Y3124 HydrophobicContact CZ-CE1 4.03Å; F3013-Y3124 HydrophobicContact CZ-CG 4.39Å; F3013-S3125 CarbonylContact C-O 3.51Å; F3013-S3125 WeakPolarHBondContact CA-O 3.47Å; F3013-I3126 HydrophobicContact CD2-CG1 3.99Å; F3013-I3126 HydrophobicContact CE2-CG1 4.47Å; F3013-M3166 HydrophobicContact CB-SD 4.2Å; F3013-M3166 HydrophobicContact CD1-SD 3.59Å; F3013-M3166 VanDerWaalsContact CD1-SD 3.59Å; F3013-M3166 HydrophobicContact CG-SD 4.37Å; F3013-M3166 WeakPolarHBondContact O-CG 3.38Å; F3013-M3166 VanDerWaalsContact O-SD 3.33Å |
| 3014 | F | 87.2 | Confident | 81.2 | Confident | 16 Ų | 16 | 43 Ų | 43 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.3 | 175.7 | -53.7 | -79.6 | 0 | 0 | 0 | 110 | Y3012 Y3124 S3125 F3127 Q3282 L3285 L3286 | Y3012-F3014 HydrophobicContact CD1-CE2 4.49Å; Y3012-F3014 HydrophobicContact CD1-CZ 4.07Å; Y3012-F3014 HydrophobicContact CG-CZ 4.47Å; F3014-Y3124 WeakPolarHBondContact O-CA 3.34Å; F3014-S3125 PolarHBondContact N-O 3.33Å; F3014-S3125 PolarHBondContact O-N 3.18Å; F3014-F3127 AromaticContact CD2-CD2 3.78Å; F3014-F3127 HydrophobicContact CD2-CD2 3.78Å; F3014-F3127 AromaticContact CD2-CE2 3.58Å; F3014-F3127 HydrophobicContact CD2-CE2 3.58Å; F3014-F3127 AromaticContact CE2-CD2 3.66Å; F3014-F3127 HydrophobicContact CE2-CD2 3.66Å; F3014-F3127 AromaticContact CE2-CE2 3.68Å; F3014-F3127 HydrophobicContact CE2-CE2 3.68Å; F3014-Q3282 HydrophobicContact CE1-CG 3.78Å; F3014-Q3282 HydrophobicContact CZ-CG 3.91Å; F3014-L3285 HydrophobicContact CE2-CB 3.99Å; F3014-L3285 HydrophobicContact CZ-CB 4.27Å; F3014-L3286 HydrophobicContact CD1-CD1 3.89Å; F3014-L3286 HydrophobicContact CE1-CB 4.3Å; F3014-L3286 HydrophobicContact CE1-CD1 4.29Å; F3014-L3286 HydrophobicContact CG-CD1 4.21Å; F3014-L3286 HydrophobicContact CZ-CB 4.42Å |
| 3015 | E | 85.2 | Confident | 81.6 | Confident | 50.5 Ų | 50.5 | 41.3 Ų | 41.3 | 24% | 0.236 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119.6 | 175.5 | 177.3 | 174.8 | -155 | 0 | 0 | 108.9 | S2999 Y3124 | S2999-E3015 WeakPolarHBondContact CB-OE2 3.45Å; S2999-E3015 PolarHBondContact OG-OE2 3.18Å; E3015-Y3124 HydrophobicContact CB-CD1 4.12Å; E3015-Y3124 HydrophobicContact CB-CE1 4.07Å; E3015-Y3124 HydrophobicContact CG-CD1 4.08Å; E3015-Y3124 HydrophobicContact CG-CE1 3.6Å; E3015-Y3124 WeakPolarHBondContact OE1-CE1 3.27Å; E3015-Y3124 PolarHBondContact OE1-OH 3.05Å |
| 3016 | E | 86.9 | Confident | 81.7 | Confident | 22.5 Ų | 22.5 | 42.8 Ų | 42.8 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 159.3 | 179.2 | -63.3 | -164.3 | 98.6 | 0 | 0 | 111.4 | E3122 I3123 N3290 | E3016-E3122 CarbonylContact O-C 3.6Å; E3016-E3122 WeakPolarHBondContact O-CA 3.23Å; E3016-I3123 HydrophobicContact CB-CB 4.28Å; E3016-I3123 PolarHBondContact N-O 3.38Å; E3016-I3123 PolarHBondContact O-N 2.98Å; E3016-N3290 PolarHBondContact OE1-OD1 3.37Å |
| 3017 | E | 86.5 | Confident | 81.9 | Confident | 48 Ų | 48 | 43 Ų | 43 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.2 | 175.7 | -174.2 | 170.4 | -172.4 | 0 | 0 | 109.8 | K3100 V3121 R3168 K3293 | E3017-K3100 VanDerWaalsContact OE1-CD 3.25Å; E3017-K3100 WeakPolarHBondContact OE1-CD 3.44Å; E3017-K3100 IonicContact OE1-NZ 3.58Å; E3017-K3100 PolarHBondContact OE1-NZ 2.91Å; E3017-K3100 IonicContact OE2-NZ 2.93Å; E3017-K3100 PolarHBondContact OE2-NZ 3.29Å; E3017-V3121 WeakPolarHBondContact CA-O 3.36Å; E3017-R3168 IonicContact OE2-NH2 3.5Å; E3017-R3168 PolarHBondContact OE2-NH2 3.3Å; E3017-K3293 WeakPolarHBondContact O-CE 3.35Å; E3017-K3293 PolarHBondContact O-NZ 3.16Å |
| 3018 | L | 86.7 | Confident | 82.5 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.3 | 174.4 | 179.4 | 64.7 | 0 | 0 | 0 | 109.2 | L3020 V3121 I3123 K3293 L3296 R3297 I3300 | L3018-L3020 HydrophobicContact CD1-CD2 4.22Å; L3018-L3020 HydrophobicContact CD1-CG 4.48Å; L3018-L3020 HydrophobicContact CD2-CD1 4.27Å; L3018-L3020 HydrophobicContact CG-CD1 4.48Å; L3018-L3020 HydrophobicContact CG-CG 4.25Å; L3018-V3121 HydrophobicContact CB-CG2 4.26Å; L3018-V3121 PolarHBondContact N-O 2.82Å; L3018-V3121 WeakPolarHBondContact O-CG2 3.4Å; L3018-V3121 PolarHBondContact O-N 3.3Å; L3018-I3123 HydrophobicContact CB-CD1 4.04Å; L3018-K3293 HydrophobicContact CD1-CG 4.32Å; L3018-L3296 HydrophobicContact CD2-CD2 4.12Å; L3018-L3296 HydrophobicContact CD2-CG 4.3Å; L3018-R3297 HydrophobicContact CD1-CB 4.45Å; L3018-R3297 HydrophobicContact CD2-CB 4.34Å; L3018-I3300 HydrophobicContact CD2-CD1 4.16Å |
| 3019 | S | 86.6 | Confident | 82.8 | Confident | 44.5 Ų | 44.5 | 46 Ų | 46 | 31% | 0.311 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.6 | 176 | -5.2 | 0 | 0 | 0 | 0 | 109.7 | L3119 | S3019-L3119 WeakPolarHBondContact CA-O 3.41Å |
| 3020 | L | 83.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.8 | -179.3 | -61.5 | 171.3 | 0 | 0 | 0 | 110.1 | L3018 L3023 W3118 L3119 R3297 I3300 | L3018-L3020 HydrophobicContact CD1-CD2 4.22Å; L3018-L3020 HydrophobicContact CD1-CG 4.48Å; L3018-L3020 HydrophobicContact CD2-CD1 4.27Å; L3018-L3020 HydrophobicContact CG-CD1 4.48Å; L3018-L3020 HydrophobicContact CG-CG 4.25Å; L3020-L3023 HydrophobicContact CB-CD1 4.49Å; L3020-L3023 HydrophobicContact CB-CD2 4.38Å; L3020-W3118 CarbonylContact O-C 3.57Å; L3020-W3118 WeakPolarHBondContact O-CA 3.39Å; L3020-L3119 PolarHBondContact N-O 2.95Å; L3020-L3119 PolarHBondContact O-N 3.18Å; L3020-R3297 HydrophobicContact CD2-CB 4.41Å; L3020-R3297 HydrophobicContact CD2-CG 3.66Å; L3020-R3297 VanDerWaalsContact CD2-CZ 3.46Å; L3020-R3297 VanDerWaalsContact CD2-NH1 3.31Å; L3020-I3300 HydrophobicContact CD1-CB 3.69Å; L3020-I3300 HydrophobicContact CD1-CD1 3.71Å; L3020-I3300 HydrophobicContact CD1-CG1 4.3Å; L3020-I3300 HydrophobicContact CD1-CG2 3.47Å; L3020-I3300 VanDerWaalsContact CD1-CG2 3.47Å |
| 3021 | S | 81.1 | Confident | 83.5 | Confident | 49 Ų | 49 | 43 Ų | 43 | 34% | 0.343 | 21% | 0.214 | S | C | . | . | trans | -108.2 | 170.1 | 174 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | L3023 | S3021-L3023 PolarHBondContact O-N 3.1Š| ||
| 3022 | E | 76.9 | Confident | 83.4 | Confident | 186.5 Ų | 186.5 | 48.7 Ų | 48.7 | 87% | 0.871 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 63.8 | 35.8 | 175 | -54.9 | 176.2 | -176.5 | 0 | 0 | 114.3 | ||
| 3023 | L | 79 | Confident | 83.3 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | trans | -77.9 | 136.6 | 177.3 | -61.7 | 164.3 | 0 | 0 | 0 | 110.2 | L3020 S3021 S3025 P3027 L3030 L3119 I3300 | L3020-L3023 HydrophobicContact CB-CD1 4.49Å; L3020-L3023 HydrophobicContact CB-CD2 4.38Å; S3021-L3023 PolarHBondContact O-N 3.1Å; L3023-S3025 VanDerWaalsContact C-N 3.27Å; L3023-S3025 WeakPolarHBondContact CB-O 3.39Å; L3023-S3025 PolarHBondContact O-N 2.96Å; L3023-P3027 HydrophobicContact CD1-CG 4.45Å; L3023-L3030 HydrophobicContact CB-CD2 4.47Å; L3023-L3030 HydrophobicContact CD1-CD2 3.94Å; L3023-L3030 HydrophobicContact CD2-CD2 3.81Å; L3023-L3030 HydrophobicContact CG-CD2 4.29Å; L3023-L3119 HydrophobicContact CD1-CB 3.43Å; L3023-L3119 VanDerWaalsContact CD1-CB 3.43Å; L3023-L3119 HydrophobicContact CD1-CD2 4.38Å; L3023-I3300 HydrophobicContact CD2-CG2 4.36Å | ||
| 3024 | R | 77.9 | Confident | 83.3 | Confident | 154.5 Ų | 154.5 | 49.1 Ų | 49.1 | 58% | 0.583 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -69.6 | -25.6 | 176.9 | -69.2 | -172.3 | 179.3 | -169.8 | 1.1 | 112.8 | S3304 Y3308 | R3024-S3304 PolarHBondContact N-OG 3.41Å; R3024-S3304 VanDerWaalsContact N-OG 3.12Å; R3024-Y3308 HydrophobicContact CB-CD1 4.47Å; R3024-Y3308 HydrophobicContact CB-CD2 4.47Å; R3024-Y3308 HydrophobicContact CB-CG 4.06Å; R3024-Y3308 WeakPolarHBondContact O-CD2 3.44Å |
| 3025 | S | 79.3 | Confident | 83.3 | Confident | 3.5 Ų | 3.5 | 49.1 Ų | 49.1 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -108.1 | 147.3 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | L3023 S3304 C3307 Y3308 | L3023-S3025 VanDerWaalsContact C-N 3.27Å; L3023-S3025 WeakPolarHBondContact CB-O 3.39Å; L3023-S3025 PolarHBondContact O-N 2.96Å; S3025-S3304 PolarHBondContact N-OG 3.11Å; S3025-S3304 PolarHBondContact OG-O 3.14Å; S3025-C3307 WeakPolarHBondContact OG-CB 3.32Å; S3025-Y3308 WeakPolarHBondContact OG-CA 3.23Å; S3025-Y3308 WeakPolarHBondContact OG-CB 3.35Å; S3025-Y3308 PolarHBondContact OG-N 2.7Å |
| 3026 | P | 80.8 | Confident | 83.3 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 42% | 0.422 | 26% | 0.255 | S | S | . | . | trans | -53.5 | 136.2 | 172.3 | -24 | 33.4 | 0 | 0 | 0 | 111.2 | D3028 E3029 L3030 | P3026-D3028 VanDerWaalsContact C-N 3.27Å; P3026-D3028 PolarHBondContact O-N 3.34Å; P3026-D3028 VanDerWaalsContact O-N 3.11Å; P3026-E3029 HydrophobicContact CB-CB 4.33Å; P3026-E3029 HydrophobicContact CB-CG 4.31Å; P3026-E3029 WeakPolarHBondContact CD-OE2 3.09Å; P3026-E3029 HydrophobicContact CG-CG 4.48Å; P3026-E3029 PolarHBondContact O-N 3.36Å; P3026-E3029 VanDerWaalsContact O-N 3.08Å; P3026-L3030 WeakPolarHBondContact O-CB 3.36Å; P3026-L3030 PolarHBondContact O-N 3.06Å | ||
| 3027 | P | 80.5 | Confident | 83.2 | Confident | 13 Ų | 13 | 54 Ų | 54 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.4 | -37.2 | -175.9 | -30 | 35.9 | 0 | 0 | 0 | 114.6 | L3023 Y3031 L3119 | L3023-P3027 HydrophobicContact CD1-CG 4.45Å; P3027-Y3031 WeakPolarHBondContact O-CB 3.48Å; P3027-Y3031 PolarHBondContact O-N 3.15Å; P3027-L3119 HydrophobicContact CB-CB 4.03Å; P3027-L3119 HydrophobicContact CB-CD1 4.1Å |
| 3028 | D | 80.3 | Confident | 83.1 | Confident | 71.5 Ų | 71.5 | 51.9 Ų | 51.9 | 38% | 0.382 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 178.2 | -70.7 | -40.4 | 0 | 0 | 0 | 112.4 | P3026 R3032 R3099 | P3026-D3028 VanDerWaalsContact C-N 3.27Å; P3026-D3028 PolarHBondContact O-N 3.34Å; P3026-D3028 VanDerWaalsContact O-N 3.11Å; D3028-R3032 WeakPolarHBondContact O-CB 3.39Å; D3028-R3032 PolarHBondContact O-N 3.08Å; D3028-R3032 VanDerWaalsContact O-N 3.15Å; D3028-R3032 PolarHBondContact O-NH1 3.39Å; D3028-R3099 IonicContact OD1-CZ 2.73Å; D3028-R3099 IonicContact OD1-NH1 3.09Å; D3028-R3099 PolarHBondContact OD1-NH1 3.26Å; D3028-R3099 IonicContact OD1-NH2 3.59Å; D3028-R3099 PolarHBondContact OD1-NH2 3.29Å; D3028-R3099 IonicContact OD2-NH2 2.82Å; D3028-R3099 PolarHBondContact OD2-NH2 2.81Å |
| 3029 | E | 81 | Confident | 83.1 | Confident | 94 Ų | 94 | 57.4 Ų | 57.4 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 178.8 | -69.8 | -179.7 | 179.9 | 0 | 0 | 110.2 | P3026 R3032 Y3033 | P3026-E3029 HydrophobicContact CB-CB 4.33Å; P3026-E3029 HydrophobicContact CB-CG 4.31Å; P3026-E3029 WeakPolarHBondContact CD-OE2 3.09Å; P3026-E3029 HydrophobicContact CG-CG 4.48Å; P3026-E3029 PolarHBondContact O-N 3.36Å; P3026-E3029 VanDerWaalsContact O-N 3.08Å; E3029-R3032 PolarHBondContact O-N 2.85Å; E3029-Y3033 VanDerWaalsContact O-CB 3.23Å; E3029-Y3033 WeakPolarHBondContact O-CB 3.25Å; E3029-Y3033 PolarHBondContact O-N 2.89Å |
| 3030 | L | 85.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.5 | 179.3 | 54.9 | 0 | 0 | 0 | 112.6 | L3023 P3026 R3032 Y3033 L3034 L3119 I3300 A3303 C3307 | L3023-L3030 HydrophobicContact CB-CD2 4.47Å; L3023-L3030 HydrophobicContact CD1-CD2 3.94Å; L3023-L3030 HydrophobicContact CD2-CD2 3.81Å; L3023-L3030 HydrophobicContact CG-CD2 4.29Å; P3026-L3030 WeakPolarHBondContact O-CB 3.36Å; P3026-L3030 PolarHBondContact O-N 3.06Å; L3030-R3032 VanDerWaalsContact C-N 3.33Å; L3030-R3032 PolarHBondContact O-N 3Å; L3030-Y3033 WeakPolarHBondContact O-CB 3.34Å; L3030-Y3033 PolarHBondContact O-N 3.22Å; L3030-L3034 HydrophobicContact CD1-CD1 4.48Å; L3030-L3034 HydrophobicContact CD1-CG 4.44Å; L3030-L3034 HydrophobicContact CG-CD1 4.4Å; L3030-L3034 WeakPolarHBondContact O-CG 3.22Å; L3030-L3034 PolarHBondContact O-N 3.01Å; L3030-L3119 HydrophobicContact CD2-CD2 4.03Å; L3030-L3119 HydrophobicContact CG-CD2 4.38Å; L3030-I3300 HydrophobicContact CD2-CG2 3.87Å; L3030-A3303 HydrophobicContact CD1-CB 4.07Å; L3030-C3307 HydrophobicContact CD1-CB 4.17Å |
| 3031 | Y | 86.7 | Confident | 82.9 | Confident | 21.5 Ų | 21.5 | 61.8 Ų | 61.8 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -39.8 | 178.4 | -172.2 | -103.5 | 0 | 0 | 0 | 111.5 | P3027 Y3033 L3034 L3035 L3065 V3097 R3099 V3121 | P3027-Y3031 WeakPolarHBondContact O-CB 3.48Å; P3027-Y3031 PolarHBondContact O-N 3.15Å; Y3031-Y3033 VanDerWaalsContact C-N 3.33Å; Y3031-Y3033 PolarHBondContact O-N 2.9Å; Y3031-L3034 PolarHBondContact O-N 2.88Å; Y3031-L3035 HydrophobicContact CD1-CD1 3.88Å; Y3031-L3035 HydrophobicContact CD1-CG 4.41Å; Y3031-L3035 HydrophobicContact CE1-CD1 3.61Å; Y3031-L3035 HydrophobicContact CE1-CG 4.13Å; Y3031-L3035 WeakPolarHBondContact O-CG 3.37Å; Y3031-L3035 PolarHBondContact O-N 3.35Å; Y3031-L3065 HydrophobicContact CE2-CD1 4.07Å; Y3031-V3097 PolarHBondContact OH-O 3.4Å; Y3031-R3099 HydrophobicContact CD1-CB 3.99Å; Y3031-R3099 HydrophobicContact CD2-CB 4.15Å; Y3031-R3099 HydrophobicContact CE1-CB 3.81Å; Y3031-R3099 HydrophobicContact CE2-CB 3.99Å; Y3031-R3099 HydrophobicContact CG-CB 4.15Å; Y3031-R3099 PolarHBondContact OH-N 3.3Å; Y3031-V3121 HydrophobicContact CD2-CG1 4.3Å; Y3031-V3121 HydrophobicContact CE2-CG1 3.96Å |
| 3032 | R | 84.1 | Confident | 83 | Confident | 120.5 Ų | 120.5 | 62 Ų | 62 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 174.6 | -169.2 | -177.8 | -68.4 | 97.5 | -2.7 | 111.9 | D3028 E3029 L3030 L3035 N3036 S3060 | D3028-R3032 WeakPolarHBondContact O-CB 3.39Å; D3028-R3032 PolarHBondContact O-N 3.08Å; D3028-R3032 VanDerWaalsContact O-N 3.15Å; D3028-R3032 PolarHBondContact O-NH1 3.39Å; E3029-R3032 PolarHBondContact O-N 2.85Å; L3030-R3032 VanDerWaalsContact C-N 3.33Å; L3030-R3032 PolarHBondContact O-N 3Å; R3032-L3035 PolarHBondContact O-N 2.89Å; R3032-N3036 PolarHBondContact O-N 2.8Å; R3032-S3060 PolarHBondContact NE-OG 3.33Å |
| 3033 | Y | 86 | Confident | 83.6 | Confident | 27.5 Ų | 27.5 | 53.6 Ų | 53.6 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62 | -47.8 | 174.9 | -176.6 | -90.5 | 0 | 0 | 0 | 111 | E3029 L3030 Y3031 L3035 N3036 K3037 Y3041 Q3306 C3307 D3310 | E3029-Y3033 VanDerWaalsContact O-CB 3.23Å; E3029-Y3033 WeakPolarHBondContact O-CB 3.25Å; E3029-Y3033 PolarHBondContact O-N 2.89Å; L3030-Y3033 WeakPolarHBondContact O-CB 3.34Å; L3030-Y3033 PolarHBondContact O-N 3.22Å; Y3031-Y3033 VanDerWaalsContact C-N 3.33Å; Y3031-Y3033 PolarHBondContact O-N 2.9Å; Y3033-L3035 VanDerWaalsContact C-N 3.31Å; Y3033-L3035 PolarHBondContact O-N 3.03Å; Y3033-N3036 PolarHBondContact O-N 2.83Å; Y3033-K3037 HydrophobicContact CD1-CD 4.3Å; Y3033-K3037 HydrophobicContact CD2-CD 4.07Å; Y3033-K3037 HydrophobicContact CE1-CD 3.72Å; Y3033-K3037 HydrophobicContact CE2-CD 3.47Å; Y3033-K3037 VanDerWaalsContact CE2-CD 3.47Å; Y3033-K3037 HydrophobicContact CG-CD 4.46Å; Y3033-K3037 WeakPolarHBondContact O-CB 3.31Å; Y3033-K3037 PolarHBondContact O-N 2.77Å; Y3033-K3037 WeakPolarHBondContact OH-CD 3.25Å; Y3033-K3037 PolarHBondContact OH-NZ 2.92Å; Y3033-Y3041 HydrophobicContact CE1-CE2 4.21Å; Y3033-Y3041 WeakPolarHBondContact CE1-OH 3.37Å; Y3033-Q3306 HydrophobicContact CE1-CB 4.44Å; Y3033-C3307 HydrophobicContact CD1-CB 3.71Å; Y3033-C3307 HydrophobicContact CD2-CB 3.83Å; Y3033-C3307 HydrophobicContact CE1-CB 3.94Å; Y3033-C3307 HydrophobicContact CE2-CB 4.06Å; Y3033-C3307 HydrophobicContact CG-CB 3.63Å; Y3033-D3310 HydrophobicContact CE2-CB 4.05Å; Y3033-D3310 WeakPolarHBondContact CE2-OD2 3.33Å; Y3033-D3310 VanDerWaalsContact CZ-OD2 3.29Å; Y3033-D3310 PolarHBondContact OH-OD2 3.21Å |
| 3034 | L | 87.6 | Confident | 83.9 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 173.9 | -75.1 | 165.9 | 0 | 0 | 0 | 112 | L3030 Y3031 K3037 A3038 Y3041 L3065 I3300 A3303 | L3030-L3034 HydrophobicContact CD1-CD1 4.48Å; L3030-L3034 HydrophobicContact CD1-CG 4.44Å; L3030-L3034 HydrophobicContact CG-CD1 4.4Å; L3030-L3034 WeakPolarHBondContact O-CG 3.22Å; L3030-L3034 PolarHBondContact O-N 3.01Å; Y3031-L3034 PolarHBondContact O-N 2.88Å; L3034-K3037 CarbonylContact O-C 3.49Å; L3034-K3037 PolarHBondContact O-N 3.22Å; L3034-A3038 WeakPolarHBondContact O-CA 3.38Å; L3034-A3038 WeakPolarHBondContact O-CB 3.26Å; L3034-A3038 PolarHBondContact O-N 3.24Å; L3034-Y3041 HydrophobicContact CD2-CD2 3.89Å; L3034-Y3041 HydrophobicContact CD2-CE2 4.08Å; L3034-Y3041 HydrophobicContact CD2-CG 4.4Å; L3034-L3065 HydrophobicContact CB-CD1 3.81Å; L3034-L3065 HydrophobicContact CD1-CD1 4.43Å; L3034-I3300 HydrophobicContact CD1-CG1 3.99Å; L3034-A3303 HydrophobicContact CD2-CB 3.43Å; L3034-A3303 VanDerWaalsContact CD2-CB 3.43Å; L3034-A3303 HydrophobicContact CG-CB 4.12Å |
| 3035 | L | 86.4 | Confident | 84.2 | Confident | 15.5 Ų | 15.5 | 49.7 Ų | 49.7 | 8% | 0.081 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.4 | -74.8 | 171.4 | 0 | 0 | 0 | 112.8 | Y3031 R3032 Y3033 A3045 R3063 L3065 | Y3031-L3035 HydrophobicContact CD1-CD1 3.88Å; Y3031-L3035 HydrophobicContact CD1-CG 4.41Å; Y3031-L3035 HydrophobicContact CE1-CD1 3.61Å; Y3031-L3035 HydrophobicContact CE1-CG 4.13Å; Y3031-L3035 WeakPolarHBondContact O-CG 3.37Å; Y3031-L3035 PolarHBondContact O-N 3.35Å; R3032-L3035 PolarHBondContact O-N 2.89Å; Y3033-L3035 VanDerWaalsContact C-N 3.31Å; Y3033-L3035 PolarHBondContact O-N 3.03Å; L3035-A3045 HydrophobicContact CD2-CB 4.34Å; L3035-A3045 WeakPolarHBondContact O-CB 3.34Å; L3035-R3063 HydrophobicContact CD1-CB 4.23Å; L3035-R3063 HydrophobicContact CD2-CB 3.79Å; L3035-R3063 WeakPolarHBondContact CD2-O 3.34Å; L3035-L3065 HydrophobicContact CD2-CD2 3.92Å; L3035-L3065 HydrophobicContact CD2-CG 3.83Å; L3035-L3065 HydrophobicContact CG-CG 4.49Å |
| 3036 | N | 85.4 | Confident | 84.1 | Confident | 114.5 Ų | 114.5 | 50.4 Ų | 50.4 | 61% | 0.612 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -73.2 | -30.3 | -178.5 | -72 | -13.8 | 0 | 0 | 0 | 112.7 | R3032 Y3033 | R3032-N3036 PolarHBondContact O-N 2.8Å; Y3033-N3036 PolarHBondContact O-N 2.83Å |
| 3037 | K | 84.6 | Confident | 83.7 | Confident | 61.5 Ų | 61.5 | 53.2 Ų | 53.2 | 27% | 0.267 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 21.6 | -176.5 | -74.2 | 178.4 | 148.8 | -160.5 | 0 | 112.9 | Y3033 L3034 T3039 M3040 Y3041 D3310 | Y3033-K3037 HydrophobicContact CD1-CD 4.3Å; Y3033-K3037 HydrophobicContact CD2-CD 4.07Å; Y3033-K3037 HydrophobicContact CE1-CD 3.72Å; Y3033-K3037 HydrophobicContact CE2-CD 3.47Å; Y3033-K3037 VanDerWaalsContact CE2-CD 3.47Å; Y3033-K3037 HydrophobicContact CG-CD 4.46Å; Y3033-K3037 WeakPolarHBondContact O-CB 3.31Å; Y3033-K3037 PolarHBondContact O-N 2.77Å; Y3033-K3037 WeakPolarHBondContact OH-CD 3.25Å; Y3033-K3037 PolarHBondContact OH-NZ 2.92Å; L3034-K3037 CarbonylContact O-C 3.49Å; L3034-K3037 PolarHBondContact O-N 3.22Å; K3037-T3039 PolarHBondContact O-N 3.29Å; K3037-T3039 VanDerWaalsContact O-N 3.13Å; K3037-M3040 HydrophobicContact CB-CE 3.62Å; K3037-M3040 HydrophobicContact CD-CE 3.32Å; K3037-M3040 HydrophobicContact CG-CE 3.6Å; K3037-M3040 WeakPolarHBondContact O-CB 3.4Å; K3037-M3040 PolarHBondContact O-N 3.3Å; K3037-Y3041 HydrophobicContact CB-CE2 4.18Å; K3037-Y3041 WeakPolarHBondContact O-CD2 3.44Å; K3037-D3310 IonicContact NZ-OD2 3.67Å; K3037-D3310 PolarHBondContact NZ-OD2 3.1Å |
| 3038 | A | 85.5 | Confident | 83.1 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -52.2 | -42.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L3034 M3040 Y3041 G3042 L3043 A3045 L3065 | L3034-A3038 WeakPolarHBondContact O-CA 3.38Å; L3034-A3038 WeakPolarHBondContact O-CB 3.26Å; L3034-A3038 PolarHBondContact O-N 3.24Å; A3038-M3040 VanDerWaalsContact C-N 3.27Å; A3038-M3040 PolarHBondContact O-N 3.25Å; A3038-Y3041 PolarHBondContact O-N 3.24Å; A3038-G3042 PolarHBondContact O-N 3.24Å; A3038-L3043 CarbonylContact C-O 3.54Å; A3038-L3043 HydrophobicContact CB-CB 4.11Å; A3038-L3043 WeakPolarHBondContact CB-O 3.41Å; A3038-L3043 CarbonylContact O-C 3.38Å; A3038-L3043 WeakPolarHBondContact O-CA 3.33Å; A3038-L3043 WeakPolarHBondContact O-CB 3.38Å; A3038-L3043 PolarHBondContact O-N 2.94Å; A3038-L3043 VanDerWaalsContact O-O 3.05Å; A3038-A3045 HydrophobicContact CB-CB 4.12Å; A3038-L3065 HydrophobicContact CB-CD2 3.71Å |
| 3039 | T | 85.3 | Confident | 82.1 | Confident | 121.5 Ų | 121.5 | 52.3 Ų | 52.3 | 75% | 0.745 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -63.7 | -28.7 | -178.5 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | K3037 Y3041 G3042 L3043 | K3037-T3039 PolarHBondContact O-N 3.29Å; K3037-T3039 VanDerWaalsContact O-N 3.13Å; T3039-Y3041 VanDerWaalsContact C-N 3.25Å; T3039-Y3041 PolarHBondContact O-N 2.82Å; T3039-G3042 PolarHBondContact O-N 3.06Å; T3039-L3043 PolarHBondContact N-O 3.32Å |
| 3040 | M | 82.7 | Confident | 80.7 | Confident | 110.5 Ų | 110.5 | 50 Ų | 50 | 54% | 0.544 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -68.3 | -26.9 | 176.1 | -64.2 | -158 | -57.5 | 0 | 0 | 112.3 | K3037 A3038 | K3037-M3040 HydrophobicContact CB-CE 3.62Å; K3037-M3040 HydrophobicContact CD-CE 3.32Å; K3037-M3040 HydrophobicContact CG-CE 3.6Å; K3037-M3040 WeakPolarHBondContact O-CB 3.4Å; K3037-M3040 PolarHBondContact O-N 3.3Å; A3038-M3040 VanDerWaalsContact C-N 3.27Å; A3038-M3040 PolarHBondContact O-N 3.25Å |
| 3041 | Y | 84.9 | Confident | 78.8 | Confident | 29.5 Ų | 29.5 | 53.8 Ų | 53.8 | 12% | 0.116 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -100.1 | 13.5 | 179.8 | -59.7 | -68.8 | 0 | 0 | 0 | 112.8 | Y3033 L3034 K3037 A3038 T3039 L3043 T3299 A3303 Q3306 | Y3033-Y3041 HydrophobicContact CE1-CE2 4.21Å; Y3033-Y3041 WeakPolarHBondContact CE1-OH 3.37Å; L3034-Y3041 HydrophobicContact CD2-CD2 3.89Å; L3034-Y3041 HydrophobicContact CD2-CE2 4.08Å; L3034-Y3041 HydrophobicContact CD2-CG 4.4Å; K3037-Y3041 HydrophobicContact CB-CE2 4.18Å; K3037-Y3041 WeakPolarHBondContact O-CD2 3.44Å; A3038-Y3041 PolarHBondContact O-N 3.24Å; T3039-Y3041 VanDerWaalsContact C-N 3.25Å; T3039-Y3041 PolarHBondContact O-N 2.82Å; Y3041-L3043 PolarHBondContact O-N 3.1Å; Y3041-T3299 HydrophobicContact CD1-CG2 3.77Å; Y3041-T3299 HydrophobicContact CG-CG2 3.86Å; Y3041-A3303 HydrophobicContact CE1-CB 3.91Å; Y3041-A3303 HydrophobicContact CE2-CB 3.84Å; Y3041-A3303 VanDerWaalsContact CZ-CB 3.49Å; Y3041-A3303 WeakPolarHBondContact OH-CA 3.18Å; Y3041-Q3306 PolarHBondContact OH-OE1 2.76Å |
| 3042 | G | 82.3 | Confident | 76.6 | Confident | 53 Ų | 53 | 58.9 Ų | 58.9 | 55% | 0.546 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 18.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A3038 T3039 Y3067 | A3038-G3042 PolarHBondContact O-N 3.24Å; T3039-G3042 PolarHBondContact O-N 3.06Å; G3042-Y3067 WeakPolarHBondContact O-CD2 3.33Å |
| 3043 | L | 89 | Confident | 74.6 | Confident | 11.5 Ų | 11.5 | 56.3 Ų | 56.3 | 6% | 0.06 | 32% | 0.321 | C | S | . | . | trans | -105.7 | 160.5 | 179.3 | -58.7 | 174.1 | 0 | 0 | 0 | 111.3 | A3038 T3039 Y3041 L3065 Y3067 L3296 | A3038-L3043 CarbonylContact C-O 3.54Å; A3038-L3043 HydrophobicContact CB-CB 4.11Å; A3038-L3043 WeakPolarHBondContact CB-O 3.41Å; A3038-L3043 CarbonylContact O-C 3.38Å; A3038-L3043 WeakPolarHBondContact O-CA 3.33Å; A3038-L3043 WeakPolarHBondContact O-CB 3.38Å; A3038-L3043 PolarHBondContact O-N 2.94Å; A3038-L3043 VanDerWaalsContact O-O 3.05Å; T3039-L3043 PolarHBondContact N-O 3.32Å; Y3041-L3043 PolarHBondContact O-N 3.1Å; L3043-L3065 HydrophobicContact CB-CD2 4.16Å; L3043-L3065 HydrophobicContact CD1-CB 4.43Å; L3043-L3065 HydrophobicContact CD1-CD1 4.18Å; L3043-L3065 HydrophobicContact CD1-CD2 4.17Å; L3043-L3065 HydrophobicContact CD1-CG 4.49Å; L3043-Y3067 HydrophobicContact CD2-CD2 4.19Å; L3043-Y3067 HydrophobicContact CD2-CG 4.42Å; L3043-L3296 HydrophobicContact CD1-CD1 4.34Å | ||
| 3044 | K | 85.9 | Confident | 72.3 | Confident | 78 Ų | 78 | 65.1 Ų | 65.1 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.1 | 177.9 | -175.1 | -174.7 | -175.5 | -173.3 | 0 | 110.5 | V2977 S2978 V3046 L3065 A3066 E3068 | V2977-K3044 PolarHBondContact O-NZ 3.09Å; S2978-K3044 VanDerWaalsContact C-NZ 3.33Å; S2978-K3044 PolarHBondContact O-NZ 3.08Å; K3044-V3046 HydrophobicContact CD-CG2 4.1Å; K3044-V3046 HydrophobicContact CG-CG2 4.09Å; K3044-V3046 PolarHBondContact O-N 3.02Å; K3044-L3065 CarbonylContact O-C 3.55Å; K3044-L3065 WeakPolarHBondContact O-CA 3.33Å; K3044-A3066 HydrophobicContact CB-CB 4.44Å; K3044-A3066 PolarHBondContact N-O 2.89Å; K3044-A3066 PolarHBondContact O-N 3.34Å; K3044-E3068 IonicContact NZ-OE1 3.08Å; K3044-E3068 PolarHBondContact NZ-OE1 2.74Å; K3044-E3068 IonicContact NZ-OE2 3.48Å |
| 3045 | A | 83.4 | Confident | 70.1 | Confident | 24 Ų | 24 | 68.8 Ų | 68.8 | 20% | 0.198 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 101.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L3035 A3038 V3064 | L3035-A3045 HydrophobicContact CD2-CB 4.34Å; L3035-A3045 WeakPolarHBondContact O-CB 3.34Å; A3038-A3045 HydrophobicContact CB-CB 4.12Å; A3045-V3064 CarbonylContact C-O 3.5Å; A3045-V3064 WeakPolarHBondContact CA-O 3.35Å |
| 3046 | V | 78.3 | Confident | 67.9 | Low | 18.5 Ų | 18.5 | 71.5 Ų | 71.5 | 11% | 0.112 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136.8 | -178.6 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | V2977 K3044 R3063 V3064 A3066 | V2977-V3046 HydrophobicContact CG1-CG2 4.46Å; K3044-V3046 HydrophobicContact CD-CG2 4.1Å; K3044-V3046 HydrophobicContact CG-CG2 4.09Å; K3044-V3046 PolarHBondContact O-N 3.02Å; V3046-R3063 CarbonylContact O-C 3.53Å; V3046-R3063 VanDerWaalsContact O-CA 3.28Å; V3046-R3063 WeakPolarHBondContact O-CA 3.38Å; V3046-V3064 PolarHBondContact N-O 3.05Å; V3046-V3064 PolarHBondContact O-N 3.23Å; V3046-A3066 HydrophobicContact CG2-CB 3.69Å |
| 3047 | K | 72.2 | Confident | 65.7 | Low | 125 Ų | 125 | 72 Ų | 72 | 54% | 0.543 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 126.3 | 177.7 | -71.4 | -175.6 | 176.9 | -173.3 | 0 | 110.2 | D3058 D3062 R3063 | K3047-D3058 IonicContact NZ-OD1 2.76Å; K3047-D3062 CarbonylContact C-O 3.6Å; K3047-D3062 WeakPolarHBondContact CA-O 3.49Å; K3047-R3063 HydrophobicContact CG-CG 4.21Å |
| 3048 | I | 67.2 | Low | 63.7 | Low | 13.5 Ų | 13.5 | 75.4 Ų | 75.4 | 7% | 0.069 | 45% | 0.448 | C | S | . | . | trans | -80.8 | -45.6 | 173.7 | -53.6 | 169.2 | 0 | 0 | 0 | 110.3 | L2991 D3062 V3064 L3098 | L2991-I3048 HydrophobicContact CB-CG2 3.91Å; I3048-D3062 WeakPolarHBondContact CB-O 3.42Å; I3048-D3062 HydrophobicContact CD1-CB 4.35Å; I3048-D3062 PolarHBondContact N-O 3.14Å; I3048-V3064 HydrophobicContact CD1-CB 4.1Å; I3048-V3064 HydrophobicContact CD1-CG2 3.14Å; I3048-V3064 HydrophobicContact CG1-CB 4.1Å; I3048-V3064 HydrophobicContact CG1-CG2 3.3Å; I3048-V3064 VanDerWaalsContact CG1-CG2 3.42Å; I3048-L3098 HydrophobicContact CD1-CD2 4.3Å | ||
| 3049 | H | 60.2 | Low | 61.9 | Low | 50.5 Ų | 50.5 | 83.9 Ų | 83.9 | 23% | 0.234 | 49% | 0.486 | C | S | . | . | trans | -121.4 | 137.6 | -171.8 | -76 | -76.4 | 0 | 0 | 0 | 111.6 | G2988 N2990 D3062 | G2988-H3049 PolarHBondContact O-ND1 3.1Å; N2990-H3049 WeakPolarHBondContact CB-CE1 3.4Å; N2990-H3049 PolarHBondContact ND2-CE1 3.08Å; N2990-H3049 PolarHBondContact ND2-NE2 2.98Å; N2990-H3049 VanDerWaalsContact ND2-NE2 3.11Å; N2990-H3049 PolarHBondContact OD1-NE2 3.24Å; H3049-D3062 HydrophobicContact CB-CB 4.02Å; H3049-D3062 WeakPolarHBondContact CB-OD2 3.3Å; H3049-D3062 VanDerWaalsContact CD2-CG 3.46Å; H3049-D3062 IonicContact CD2-OD1 3.13Å; H3049-D3062 PolarHBondContact CD2-OD1 3Å; H3049-D3062 IonicContact CD2-OD2 3.62Å; H3049-D3062 IonicContact CG-OD2 3.52Å | ||
| 3050 | S | 50.6 | Low | 60 | Low | 47.5 Ų | 47.5 | 81.1 Ų | 81.1 | 33% | 0.332 | 47% | 0.472 | S | S | . | . | trans | -105.6 | 85.2 | 158.2 | 106.1 | 0 | 0 | 0 | 0 | 108.7 | P2987 G2988 V3052 | P2987-S3050 VanDerWaalsContact C-CB 3.48Å; P2987-S3050 WeakPolarHBondContact CA-OG 3.38Å; P2987-S3050 WeakPolarHBondContact CB-OG 3.28Å; P2987-S3050 PolarHBondContact O-OG 3.02Å; G2988-S3050 WeakPolarHBondContact CA-O 3.42Å; G2988-S3050 WeakPolarHBondContact CA-OG 3.43Å; G2988-S3050 PolarHBondContact N-O 3.03Å; G2988-S3050 PolarHBondContact N-OG 3.12Å; S3050-V3052 PolarHBondContact O-N 2.92Å; S3050-V3052 VanDerWaalsContact O-N 3.09Å | ||
| 3051 | S | 46.8 | Very low | 58.5 | Low | 78 Ų | 78 | 78.2 Ų | 78.2 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | trans | -69 | 105.2 | 168.3 | 48.5 | 0 | 0 | 0 | 0 | 108.7 | S3053 | S3051-S3053 PolarHBondContact O-N 2.74Š| ||
| 3052 | V | 41 | Very low | 57.6 | Low | 128.5 Ų | 128.5 | 79.8 Ų | 79.8 | 78% | 0.779 | 48% | 0.476 | S | S | * | . | trans | -77.3 | 66 | 167.6 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | S3050 | S3050-V3052 PolarHBondContact O-N 2.92Å; S3050-V3052 VanDerWaalsContact O-N 3.09Å | ||
| 3053 | S | 41 | Very low | 57.3 | Low | 66 Ų | 66 | 81.6 Ų | 81.6 | 46% | 0.462 | 47% | 0.467 | S | S | . | . | trans | -110.2 | 99.6 | 167.4 | 57.2 | 0 | 0 | 0 | 0 | 108.5 | S3051 G3055 S3056 | S3051-S3053 PolarHBondContact O-N 2.74Å; S3053-G3055 PolarHBondContact O-N 3.06Å; S3053-S3056 PolarHBondContact OG-OG 2.87Å | ||
| 3054 | K | 38.6 | Very low | 57.1 | Low | 214 Ų | 214 | 81.2 Ų | 81.2 | 93% | 0.93 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 103 | 172.4 | -70.2 | -178.3 | 176.7 | 179.2 | 0 | 109 | ||
| 3055 | G | 41.3 | Very low | 57.1 | Low | 80.5 Ų | 80.5 | 77.5 Ų | 77.5 | 83% | 0.83 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 141.2 | -11.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | S3053 | S3053-G3055 PolarHBondContact O-N 3.06Š|
| 3056 | S | 39.6 | Very low | 57.4 | Low | 72.5 Ų | 72.5 | 76.4 Ų | 76.4 | 51% | 0.507 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -105.3 | 118.1 | 174.6 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | S3053 D3058 | S3053-S3056 PolarHBondContact OG-OG 2.87Å; S3056-D3058 PolarHBondContact O-N 2.81Å |
| 3057 | T | 39.4 | Very low | 57.9 | Low | 125 Ų | 125 | 79.5 Ų | 79.5 | 77% | 0.767 | 45% | 0.45 | S | S | * | . | trans | -59.4 | 84.6 | 176.4 | 43.2 | 0 | 0 | 0 | 0 | 112.9 | E3059 | T3057-E3059 PolarHBondContact O-N 2.79Å; T3057-E3059 VanDerWaalsContact O-N 3.1Å | ||
| 3058 | D | 43.6 | Very low | 58.7 | Low | 132 Ų | 132 | 77.1 Ų | 77.1 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -68 | 29.3 | 179.3 | -98.4 | -26.2 | 0 | 0 | 0 | 113.6 | K3047 S3056 S3060 | K3047-D3058 IonicContact NZ-OD1 2.76Å; S3056-D3058 PolarHBondContact O-N 2.81Å; D3058-S3060 PolarHBondContact O-N 2.87Å |
| 3059 | E | 45.9 | Very low | 59.7 | Low | 181.5 Ų | 181.5 | 78 Ų | 78 | 85% | 0.848 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10 | -177.7 | -68.2 | -165.1 | 146.4 | 0 | 0 | 114.4 | T3057 | T3057-E3059 PolarHBondContact O-N 2.79Å; T3057-E3059 VanDerWaalsContact O-N 3.1Å |
| 3060 | S | 46.2 | Very low | 60.9 | Low | 63 Ų | 63 | 79.2 Ų | 79.2 | 44% | 0.441 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -1.8 | -173.3 | 71.5 | 0 | 0 | 0 | 0 | 115.7 | R3032 D3058 D3062 | R3032-S3060 PolarHBondContact NE-OG 3.33Å; D3058-S3060 PolarHBondContact O-N 2.87Å; S3060-D3062 PolarHBondContact O-N 3.19Å |
| 3061 | A | 50.4 | Low | 62.5 | Low | 50.5 Ų | 50.5 | 77.6 Ų | 77.6 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -76.3 | 53.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R3063 | A3061-R3063 PolarHBondContact O-N 2.84Š|
| 3062 | D | 65.8 | Low | 64.1 | Low | 63 Ų | 63 | 77.7 Ų | 77.7 | 34% | 0.337 | 45% | 0.448 | S | S | . | . | trans | -88.6 | 73.3 | -173.6 | -110.6 | -6.4 | 0 | 0 | 0 | 111.6 | K3047 I3048 H3049 S3060 | K3047-D3062 CarbonylContact C-O 3.6Å; K3047-D3062 WeakPolarHBondContact CA-O 3.49Å; I3048-D3062 WeakPolarHBondContact CB-O 3.42Å; I3048-D3062 HydrophobicContact CD1-CB 4.35Å; I3048-D3062 PolarHBondContact N-O 3.14Å; H3049-D3062 HydrophobicContact CB-CB 4.02Å; H3049-D3062 WeakPolarHBondContact CB-OD2 3.3Å; H3049-D3062 VanDerWaalsContact CD2-CG 3.46Å; H3049-D3062 IonicContact CD2-OD1 3.13Å; H3049-D3062 PolarHBondContact CD2-OD1 3Å; H3049-D3062 IonicContact CD2-OD2 3.62Å; H3049-D3062 IonicContact CG-OD2 3.52Å; S3060-D3062 PolarHBondContact O-N 3.19Å | ||
| 3063 | R | 76.8 | Confident | 65.6 | Low | 90 Ų | 90 | 72.2 Ų | 72.2 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.6 | -178.5 | -62 | 174.7 | 95.3 | 169 | 3.4 | 110.9 | L3035 V3046 K3047 A3061 | L3035-R3063 HydrophobicContact CD1-CB 4.23Å; L3035-R3063 HydrophobicContact CD2-CB 3.79Å; L3035-R3063 WeakPolarHBondContact CD2-O 3.34Å; V3046-R3063 CarbonylContact O-C 3.53Å; V3046-R3063 VanDerWaalsContact O-CA 3.28Å; V3046-R3063 WeakPolarHBondContact O-CA 3.38Å; K3047-R3063 HydrophobicContact CG-CG 4.21Å; A3061-R3063 PolarHBondContact O-N 2.84Å |
| 3064 | V | 84.3 | Confident | 66.9 | Low | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.018 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 146.8 | 178 | 169.5 | 0 | 0 | 0 | 0 | 110 | A3045 V3046 I3048 L3096 V3097 L3098 | A3045-V3064 CarbonylContact C-O 3.5Å; A3045-V3064 WeakPolarHBondContact CA-O 3.35Å; V3046-V3064 PolarHBondContact N-O 3.05Å; V3046-V3064 PolarHBondContact O-N 3.23Å; I3048-V3064 HydrophobicContact CD1-CB 4.1Å; I3048-V3064 HydrophobicContact CD1-CG2 3.14Å; I3048-V3064 HydrophobicContact CG1-CB 4.1Å; I3048-V3064 HydrophobicContact CG1-CG2 3.3Å; I3048-V3064 VanDerWaalsContact CG1-CG2 3.42Å; V3064-L3096 HydrophobicContact CG1-CB 4.27Å; V3064-L3096 HydrophobicContact CG1-CD2 4.2Å; V3064-V3097 WeakPolarHBondContact CG1-O 3.34Å; V3064-L3098 HydrophobicContact CB-CG 4.43Å; V3064-L3098 HydrophobicContact CG1-CD1 3.98Å; V3064-L3098 HydrophobicContact CG1-CG 3.9Å; V3064-L3098 HydrophobicContact CG2-CB 4.36Å; V3064-L3098 HydrophobicContact CG2-CD1 4.35Å; V3064-L3098 HydrophobicContact CG2-CD2 3.73Å; V3064-L3098 HydrophobicContact CG2-CG 3.56Å; V3064-L3098 VanDerWaalsContact CG2-CG 3.46Å |
| 3065 | L | 87.2 | Confident | 68.1 | Low | 1.5 Ų | 1.5 | 68.2 Ų | 68.2 | 1% | 0.008 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.3 | 171.1 | -65.5 | 166.4 | 0 | 0 | 0 | 108.7 | Y3031 L3034 L3035 A3038 L3043 K3044 V3097 | Y3031-L3065 HydrophobicContact CE2-CD1 4.07Å; L3034-L3065 HydrophobicContact CB-CD1 3.81Å; L3034-L3065 HydrophobicContact CD1-CD1 4.43Å; L3035-L3065 HydrophobicContact CD2-CD2 3.92Å; L3035-L3065 HydrophobicContact CD2-CG 3.83Å; L3035-L3065 HydrophobicContact CG-CG 4.49Å; A3038-L3065 HydrophobicContact CB-CD2 3.71Å; L3043-L3065 HydrophobicContact CB-CD2 4.16Å; L3043-L3065 HydrophobicContact CD1-CB 4.43Å; L3043-L3065 HydrophobicContact CD1-CD1 4.18Å; L3043-L3065 HydrophobicContact CD1-CD2 4.17Å; L3043-L3065 HydrophobicContact CD1-CG 4.49Å; K3044-L3065 CarbonylContact O-C 3.55Å; K3044-L3065 WeakPolarHBondContact O-CA 3.33Å; L3065-V3097 HydrophobicContact CB-CB 4.02Å; L3065-V3097 HydrophobicContact CB-CG1 4.27Å; L3065-V3097 HydrophobicContact CD1-CG1 4.33Å; L3065-V3097 PolarHBondContact N-O 2.99Å; L3065-V3097 WeakPolarHBondContact O-CB 3.42Å; L3065-V3097 PolarHBondContact O-N 2.91Å |
| 3066 | A | 88.9 | Confident | 68.8 | Low | 0.5 Ų | 0.5 | 69 Ų | 69 | 0% | 0.004 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 144 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V2977 K3044 V3046 H3095 L3096 | V2977-A3066 HydrophobicContact CG1-CB 3.62Å; K3044-A3066 HydrophobicContact CB-CB 4.44Å; K3044-A3066 PolarHBondContact N-O 2.89Å; K3044-A3066 PolarHBondContact O-N 3.34Å; V3046-A3066 HydrophobicContact CG2-CB 3.69Å; A3066-H3095 CarbonylContact C-O 3.57Å; A3066-H3095 VanDerWaalsContact CA-O 3.29Å; A3066-H3095 WeakPolarHBondContact CA-O 3.28Å; A3066-L3096 HydrophobicContact CB-CD2 3.85Å |
| 3067 | Y | 89.5 | Confident | 69.2 | Low | 84 Ų | 84 | 69.8 Ų | 69.8 | 33% | 0.329 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.3 | 169.6 | 177.4 | -99.3 | 0 | 0 | 0 | 108.6 | G3042 L3043 S3069 H3094 H3095 F3292 | G3042-Y3067 WeakPolarHBondContact O-CD2 3.33Å; L3043-Y3067 HydrophobicContact CD2-CD2 4.19Å; L3043-Y3067 HydrophobicContact CD2-CG 4.42Å; Y3067-S3069 WeakPolarHBondContact CE1-OG 3.49Å; Y3067-H3094 WeakPolarHBondContact O-CA 3.29Å; Y3067-H3095 AromaticContact CD1-CD2 3.72Å; Y3067-H3095 PolarHBondContact N-O 2.8Å; Y3067-H3095 PolarHBondContact O-N 3.02Å; Y3067-F3292 VanDerWaalsContact CB-CE2 3.5Å; Y3067-F3292 AromaticContact CD1-CD2 3.38Å; Y3067-F3292 HydrophobicContact CD1-CD2 3.38Å; Y3067-F3292 AromaticContact CD1-CE2 3.29Å; Y3067-F3292 HydrophobicContact CD1-CE2 3.29Å; Y3067-F3292 HydrophobicContact CD1-CG 4.4Å; Y3067-F3292 HydrophobicContact CD1-CZ 4.24Å; Y3067-F3292 HydrophobicContact CD2-CE2 4.31Å; Y3067-F3292 AromaticContact CE1-CD2 3.81Å; Y3067-F3292 HydrophobicContact CE1-CD2 3.81Å; Y3067-F3292 HydrophobicContact CE1-CE2 4.08Å; Y3067-F3292 HydrophobicContact CG-CD2 4.04Å; Y3067-F3292 AromaticContact CG-CE2 3.44Å; Y3067-F3292 HydrophobicContact CG-CE2 3.44Å; Y3067-F3292 VanDerWaalsContact CG-CE2 3.44Å; Y3067-F3292 HydrophobicContact CG-CZ 4.23Å |
| 3068 | E | 88.1 | Confident | 69.5 | Low | 74 Ų | 74 | 71 Ų | 71 | 35% | 0.346 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130 | -177.4 | -58.4 | 180 | 169.2 | 0 | 0 | 108.1 | S2978 K3044 A3093 H3094 | S2978-E3068 WeakPolarHBondContact CA-OE1 3.4Å; S2978-E3068 WeakPolarHBondContact CB-OE1 3.29Å; S2978-E3068 PolarHBondContact N-OE1 2.88Å; S2978-E3068 PolarHBondContact OG-OE1 3.11Å; K3044-E3068 IonicContact NZ-OE1 3.08Å; K3044-E3068 PolarHBondContact NZ-OE1 2.74Å; K3044-E3068 IonicContact NZ-OE2 3.48Å; E3068-A3093 WeakPolarHBondContact CA-O 3.29Å; E3068-H3094 IonicContact OE1-CE1 3.93Å; E3068-H3094 IonicContact OE1-ND1 3.11Å; E3068-H3094 PolarHBondContact OE1-ND1 2.97Å; E3068-H3094 VanDerWaalsContact OE1-ND1 3.11Å |
| 3069 | S | 87.7 | Confident | 69.3 | Low | 32.5 Ų | 32.5 | 73.9 Ų | 73.9 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 160.6 | 176.8 | 62.9 | 0 | 0 | 0 | 0 | 110.6 | Y3067 A3093 | Y3067-S3069 WeakPolarHBondContact CE1-OG 3.49Å; S3069-A3093 PolarHBondContact N-O 3Å; S3069-A3093 PolarHBondContact O-N 3.34Å |
| 3070 | T | 85.4 | Confident | 68.9 | Low | 76.5 Ų | 76.5 | 73.4 Ų | 73.4 | 47% | 0.469 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.8 | 173.5 | -52.5 | 0 | 0 | 0 | 0 | 109.1 | E3090 Y3091 D3092 K3130 | T3070-E3090 HydrophobicContact CG2-CB 4.43Å; T3070-Y3091 CarbonylContact C-O 3.55Å; T3070-Y3091 WeakPolarHBondContact CA-O 3.38Å; T3070-D3092 PolarHBondContact OG1-OD1 3.22Å; T3070-K3130 VanDerWaalsContact CG2-NZ 3.26Å; T3070-K3130 PolarHBondContact OG1-NZ 2.94Å |
| 3071 | V | 85 | Confident | 68.3 | Low | 13 Ų | 13 | 79 Ų | 79 | 8% | 0.079 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117.7 | -178.4 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | V3073 Y3091 A3093 F3127 L3285 E3288 | V3071-V3073 HydrophobicContact CG1-CG2 3.71Å; V3071-Y3091 PolarHBondContact N-O 3.45Å; V3071-Y3091 PolarHBondContact O-N 3.31Å; V3071-A3093 HydrophobicContact CG2-CB 3.76Å; V3071-F3127 HydrophobicContact CG2-CE1 4.28Å; V3071-L3285 HydrophobicContact CG1-CD2 4.48Å; V3071-E3288 HydrophobicContact CG1-CG 3.79Å |
| 3072 | S | 80.2 | Confident | 67.5 | Low | 80 Ų | 80 | 82.2 Ų | 82.2 | 56% | 0.559 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 111.8 | 174.6 | -2.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 3073 | V | 73.6 | Confident | 66 | Low | 13.5 Ų | 13.5 | 89.2 Ų | 89.2 | 8% | 0.082 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.4 | -179.4 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | V3071 S3089 Y3091 L3284 L3285 | V3071-V3073 HydrophobicContact CG1-CG2 3.71Å; V3073-S3089 PolarHBondContact N-O 3.36Å; V3073-S3089 PolarHBondContact O-N 3.35Å; V3073-S3089 VanDerWaalsContact O-N 3.15Å; V3073-Y3091 HydrophobicContact CG2-CD2 4.33Å; V3073-L3284 HydrophobicContact CG1-CB 4.21Å; V3073-L3284 HydrophobicContact CG1-CD1 3.67Å; V3073-L3285 HydrophobicContact CG2-CD2 3.91Å |
| 3074 | Q | 67.7 | Low | 64.3 | Low | 128 Ų | 128 | 88.8 Ų | 88.8 | 60% | 0.598 | 49% | 0.488 | S | S | * | . | trans | -107.5 | 117.3 | 169.9 | -69.5 | 176.4 | 34.5 | 0 | 0 | 108.3 | K3088 | Q3074-K3088 HydrophobicContact CG-CG 4.04Å; Q3074-K3088 VanDerWaalsContact NE2-CE 3.29Å | ||
| 3075 | L | 64.5 | Low | 62.2 | Low | 68 Ų | 68 | 95.5 Ų | 95.5 | 36% | 0.356 | 52% | 0.523 | S | S | . | . | trans | -67.2 | 138.3 | 170 | -78.9 | 123.4 | 0 | 0 | 0 | 109.2 | A3077 M3281 | L3075-A3077 PolarHBondContact O-N 3.32Å; L3075-A3077 VanDerWaalsContact O-N 3.11Å; L3075-M3281 HydrophobicContact CD1-CE 3.62Å; L3075-M3281 HydrophobicContact CD2-CE 4.5Å; L3075-M3281 HydrophobicContact CG-CE 4.41Å | ||
| 3076 | P | 54.6 | Low | 60.2 | Low | 98 Ų | 98 | 100.8 Ų | 100.8 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | trans | -58.6 | 117.6 | 169.4 | -14.4 | 25.8 | 0 | 0 | 0 | 108.7 | N3078 | P3076-N3078 PolarHBondContact O-N 3.09Š| ||
| 3077 | A | 49.2 | Very low | 58.6 | Low | 88.5 Ų | 88.5 | 110.2 Ų | 110.2 | 73% | 0.731 | 60% | 0.596 | S | S | * | * | trans | -68.8 | 113 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108 | L3075 Q3079 | L3075-A3077 PolarHBondContact O-N 3.32Å; L3075-A3077 VanDerWaalsContact O-N 3.11Å; A3077-Q3079 PolarHBondContact O-N 3.18Å | ||
| 3078 | N | 45.8 | Very low | 57.2 | Low | 149 Ų | 149 | 111.8 Ų | 111.8 | 80% | 0.797 | 60% | 0.604 | S | S | * | * | trans | -57 | 120.1 | 166.2 | -80.3 | -12.3 | 0 | 0 | 0 | 107.4 | P3076 E3080 | P3076-N3078 PolarHBondContact O-N 3.09Å; N3078-E3080 PolarHBondContact O-N 2.98Å | ||
| 3079 | Q | 38.1 | Very low | 56.4 | Low | 193.5 Ų | 193.5 | 108.8 Ų | 108.8 | 90% | 0.904 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -69.5 | 48.6 | -169.7 | -86.8 | 179.2 | 0.1 | 0 | 0 | 112.8 | A3077 | A3077-Q3079 PolarHBondContact O-N 3.18Š|
| 3080 | E | 38 | Very low | 56 | Low | 170.5 Ų | 170.5 | 110.2 Ų | 110.2 | 80% | 0.797 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -152.8 | 116.6 | 163.3 | -84.8 | 175.7 | -171.4 | 0 | 0 | 108.9 | N3078 | N3078-E3080 PolarHBondContact O-N 2.98Š|
| 3081 | Q | 33.9 | Very low | 56.1 | Low | 182 Ų | 182 | 106.8 Ų | 106.8 | 85% | 0.85 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 92.3 | 121.2 | 169 | -60 | 168 | -3.2 | 0 | 0 | 118.7 | ||
| 3082 | C | 33.6 | Very low | 56.2 | Low | 118 Ų | 118 | 108.4 Ų | 108.4 | 80% | 0.797 | 58% | 0.581 | S | S | * | * | trans | 85.3 | 98.6 | 158.4 | -63.3 | 0 | 0 | 0 | 0 | 118.7 | A3084 | C3082-A3084 PolarHBondContact O-N 3.1Š| ||
| 3083 | Q | 35 | Very low | 56.6 | Low | 210 Ų | 210 | 104.5 Ų | 104.5 | 98% | 0.981 | 56% | 0.555 | S | S | * | * | trans | -60.3 | 76 | 157.2 | -70.3 | 175.3 | -18 | 0 | 0 | 111.6 | ||||
| 3084 | A | 39.1 | Very low | 57.4 | Low | 81.5 Ų | 81.5 | 104.5 Ų | 104.5 | 67% | 0.674 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -135.2 | 106.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | C3082 | C3082-A3084 PolarHBondContact O-N 3.1Š|
| 3085 | D | 41.7 | Very low | 58.6 | Low | 142.5 Ų | 142.5 | 98.6 Ų | 98.6 | 76% | 0.762 | 53% | 0.526 | S | S | * | . | trans | 24.8 | 103.7 | 173.5 | -69.1 | -23.4 | 0 | 0 | 0 | 116.1 | R3087 | D3085-R3087 HydrophobicContact CB-CG 4.32Å; D3085-R3087 WeakPolarHBondContact O-CG 3.44Å; D3085-R3087 PolarHBondContact O-N 2.8Å | ||
| 3086 | S | 45.7 | Very low | 59.8 | Low | 113 Ų | 113 | 95.4 Ų | 95.4 | 79% | 0.79 | 51% | 0.509 | S | S | * | . | trans | -51.9 | 91.1 | 165.7 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | K3088 | S3086-K3088 VanDerWaalsContact C-N 3.31Å; S3086-K3088 PolarHBondContact O-N 3.03Å | ||
| 3087 | R | 54.1 | Low | 61.5 | Low | 199 Ų | 199 | 90.8 Ų | 90.8 | 75% | 0.751 | 48% | 0.479 | S | S | * | . | trans | -71.6 | 92.8 | -175.9 | -74.8 | -178.5 | 179.8 | 170.9 | 1.1 | 108.7 | D3085 S3089 | D3085-R3087 HydrophobicContact CB-CG 4.32Å; D3085-R3087 WeakPolarHBondContact O-CG 3.44Å; D3085-R3087 PolarHBondContact O-N 2.8Å; R3087-S3089 PolarHBondContact O-N 3.17Å | ||
| 3088 | K | 60.8 | Low | 63.3 | Low | 116.5 Ų | 116.5 | 86.8 Ų | 86.8 | 51% | 0.507 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -58 | 121.2 | 165 | -70.9 | -178.2 | 179.7 | -177.4 | 0 | 107.9 | Q3074 S3086 | Q3074-K3088 HydrophobicContact CG-CG 4.04Å; Q3074-K3088 VanDerWaalsContact NE2-CE 3.29Å; S3086-K3088 VanDerWaalsContact C-N 3.31Å; S3086-K3088 PolarHBondContact O-N 3.03Å |
| 3089 | S | 69.7 | Low | 65 | Low | 11 Ų | 11 | 83.2 Ų | 83.2 | 8% | 0.077 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.1 | 174.7 | -60.5 | 0 | 0 | 0 | 0 | 107.9 | V3073 R3087 R3135 | V3073-S3089 PolarHBondContact N-O 3.36Å; V3073-S3089 PolarHBondContact O-N 3.35Å; V3073-S3089 VanDerWaalsContact O-N 3.15Å; R3087-S3089 PolarHBondContact O-N 3.17Å; S3089-R3135 PolarHBondContact OG-NH2 2.94Å |
| 3090 | E | 81.3 | Confident | 66.9 | Low | 62.5 Ų | 62.5 | 76.7 Ų | 76.7 | 29% | 0.292 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 128.5 | 176.8 | -67 | 179.8 | 178.8 | 0 | 0 | 109.3 | T3070 K3130 Y3131 | T3070-E3090 HydrophobicContact CG2-CB 4.43Å; E3090-K3130 HydrophobicContact CB-CD 4.1Å; E3090-K3130 HydrophobicContact CB-CG 4.46Å; E3090-K3130 PolarHBondContact O-N 3.15Å; E3090-K3130 VanDerWaalsContact O-N 3.15Å; E3090-K3130 IonicContact OE2-NZ 3.61Å; E3090-Y3131 HydrophobicContact CB-CE2 3.9Å; E3090-Y3131 HydrophobicContact CG-CE2 4.1Å; E3090-Y3131 PolarHBondContact OE2-OH 2.88Å |
| 3091 | Y | 85.8 | Confident | 68.2 | Low | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.2 | 178.7 | -69.4 | -90.3 | 0 | 0 | 0 | 110.1 | Y3012 T3070 V3071 V3073 F3127 I3128 D3129 M3281 L3285 | Y3012-Y3091 HydrophobicContact CD2-CE1 4.27Å; Y3012-Y3091 HydrophobicContact CE2-CE1 4.19Å; T3070-Y3091 CarbonylContact C-O 3.55Å; T3070-Y3091 WeakPolarHBondContact CA-O 3.38Å; V3071-Y3091 PolarHBondContact N-O 3.45Å; V3071-Y3091 PolarHBondContact O-N 3.31Å; V3073-Y3091 HydrophobicContact CG2-CD2 4.33Å; Y3091-F3127 HydrophobicContact CD1-CB 4.18Å; Y3091-I3128 CarbonylContact C-O 3.57Å; Y3091-I3128 VanDerWaalsContact CA-O 3.26Å; Y3091-I3128 WeakPolarHBondContact CA-O 3.41Å; Y3091-D3129 HydrophobicContact CD1-CB 4.22Å; Y3091-D3129 HydrophobicContact CE1-CB 3.78Å; Y3091-M3281 PolarHBondContact OH-SD 3.02Å; Y3091-L3285 HydrophobicContact CD1-CD1 4.45Å; Y3091-L3285 HydrophobicContact CD2-CD2 4.16Å; Y3091-L3285 HydrophobicContact CE1-CD1 4.4Å; Y3091-L3285 HydrophobicContact CG-CD2 4.24Å |
| 3092 | D | 87.9 | Confident | 68.9 | Low | 46.5 Ų | 46.5 | 66.3 Ų | 66.3 | 25% | 0.249 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 116.4 | 163.3 | -72.4 | -38.5 | 0 | 0 | 0 | 108.9 | T3070 F3127 I3128 K3130 | T3070-D3092 PolarHBondContact OG1-OD1 3.22Å; D3092-F3127 CarbonylContact O-C 3.56Å; D3092-F3127 WeakPolarHBondContact O-CA 3.15Å; D3092-I3128 PolarHBondContact N-O 3.22Å; D3092-I3128 PolarHBondContact O-N 3.11Å; D3092-K3130 WeakPolarHBondContact OD1-CE 3.41Å; D3092-K3130 IonicContact OD1-NZ 3.59Å; D3092-K3130 PolarHBondContact OD1-NZ 3.04Å; D3092-K3130 WeakPolarHBondContact OD2-CE 3.43Å; D3092-K3130 WeakPolarHBondContact OD2-CG 3.45Å |
| 3093 | A | 89.5 | Confident | 69.2 | Low | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | E3068 S3069 V3071 I3126 F3127 | E3068-A3093 WeakPolarHBondContact CA-O 3.29Å; S3069-A3093 PolarHBondContact N-O 3Å; S3069-A3093 PolarHBondContact O-N 3.34Å; V3071-A3093 HydrophobicContact CG2-CB 3.76Å; A3093-I3126 CarbonylContact C-O 3.53Å; A3093-I3126 WeakPolarHBondContact CA-O 3.43Å; A3093-F3127 HydrophobicContact CB-CD1 3.53Å; A3093-F3127 HydrophobicContact CB-CE1 3.49Å; A3093-F3127 VanDerWaalsContact CB-CE1 3.49Å; A3093-F3127 HydrophobicContact CB-CZ 4.49Å |
| 3094 | H | 90.5 | Very high | 69.2 | Low | 12.5 Ų | 12.5 | 64.3 Ų | 64.3 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 115.4 | 174.4 | -55.4 | -90.4 | 0 | 0 | 0 | 109 | S2974 S2978 Y3067 E3068 I3126 | S2974-H3094 PolarHBondContact OG-CD2 3.19Å; S2974-H3094 VanDerWaalsContact OG-CD2 3.28Å; S2974-H3094 PolarHBondContact OG-CE1 3.05Å; S2974-H3094 PolarHBondContact OG-NE2 3.02Å; S2978-H3094 PolarHBondContact OG-CE1 3.18Å; S2978-H3094 VanDerWaalsContact OG-CE1 3.22Å; Y3067-H3094 WeakPolarHBondContact O-CA 3.29Å; E3068-H3094 IonicContact OE1-CE1 3.93Å; E3068-H3094 IonicContact OE1-ND1 3.11Å; E3068-H3094 PolarHBondContact OE1-ND1 2.97Å; E3068-H3094 VanDerWaalsContact OE1-ND1 3.11Å; H3094-I3126 HydrophobicContact CB-CB 4.43Å; H3094-I3126 PolarHBondContact N-O 3.22Å; H3094-I3126 PolarHBondContact O-N 2.93Å |
| 3095 | H | 91.3 | Very high | 69 | Low | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.019 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.4 | 176.7 | -56.2 | -73.5 | 0 | 0 | 0 | 110 | A3066 Y3067 Y3124 S3125 F3127 F3292 | A3066-H3095 CarbonylContact C-O 3.57Å; A3066-H3095 VanDerWaalsContact CA-O 3.29Å; A3066-H3095 WeakPolarHBondContact CA-O 3.28Å; Y3067-H3095 AromaticContact CD1-CD2 3.72Å; Y3067-H3095 PolarHBondContact N-O 2.8Å; Y3067-H3095 PolarHBondContact O-N 3.02Å; H3095-Y3124 CarbonylContact C-O 3.53Å; H3095-Y3124 WeakPolarHBondContact CA-O 3.32Å; H3095-S3125 PolarHBondContact CE1-OG 3.2Å; H3095-S3125 VanDerWaalsContact ND1-CB 3.31Å; H3095-S3125 WeakPolarHBondContact ND1-CB 3.35Å; H3095-S3125 PolarHBondContact ND1-OG 3.05Å; H3095-F3127 AromaticContact CE1-CZ 3.84Å; H3095-F3292 HydrophobicContact CB-CD1 3.74Å; H3095-F3292 HydrophobicContact CB-CE1 3.41Å; H3095-F3292 VanDerWaalsContact CB-CE1 3.41Å; H3095-F3292 HydrophobicContact CB-CE2 4.34Å; H3095-F3292 HydrophobicContact CB-CG 4.32Å; H3095-F3292 HydrophobicContact CB-CZ 3.74Å; H3095-F3292 AromaticContact CG-CD1 3.6Å; H3095-F3292 AromaticContact CG-CE1 3.84Å; H3095-F3292 AromaticContact CG-CG 3.86Å; H3095-F3292 AromaticContact ND1-CD1 3.65Å; H3095-F3292 AromaticContact ND1-CG 3.99Å |
| 3096 | L | 90 | Very high | 68.5 | Low | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.1 | 178.7 | -63.2 | 169.1 | 0 | 0 | 0 | 110.1 | V2973 V2977 L2991 L2995 V3064 A3066 L3098 I3123 Y3124 I3126 | V2973-L3096 HydrophobicContact CG1-CD1 4.02Å; V2977-L3096 HydrophobicContact CB-CD2 4.39Å; V2977-L3096 HydrophobicContact CG1-CD2 3.85Å; V2977-L3096 HydrophobicContact CG2-CD1 4.03Å; V2977-L3096 HydrophobicContact CG2-CD2 3.55Å; V2977-L3096 HydrophobicContact CG2-CG 4.28Å; L2991-L3096 HydrophobicContact CD2-CD1 4.29Å; L2995-L3096 HydrophobicContact CD1-CD1 3.92Å; V3064-L3096 HydrophobicContact CG1-CB 4.27Å; V3064-L3096 HydrophobicContact CG1-CD2 4.2Å; A3066-L3096 HydrophobicContact CB-CD2 3.85Å; L3096-L3098 HydrophobicContact CB-CD1 3.96Å; L3096-I3123 CarbonylContact O-C 3.55Å; L3096-I3123 VanDerWaalsContact O-CA 3.29Å; L3096-I3123 WeakPolarHBondContact O-CA 3.29Å; L3096-Y3124 PolarHBondContact N-O 2.78Å; L3096-Y3124 PolarHBondContact O-N 3.33Å; L3096-I3126 HydrophobicContact CD1-CD1 4.45Å |
| 3097 | V | 89.6 | Confident | 67.8 | Low | 1.5 Ų | 1.5 | 71 Ų | 71 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 101 | -172.5 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | Y3031 V3064 L3065 V3121 E3122 I3123 F3292 L3296 | Y3031-V3097 PolarHBondContact OH-O 3.4Å; V3064-V3097 WeakPolarHBondContact CG1-O 3.34Å; L3065-V3097 HydrophobicContact CB-CB 4.02Å; L3065-V3097 HydrophobicContact CB-CG1 4.27Å; L3065-V3097 HydrophobicContact CD1-CG1 4.33Å; L3065-V3097 PolarHBondContact N-O 2.99Å; L3065-V3097 WeakPolarHBondContact O-CB 3.42Å; L3065-V3097 PolarHBondContact O-N 2.91Å; V3097-V3121 HydrophobicContact CB-CG1 4.25Å; V3097-V3121 HydrophobicContact CG1-CB 3.91Å; V3097-V3121 HydrophobicContact CG1-CG1 3.4Å; V3097-E3122 CarbonylContact C-O 3.58Å; V3097-E3122 WeakPolarHBondContact CA-O 2.97Å; V3097-I3123 HydrophobicContact CG2-CG1 4.41Å; V3097-I3123 HydrophobicContact CG2-CG2 4.47Å; V3097-F3292 HydrophobicContact CG2-CE1 3.89Å; V3097-F3292 HydrophobicContact CG2-CZ 3.97Å; V3097-L3296 HydrophobicContact CB-CD2 4.49Å; V3097-L3296 HydrophobicContact CG1-CD1 4.48Å; V3097-L3296 HydrophobicContact CG1-CD2 3.83Å; V3097-L3296 HydrophobicContact CG2-CD2 3.73Å |
| 3098 | L | 87.1 | Confident | 67 | Low | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 131.4 | -176.5 | -70 | 97.2 | 0 | 0 | 0 | 111.1 | R2992 L2995 I3048 V3064 L3096 K3100 V3121 E3122 Y3124 | R2992-L3098 HydrophobicContact CB-CD2 3.82Å; R2992-L3098 HydrophobicContact CG-CD2 3.9Å; L2995-L3098 HydrophobicContact CD1-CD1 4.32Å; I3048-L3098 HydrophobicContact CD1-CD2 4.3Å; V3064-L3098 HydrophobicContact CB-CG 4.43Å; V3064-L3098 HydrophobicContact CG1-CD1 3.98Å; V3064-L3098 HydrophobicContact CG1-CG 3.9Å; V3064-L3098 HydrophobicContact CG2-CB 4.36Å; V3064-L3098 HydrophobicContact CG2-CD1 4.35Å; V3064-L3098 HydrophobicContact CG2-CD2 3.73Å; V3064-L3098 HydrophobicContact CG2-CG 3.56Å; V3064-L3098 VanDerWaalsContact CG2-CG 3.46Å; L3096-L3098 HydrophobicContact CB-CD1 3.96Å; L3098-K3100 PolarHBondContact O-N 3.13Å; L3098-V3121 CarbonylContact O-C 3.53Å; L3098-V3121 VanDerWaalsContact O-CA 3.31Å; L3098-V3121 WeakPolarHBondContact O-CA 3.35Å; L3098-V3121 WeakPolarHBondContact O-CG1 3.48Å; L3098-E3122 PolarHBondContact N-O 3.14Å; L3098-E3122 PolarHBondContact O-N 3.46Å; L3098-Y3124 HydrophobicContact CD1-CD2 3.49Å; L3098-Y3124 HydrophobicContact CD1-CE2 3.76Å |
| 3099 | R | 82.7 | Confident | 65.9 | Low | 73.5 Ų | 73.5 | 65 Ų | 65 | 28% | 0.277 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 130.4 | 172.5 | -174.9 | -177.4 | 167.9 | -162.2 | 3.7 | 111.3 | R2992 D3028 Y3031 G3101 L3119 | R2992-R3099 PolarHBondContact NH1-O 2.96Å; R2992-R3099 PolarHBondContact NH2-O 3.15Å; D3028-R3099 IonicContact OD1-CZ 2.73Å; D3028-R3099 IonicContact OD1-NH1 3.09Å; D3028-R3099 PolarHBondContact OD1-NH1 3.26Å; D3028-R3099 IonicContact OD1-NH2 3.59Å; D3028-R3099 PolarHBondContact OD1-NH2 3.29Å; D3028-R3099 IonicContact OD2-NH2 2.82Å; D3028-R3099 PolarHBondContact OD2-NH2 2.81Å; Y3031-R3099 HydrophobicContact CD1-CB 3.99Å; Y3031-R3099 HydrophobicContact CD2-CB 4.15Å; Y3031-R3099 HydrophobicContact CE1-CB 3.81Å; Y3031-R3099 HydrophobicContact CE2-CB 3.99Å; Y3031-R3099 HydrophobicContact CG-CB 4.15Å; Y3031-R3099 PolarHBondContact OH-N 3.3Å; R3099-G3101 PolarHBondContact O-N 3.06Å; R3099-L3119 HydrophobicContact CG-CD1 4.4Å |
| 3100 | K | 76.8 | Confident | 64.4 | Low | 58 Ų | 58 | 69.5 Ų | 69.5 | 25% | 0.252 | 39% | 0.385 | S | S | . | . | trans | -73.6 | 115 | 173 | -161.5 | 163.5 | -170.4 | 166.7 | 0 | 109.6 | E3017 L3098 R3120 E3122 | E3017-K3100 VanDerWaalsContact OE1-CD 3.25Å; E3017-K3100 WeakPolarHBondContact OE1-CD 3.44Å; E3017-K3100 IonicContact OE1-NZ 3.58Å; E3017-K3100 PolarHBondContact OE1-NZ 2.91Å; E3017-K3100 IonicContact OE2-NZ 2.93Å; E3017-K3100 PolarHBondContact OE2-NZ 3.29Å; L3098-K3100 PolarHBondContact O-N 3.13Å; K3100-R3120 HydrophobicContact CB-CB 3.97Å; K3100-R3120 PolarHBondContact N-O 3.02Å; K3100-E3122 HydrophobicContact CB-CG 4.21Å; K3100-E3122 HydrophobicContact CD-CG 4.04Å; K3100-E3122 VanDerWaalsContact CD-OE1 3.3Å; K3100-E3122 WeakPolarHBondContact CD-OE1 3.37Å; K3100-E3122 VanDerWaalsContact CE-OE1 3.24Å; K3100-E3122 WeakPolarHBondContact CE-OE1 3.4Å; K3100-E3122 HydrophobicContact CG-CG 4.25Å; K3100-E3122 WeakPolarHBondContact CG-OE1 3.38Å; K3100-E3122 IonicContact NZ-OE1 3.21Å | ||
| 3101 | G | 65.1 | Low | 62.2 | Low | 38.5 Ų | 38.5 | 70.1 Ų | 70.1 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | trans | -71.8 | 144.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R3099 S3103 | R3099-G3101 PolarHBondContact O-N 3.06Å; G3101-S3103 PolarHBondContact O-N 2.83Å | ||
| 3102 | D | 49.5 | Very low | 59.9 | Low | 94.5 Ų | 94.5 | 79.5 Ų | 79.5 | 51% | 0.505 | 44% | 0.442 | S | S | . | . | trans | -62.5 | 107.5 | 169.9 | -75 | -27.3 | 0 | 0 | 0 | 108 | F3104 R3120 | D3102-F3104 PolarHBondContact O-N 3.13Å; D3102-R3120 IonicContact OD1-CZ 2.7Å; D3102-R3120 IonicContact OD1-NH2 3.25Å; D3102-R3120 PolarHBondContact OD1-NH2 3.06Å | ||
| 3103 | S | 39.3 | Very low | 57.6 | Low | 86.5 Ų | 86.5 | 83.5 Ų | 83.5 | 61% | 0.605 | 47% | 0.468 | S | S | * | . | trans | -51.9 | 129.9 | -175.2 | 129.4 | 0 | 0 | 0 | 0 | 110.6 | G3101 L3105 S3106 | G3101-S3103 PolarHBondContact O-N 2.83Å; S3103-L3105 PolarHBondContact O-N 3.02Å; S3103-S3106 PolarHBondContact O-N 3.41Å | ||
| 3104 | F | 35.4 | Very low | 55.4 | Low | 200.5 Ų | 200.5 | 87 Ų | 87 | 88% | 0.879 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 11.2 | -179.7 | -126.3 | -95.3 | 0 | 0 | 0 | 114.8 | D3102 | D3102-F3104 PolarHBondContact O-N 3.13Š|
| 3105 | L | 35.1 | Very low | 53.4 | Low | 156 Ų | 156 | 92.4 Ų | 92.4 | 82% | 0.817 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.8 | 178.1 | -65.4 | -180 | 0 | 0 | 0 | 114.3 | S3103 R3107 | S3103-L3105 PolarHBondContact O-N 3.02Å; L3105-R3107 PolarHBondContact O-N 2.94Å; L3105-R3107 VanDerWaalsContact O-N 3.11Å |
| 3106 | S | 31.5 | Very low | 51.8 | Low | 87 Ų | 87 | 102 Ų | 102 | 61% | 0.608 | 56% | 0.555 | S | S | * | * | trans | -82.8 | 48.3 | 167.1 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | S3103 S3108 | S3103-S3106 PolarHBondContact O-N 3.41Å; S3106-S3108 VanDerWaalsContact C-N 3.28Å | ||
| 3107 | R | 31.6 | Very low | 50.6 | Low | 235 Ų | 235 | 107.4 Ų | 107.4 | 89% | 0.887 | 58% | 0.584 | S | S | * | * | trans | -95 | 15 | 165.8 | -119.3 | -179.1 | 130.9 | -178 | 1.9 | 112.7 | L3105 A3109 | L3105-R3107 PolarHBondContact O-N 2.94Å; L3105-R3107 VanDerWaalsContact O-N 3.11Å; R3107-A3109 PolarHBondContact O-N 3.39Å | ||
| 3108 | S | 35.5 | Very low | 49.9 | Very low | 76.5 Ų | 76.5 | 113.2 Ų | 113.2 | 54% | 0.535 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -85.1 | 103.7 | 161.6 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | S3106 S3110 | S3106-S3108 VanDerWaalsContact C-N 3.28Å; S3108-S3110 PolarHBondContact O-N 3.33Å |
| 3109 | A | 39.6 | Very low | 49.7 | Very low | 111.5 Ų | 111.5 | 113.1 Ų | 113.1 | 92% | 0.921 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 50.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R3107 | R3107-A3109 PolarHBondContact O-N 3.39Š|
| 3110 | S | 37.3 | Very low | 49.8 | Very low | 105.5 Ų | 105.5 | 113.8 Ų | 113.8 | 74% | 0.738 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.3 | 31.5 | 169.8 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | S3108 | S3108-S3110 PolarHBondContact O-N 3.33Š|
| 3111 | A | 35.7 | Very low | 50.3 | Low | 75 Ų | 75 | 111.1 Ų | 111.1 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -121.6 | 128.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T3113 | A3111-T3113 PolarHBondContact O-N 3.47Š|
| 3112 | K | 37.9 | Very low | 51.5 | Low | 202.5 Ų | 202.5 | 110.5 Ų | 110.5 | 88% | 0.88 | 58% | 0.583 | S | S | * | * | trans | -32.8 | 131.6 | -179.3 | -67.9 | 170 | 176.2 | 178.1 | 0 | 112.9 | ||||
| 3113 | T | 37.8 | Very low | 53.4 | Low | 129 Ų | 129 | 106 Ų | 106 | 79% | 0.791 | 56% | 0.559 | S | S | * | * | trans | -23.7 | 116 | 170.2 | 34.9 | 0 | 0 | 0 | 0 | 112 | A3111 I3115 | A3111-T3113 PolarHBondContact O-N 3.47Å; T3113-I3115 PolarHBondContact O-N 2.87Å | ||
| 3114 | P | 45.2 | Very low | 55.9 | Low | 75.5 Ų | 75.5 | 102.1 Ų | 102.1 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | trans | -57.6 | 135.9 | 178.2 | 24.6 | -31.6 | 0 | 0 | 0 | 108.2 | R3116 | P3114-R3116 VanDerWaalsContact C-N 3.31Å; P3114-R3116 WeakPolarHBondContact O-CG 3.25Å; P3114-R3116 PolarHBondContact O-N 2.88Å | ||
| 3115 | I | 48.4 | Very low | 58.5 | Low | 124 Ų | 124 | 92.6 Ų | 92.6 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | trans | -61.6 | 92.4 | -176.3 | -56.1 | 161.4 | 0 | 0 | 0 | 107.3 | T3113 D3117 W3118 | T3113-I3115 PolarHBondContact O-N 2.87Å; I3115-D3117 HydrophobicContact CG2-CB 4.43Å; I3115-D3117 PolarHBondContact O-N 3.02Å; I3115-W3118 VanDerWaalsContact CG2-CD1 3.47Å; I3115-W3118 HydrophobicContact CG2-CG 4.22Å | ||
| 3116 | R | 56 | Low | 61.2 | Low | 207.5 Ų | 207.5 | 85.2 Ų | 85.2 | 78% | 0.783 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -5.2 | -175.3 | -78.3 | -178.9 | 110.1 | -169.1 | 0 | 113.5 | P3114 | P3114-R3116 VanDerWaalsContact C-N 3.31Å; P3114-R3116 WeakPolarHBondContact O-CG 3.25Å; P3114-R3116 PolarHBondContact O-N 2.88Å |
| 3117 | D | 65.3 | Low | 63.9 | Low | 114 Ų | 114 | 81 Ų | 81 | 61% | 0.61 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -0.4 | -168.9 | -57 | -22.3 | 0 | 0 | 0 | 114.3 | I3115 | I3115-D3117 HydrophobicContact CG2-CB 4.43Å; I3115-D3117 PolarHBondContact O-N 3.02Å |
| 3118 | W | 74.9 | Confident | 66.6 | Low | 123 Ų | 123 | 70.8 Ų | 70.8 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | trans | -108.4 | 124 | -173.8 | -70.7 | 43 | 0 | 0 | 0 | 111.4 | L3020 I3115 R3120 | L3020-W3118 CarbonylContact O-C 3.57Å; L3020-W3118 WeakPolarHBondContact O-CA 3.39Å; I3115-W3118 VanDerWaalsContact CG2-CD1 3.47Å; I3115-W3118 HydrophobicContact CG2-CG 4.22Å; W3118-R3120 PolarHBondContact O-N 2.8Å | ||
| 3119 | L | 83 | Confident | 68.8 | Low | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 115.3 | 167.3 | -178.8 | 61.8 | 0 | 0 | 0 | 109 | S3019 L3020 L3023 P3027 L3030 R3099 V3121 I3300 | S3019-L3119 WeakPolarHBondContact CA-O 3.41Å; L3020-L3119 PolarHBondContact N-O 2.95Å; L3020-L3119 PolarHBondContact O-N 3.18Å; L3023-L3119 HydrophobicContact CD1-CB 3.43Å; L3023-L3119 VanDerWaalsContact CD1-CB 3.43Å; L3023-L3119 HydrophobicContact CD1-CD2 4.38Å; P3027-L3119 HydrophobicContact CB-CB 4.03Å; P3027-L3119 HydrophobicContact CB-CD1 4.1Å; L3030-L3119 HydrophobicContact CD2-CD2 4.03Å; L3030-L3119 HydrophobicContact CG-CD2 4.38Å; R3099-L3119 HydrophobicContact CG-CD1 4.4Å; L3119-V3121 HydrophobicContact CD1-CG2 4.27Å; L3119-V3121 HydrophobicContact CD2-CG2 4.42Å; L3119-V3121 HydrophobicContact CG-CG2 3.98Å; L3119-I3300 HydrophobicContact CD2-CG2 3.87Å |
| 3120 | R | 85.3 | Confident | 70.5 | Confident | 88.5 Ų | 88.5 | 66.3 Ų | 66.3 | 33% | 0.334 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.9 | 176.8 | -65.6 | -173.9 | -73 | 173.7 | -3.3 | 110.7 | K3100 D3102 W3118 | K3100-R3120 HydrophobicContact CB-CB 3.97Å; K3100-R3120 PolarHBondContact N-O 3.02Å; D3102-R3120 IonicContact OD1-CZ 2.7Å; D3102-R3120 IonicContact OD1-NH2 3.25Å; D3102-R3120 PolarHBondContact OD1-NH2 3.06Å; W3118-R3120 PolarHBondContact O-N 2.8Å |
| 3121 | V | 87.6 | Confident | 71.8 | Confident | 2.5 Ų | 2.5 | 67 Ų | 67 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.9 | -176.4 | -142.8 | 0 | 0 | 0 | 0 | 110.1 | E3017 L3018 Y3031 V3097 L3098 L3119 | E3017-V3121 WeakPolarHBondContact CA-O 3.36Å; L3018-V3121 HydrophobicContact CB-CG2 4.26Å; L3018-V3121 PolarHBondContact N-O 2.82Å; L3018-V3121 WeakPolarHBondContact O-CG2 3.4Å; L3018-V3121 PolarHBondContact O-N 3.3Å; Y3031-V3121 HydrophobicContact CD2-CG1 4.3Å; Y3031-V3121 HydrophobicContact CE2-CG1 3.96Å; V3097-V3121 HydrophobicContact CB-CG1 4.25Å; V3097-V3121 HydrophobicContact CG1-CB 3.91Å; V3097-V3121 HydrophobicContact CG1-CG1 3.4Å; L3098-V3121 CarbonylContact O-C 3.53Å; L3098-V3121 VanDerWaalsContact O-CA 3.31Å; L3098-V3121 WeakPolarHBondContact O-CA 3.35Å; L3098-V3121 WeakPolarHBondContact O-CG1 3.48Å; L3119-V3121 HydrophobicContact CD1-CG2 4.27Å; L3119-V3121 HydrophobicContact CD2-CG2 4.42Å; L3119-V3121 HydrophobicContact CG-CG2 3.98Å |
| 3122 | E | 89.3 | Confident | 73 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 127.4 | 172.5 | -67.9 | 167 | 158.9 | 0 | 0 | 107.9 | R2992 E3016 V3097 L3098 K3100 Y3124 | R2992-E3122 IonicContact NH2-OE2 3.41Å; R2992-E3122 PolarHBondContact NH2-OE2 3.04Å; E3016-E3122 CarbonylContact O-C 3.6Å; E3016-E3122 WeakPolarHBondContact O-CA 3.23Å; V3097-E3122 CarbonylContact C-O 3.58Å; V3097-E3122 WeakPolarHBondContact CA-O 2.97Å; L3098-E3122 PolarHBondContact N-O 3.14Å; L3098-E3122 PolarHBondContact O-N 3.46Å; K3100-E3122 HydrophobicContact CB-CG 4.21Å; K3100-E3122 HydrophobicContact CD-CG 4.04Å; K3100-E3122 VanDerWaalsContact CD-OE1 3.3Å; K3100-E3122 WeakPolarHBondContact CD-OE1 3.37Å; K3100-E3122 VanDerWaalsContact CE-OE1 3.24Å; K3100-E3122 WeakPolarHBondContact CE-OE1 3.4Å; K3100-E3122 HydrophobicContact CG-CG 4.25Å; K3100-E3122 WeakPolarHBondContact CG-OE1 3.38Å; K3100-E3122 IonicContact NZ-OE1 3.21Å; E3122-Y3124 HydrophobicContact CB-CE2 3.88Å |
| 3123 | I | 90.2 | Very high | 73.6 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.4 | -179.3 | -52.3 | 173.5 | 0 | 0 | 0 | 107.7 | E3016 L3018 L3096 V3097 F3292 K3293 L3296 | E3016-I3123 HydrophobicContact CB-CB 4.28Å; E3016-I3123 PolarHBondContact N-O 3.38Å; E3016-I3123 PolarHBondContact O-N 2.98Å; L3018-I3123 HydrophobicContact CB-CD1 4.04Å; L3096-I3123 CarbonylContact O-C 3.55Å; L3096-I3123 VanDerWaalsContact O-CA 3.29Å; L3096-I3123 WeakPolarHBondContact O-CA 3.29Å; V3097-I3123 HydrophobicContact CG2-CG1 4.41Å; V3097-I3123 HydrophobicContact CG2-CG2 4.47Å; I3123-F3292 HydrophobicContact CG2-CD1 4.22Å; I3123-F3292 HydrophobicContact CG2-CE1 4.01Å; I3123-K3293 HydrophobicContact CD1-CB 4.18Å; I3123-K3293 HydrophobicContact CD1-CG 3.96Å; I3123-L3296 HydrophobicContact CD1-CD2 3.75Å; I3123-L3296 HydrophobicContact CG1-CD2 4.25Å |
| 3124 | Y | 90.5 | Very high | 74.1 | Confident | 4.5 Ų | 4.5 | 67.3 Ų | 67.3 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.3 | 173.7 | -60.9 | -83 | 0 | 0 | 0 | 109.3 | L2995 F3013 F3014 E3015 H3095 L3096 L3098 E3122 | L2995-Y3124 HydrophobicContact CB-CD1 4.33Å; L2995-Y3124 HydrophobicContact CB-CE1 4.18Å; L2995-Y3124 HydrophobicContact CB-CE2 4.42Å; L2995-Y3124 HydrophobicContact CB-CG 4.48Å; L2995-Y3124 HydrophobicContact CD1-CD2 3.81Å; L2995-Y3124 HydrophobicContact CD1-CE2 4.26Å; L2995-Y3124 HydrophobicContact CD1-CG 3.94Å; F3013-Y3124 HydrophobicContact CE1-CD1 4.46Å; F3013-Y3124 AromaticContact CE2-CD1 3.75Å; F3013-Y3124 HydrophobicContact CE2-CD1 3.75Å; F3013-Y3124 HydrophobicContact CE2-CG 4.32Å; F3013-Y3124 AromaticContact CZ-CD1 3.42Å; F3013-Y3124 HydrophobicContact CZ-CD1 3.42Å; F3013-Y3124 VanDerWaalsContact CZ-CD1 3.42Å; F3013-Y3124 HydrophobicContact CZ-CE1 4.03Å; F3013-Y3124 HydrophobicContact CZ-CG 4.39Å; F3014-Y3124 WeakPolarHBondContact O-CA 3.34Å; E3015-Y3124 HydrophobicContact CB-CD1 4.12Å; E3015-Y3124 HydrophobicContact CB-CE1 4.07Å; E3015-Y3124 HydrophobicContact CG-CD1 4.08Å; E3015-Y3124 HydrophobicContact CG-CE1 3.6Å; E3015-Y3124 WeakPolarHBondContact OE1-CE1 3.27Å; E3015-Y3124 PolarHBondContact OE1-OH 3.05Å; H3095-Y3124 CarbonylContact C-O 3.53Å; H3095-Y3124 WeakPolarHBondContact CA-O 3.32Å; L3096-Y3124 PolarHBondContact N-O 2.78Å; L3096-Y3124 PolarHBondContact O-N 3.33Å; L3098-Y3124 HydrophobicContact CD1-CD2 3.49Å; L3098-Y3124 HydrophobicContact CD1-CE2 3.76Å; E3122-Y3124 HydrophobicContact CB-CE2 3.88Å |
| 3125 | S | 90.8 | Very high | 74 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 117.9 | -177.5 | -59.1 | 0 | 0 | 0 | 0 | 109.7 | F3013 F3014 H3095 | F3013-S3125 CarbonylContact C-O 3.51Å; F3013-S3125 WeakPolarHBondContact CA-O 3.47Å; F3014-S3125 PolarHBondContact N-O 3.33Å; F3014-S3125 PolarHBondContact O-N 3.18Å; H3095-S3125 PolarHBondContact CE1-OG 3.2Å; H3095-S3125 VanDerWaalsContact ND1-CB 3.31Å; H3095-S3125 WeakPolarHBondContact ND1-CB 3.35Å; H3095-S3125 PolarHBondContact ND1-OG 3.05Å |
| 3126 | I | 91.3 | Very high | 73.7 | Confident | 0.5 Ų | 0.5 | 71.4 Ų | 71.4 | 0% | 0.003 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123 | 179.5 | -55.3 | 169.6 | 0 | 0 | 0 | 108.4 | L2970 V2973 S2974 T3011 Y3012 F3013 A3093 H3094 L3096 I3128 | L2970-I3126 HydrophobicContact CB-CG2 4.14Å; L2970-I3126 HydrophobicContact CD2-CD1 4.28Å; L2970-I3126 HydrophobicContact CD2-CG1 4.35Å; V2973-I3126 HydrophobicContact CB-CD1 4.17Å; V2973-I3126 HydrophobicContact CG1-CD1 3.59Å; S2974-I3126 WeakPolarHBondContact OG-CG2 3.39Å; T3011-I3126 HydrophobicContact CG2-CG2 3.65Å; Y3012-I3126 CarbonylContact O-C 3.54Å; Y3012-I3126 WeakPolarHBondContact O-CA 3.33Å; F3013-I3126 HydrophobicContact CD2-CG1 3.99Å; F3013-I3126 HydrophobicContact CE2-CG1 4.47Å; A3093-I3126 CarbonylContact C-O 3.53Å; A3093-I3126 WeakPolarHBondContact CA-O 3.43Å; H3094-I3126 HydrophobicContact CB-CB 4.43Å; H3094-I3126 PolarHBondContact N-O 3.22Å; H3094-I3126 PolarHBondContact O-N 2.93Å; L3096-I3126 HydrophobicContact CD1-CD1 4.45Å; I3126-I3128 HydrophobicContact CG2-CD1 4.32Å; I3126-I3128 HydrophobicContact CG2-CG1 4.05Å |
| 3127 | F | 89.7 | Confident | 72.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.4 | 176.7 | -59.2 | -92.8 | 0 | 0 | 0 | 110.3 | T3011 Y3012 F3014 V3071 Y3091 D3092 A3093 H3095 L3285 E3288 | T3011-F3127 CarbonylContact C-O 3.53Å; T3011-F3127 VanDerWaalsContact CA-O 3.28Å; T3011-F3127 WeakPolarHBondContact CA-O 3.45Å; T3011-F3127 WeakPolarHBondContact CG2-O 3.32Å; Y3012-F3127 PolarHBondContact N-O 3.14Å; Y3012-F3127 PolarHBondContact O-N 3.12Å; F3014-F3127 AromaticContact CD2-CD2 3.78Å; F3014-F3127 HydrophobicContact CD2-CD2 3.78Å; F3014-F3127 AromaticContact CD2-CE2 3.58Å; F3014-F3127 HydrophobicContact CD2-CE2 3.58Å; F3014-F3127 AromaticContact CE2-CD2 3.66Å; F3014-F3127 HydrophobicContact CE2-CD2 3.66Å; F3014-F3127 AromaticContact CE2-CE2 3.68Å; F3014-F3127 HydrophobicContact CE2-CE2 3.68Å; V3071-F3127 HydrophobicContact CG2-CE1 4.28Å; Y3091-F3127 HydrophobicContact CD1-CB 4.18Å; D3092-F3127 CarbonylContact O-C 3.56Å; D3092-F3127 WeakPolarHBondContact O-CA 3.15Å; A3093-F3127 HydrophobicContact CB-CD1 3.53Å; A3093-F3127 HydrophobicContact CB-CE1 3.49Å; A3093-F3127 VanDerWaalsContact CB-CE1 3.49Å; A3093-F3127 HydrophobicContact CB-CZ 4.49Å; H3095-F3127 AromaticContact CE1-CZ 3.84Å; F3127-L3285 HydrophobicContact CB-CD1 4.14Å; F3127-L3285 HydrophobicContact CB-CD2 4.46Å; F3127-L3285 HydrophobicContact CD1-CD2 3.81Å; F3127-L3285 HydrophobicContact CD2-CB 4.27Å; F3127-L3285 HydrophobicContact CE1-CD2 4.19Å; F3127-L3285 HydrophobicContact CE2-CB 4.29Å; F3127-L3285 HydrophobicContact CG-CB 4.41Å; F3127-L3285 HydrophobicContact CG-CD1 4.33Å; F3127-L3285 HydrophobicContact CG-CD2 4.14Å; F3127-L3285 HydrophobicContact CZ-CB 4.46Å; F3127-L3285 WeakPolarHBondContact CZ-O 3.31Å; F3127-E3288 HydrophobicContact CE1-CB 4.34Å; F3127-E3288 HydrophobicContact CZ-CB 4.38Å |
| 3128 | I | 87 | Confident | 71.8 | Confident | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.7 | -177.9 | -61.8 | 168.7 | 0 | 0 | 0 | 109.9 | R2971 S2974 T3011 Y3091 D3092 I3126 K3130 | R2971-I3128 HydrophobicContact CG-CD1 4.16Å; R2971-I3128 HydrophobicContact CG-CG2 4.38Å; S2974-I3128 VanDerWaalsContact OG-CD1 3.26Å; S2974-I3128 WeakPolarHBondContact OG-CD1 3.35Å; T3011-I3128 HydrophobicContact CG2-CG1 3.64Å; Y3091-I3128 CarbonylContact C-O 3.57Å; Y3091-I3128 VanDerWaalsContact CA-O 3.26Å; Y3091-I3128 WeakPolarHBondContact CA-O 3.41Å; D3092-I3128 PolarHBondContact N-O 3.22Å; D3092-I3128 PolarHBondContact O-N 3.11Å; I3126-I3128 HydrophobicContact CG2-CD1 4.32Å; I3126-I3128 HydrophobicContact CG2-CG1 4.05Å; I3128-K3130 PolarHBondContact O-N 3.12Å |
| 3129 | D | 83 | Confident | 70 | Confident | 11.5 Ų | 11.5 | 66.9 Ų | 66.9 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 121.1 | 172.7 | -173.8 | -14.1 | 0 | 0 | 0 | 110.9 | Y3091 Y3131 R3135 | Y3091-D3129 HydrophobicContact CD1-CB 4.22Å; Y3091-D3129 HydrophobicContact CE1-CB 3.78Å; D3129-Y3131 VanDerWaalsContact C-N 3.29Å; D3129-Y3131 PolarHBondContact O-N 3.35Å; D3129-Y3131 PolarHBondContact OD1-N 2.77Å; D3129-Y3131 VanDerWaalsContact OD1-N 3.11Å; D3129-R3135 IonicContact OD2-CZ 3.63Å; D3129-R3135 IonicContact OD2-NH2 3.98Å; D3129-R3135 PolarHBondContact OD2-NH2 2.87Å |
| 3130 | K | 74.7 | Confident | 67.8 | Low | 82.5 Ų | 82.5 | 70.3 Ų | 70.3 | 36% | 0.359 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -65.4 | -30.7 | -179.1 | -77.9 | -168.4 | 175.8 | 178.4 | 0 | 114.3 | T3070 E3090 D3092 I3128 E3132 | T3070-K3130 VanDerWaalsContact CG2-NZ 3.26Å; T3070-K3130 PolarHBondContact OG1-NZ 2.94Å; E3090-K3130 HydrophobicContact CB-CD 4.1Å; E3090-K3130 HydrophobicContact CB-CG 4.46Å; E3090-K3130 PolarHBondContact O-N 3.15Å; E3090-K3130 VanDerWaalsContact O-N 3.15Å; E3090-K3130 IonicContact OE2-NZ 3.61Å; D3092-K3130 WeakPolarHBondContact OD1-CE 3.41Å; D3092-K3130 IonicContact OD1-NZ 3.59Å; D3092-K3130 PolarHBondContact OD1-NZ 3.04Å; D3092-K3130 WeakPolarHBondContact OD2-CE 3.43Å; D3092-K3130 WeakPolarHBondContact OD2-CG 3.45Å; I3128-K3130 PolarHBondContact O-N 3.12Å; K3130-E3132 VanDerWaalsContact C-N 3.34Å; K3130-E3132 PolarHBondContact O-N 3.12Å |
| 3131 | Y | 65.2 | Low | 65.7 | Low | 119.5 Ų | 119.5 | 73.9 Ų | 73.9 | 47% | 0.469 | 34% | 0.337 | S | S | . | . | trans | -86 | 49.8 | -169.1 | -72.8 | -82.3 | 0 | 0 | 0 | 112.5 | E3090 D3129 R3133 | E3090-Y3131 HydrophobicContact CB-CE2 3.9Å; E3090-Y3131 HydrophobicContact CG-CE2 4.1Å; E3090-Y3131 PolarHBondContact OE2-OH 2.88Å; D3129-Y3131 VanDerWaalsContact C-N 3.29Å; D3129-Y3131 PolarHBondContact O-N 3.35Å; D3129-Y3131 PolarHBondContact OD1-N 2.77Å; D3129-Y3131 VanDerWaalsContact OD1-N 3.11Å; Y3131-R3133 VanDerWaalsContact C-N 3.3Å; Y3131-R3133 VanDerWaalsContact CB-NE 3.34Å; Y3131-R3133 WeakPolarHBondContact O-CG 3.43Å; Y3131-R3133 PolarHBondContact O-N 3.09Å | ||
| 3132 | E | 59 | Low | 63.4 | Low | 129 Ų | 129 | 82.3 Ų | 82.3 | 60% | 0.603 | 37% | 0.374 | S | S | * | . | trans | -12.2 | 1 | 179.9 | -63.8 | -164.2 | 144.2 | 0 | 0 | 115 | R2971 R3010 K3130 V3134 | R2971-E3132 IonicContact CZ-OE1 3.1Å; R2971-E3132 IonicContact NH1-OE1 3.23Å; R2971-E3132 PolarHBondContact NH1-OE1 3.23Å; R2971-E3132 IonicContact NH2-OE1 3.18Å; R3010-E3132 PolarHBondContact NH1-O 3.15Å; K3130-E3132 VanDerWaalsContact C-N 3.34Å; K3130-E3132 PolarHBondContact O-N 3.12Å; E3132-V3134 PolarHBondContact O-N 3.17Å; E3132-V3134 VanDerWaalsContact O-N 3.11Å | ||
| 3133 | R | 51.6 | Low | 60.9 | Low | 173 Ų | 173 | 82.1 Ų | 82.1 | 65% | 0.653 | 38% | 0.377 | S | S | * | . | trans | -66.1 | 126.3 | -173.2 | -63.2 | -174.2 | -168.3 | 172.2 | 7 | 109.5 | Y3131 R3135 | Y3131-R3133 VanDerWaalsContact C-N 3.3Å; Y3131-R3133 VanDerWaalsContact CB-NE 3.34Å; Y3131-R3133 WeakPolarHBondContact O-CG 3.43Å; Y3131-R3133 PolarHBondContact O-N 3.09Å; R3133-R3135 VanDerWaalsContact C-N 3.34Å; R3133-R3135 PolarHBondContact O-N 3.37Å | ||
| 3134 | V | 47.3 | Very low | 58.3 | Low | 112.5 Ų | 112.5 | 87.4 Ų | 87.4 | 68% | 0.682 | 40% | 0.402 | S | S | * | . | trans | -54.6 | 105.4 | 170.4 | -178 | 0 | 0 | 0 | 0 | 107.7 | E3132 K3136 | E3132-V3134 PolarHBondContact O-N 3.17Å; E3132-V3134 VanDerWaalsContact O-N 3.11Å; V3134-K3136 VanDerWaalsContact C-N 3.28Å; V3134-K3136 PolarHBondContact O-N 3.23Å | ||
| 3135 | R | 44.3 | Very low | 56.1 | Low | 91.5 Ų | 91.5 | 94.3 Ų | 94.3 | 35% | 0.345 | 44% | 0.439 | S | S | . | . | trans | -65.3 | 99 | 170 | -72.8 | -175.3 | -173.7 | -176.3 | 2.1 | 106.5 | S3089 D3129 R3133 Y3137 Y3278 | S3089-R3135 PolarHBondContact OG-NH2 2.94Å; D3129-R3135 IonicContact OD2-CZ 3.63Å; D3129-R3135 IonicContact OD2-NH2 3.98Å; D3129-R3135 PolarHBondContact OD2-NH2 2.87Å; R3133-R3135 VanDerWaalsContact C-N 3.34Å; R3133-R3135 PolarHBondContact O-N 3.37Å; R3135-Y3137 VanDerWaalsContact C-N 3.27Å; R3135-Y3137 HydrophobicContact CB-CD2 4.07Å; R3135-Y3137 HydrophobicContact CB-CE2 3.82Å; R3135-Y3137 WeakPolarHBondContact O-CD2 3.32Å; R3135-Y3137 PolarHBondContact O-N 3.14Å; R3135-Y3278 VanDerWaalsContact NH1-CE1 3.29Å; R3135-Y3278 VanDerWaalsContact NH1-CZ 3.32Å; R3135-Y3278 PolarHBondContact NH1-OH 3.49Å | ||
| 3136 | K | 41.2 | Very low | 53.4 | Low | 193.5 Ų | 193.5 | 100.8 Ų | 100.8 | 84% | 0.841 | 47% | 0.469 | S | S | * | . | trans | -60.4 | 110.2 | 165.1 | -79.2 | -173.3 | 174 | -174 | 0 | 107 | V3134 S3138 | V3134-K3136 VanDerWaalsContact C-N 3.28Å; V3134-K3136 PolarHBondContact O-N 3.23Å; K3136-S3138 VanDerWaalsContact C-N 3.27Å; K3136-S3138 PolarHBondContact O-N 3.28Å | ||
| 3137 | Y | 40.5 | Very low | 50.7 | Low | 93 Ų | 93 | 104.7 Ų | 104.7 | 37% | 0.365 | 49% | 0.49 | S | S | . | . | trans | -73.1 | 87.8 | 178.3 | -90.1 | -88.9 | 0 | 0 | 0 | 109.1 | F3008 R3135 F3139 F3140 | F3008-Y3137 AromaticContact CD1-CE2 3.72Å; F3008-Y3137 HydrophobicContact CD1-CE2 3.72Å; F3008-Y3137 AromaticContact CD1-CZ 3.92Å; F3008-Y3137 WeakPolarHBondContact CD1-OH 3.31Å; F3008-Y3137 HydrophobicContact CE1-CD2 4.46Å; F3008-Y3137 HydrophobicContact CE1-CE1 4.34Å; F3008-Y3137 AromaticContact CE1-CE2 3.41Å; F3008-Y3137 HydrophobicContact CE1-CE2 3.41Å; F3008-Y3137 VanDerWaalsContact CE1-CE2 3.41Å; F3008-Y3137 AromaticContact CE1-CZ 3.33Å; F3008-Y3137 WeakPolarHBondContact CE1-OH 3.02Å; R3135-Y3137 VanDerWaalsContact C-N 3.27Å; R3135-Y3137 HydrophobicContact CB-CD2 4.07Å; R3135-Y3137 HydrophobicContact CB-CE2 3.82Å; R3135-Y3137 WeakPolarHBondContact O-CD2 3.32Å; R3135-Y3137 PolarHBondContact O-N 3.14Å; Y3137-F3139 VanDerWaalsContact C-N 3.32Å; Y3137-F3139 PolarHBondContact O-N 3.37Å; Y3137-F3140 HydrophobicContact CD1-CB 4.37Å; Y3137-F3140 AromaticContact CD1-CD2 3.6Å; Y3137-F3140 HydrophobicContact CD1-CD2 3.6Å; Y3137-F3140 HydrophobicContact CD1-CE2 4.38Å; Y3137-F3140 HydrophobicContact CD1-CG 4.4Å; Y3137-F3140 AromaticContact CE1-CD2 3.5Å; Y3137-F3140 HydrophobicContact CE1-CD2 3.5Å; Y3137-F3140 AromaticContact CE1-CE2 3.82Å; Y3137-F3140 HydrophobicContact CE1-CE2 3.82Å; Y3137-F3140 PolarHBondContact O-N 3.47Å | ||
| 3138 | S | 40.6 | Very low | 48.2 | Very low | 94.5 Ų | 94.5 | 107.6 Ų | 107.6 | 66% | 0.661 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -4 | 168.8 | 60.9 | 0 | 0 | 0 | 0 | 113 | K3136 F3140 | K3136-S3138 VanDerWaalsContact C-N 3.27Å; K3136-S3138 PolarHBondContact O-N 3.28Å; S3138-F3140 VanDerWaalsContact C-N 3.31Å; S3138-F3140 PolarHBondContact O-N 2.83Å |
| 3139 | F | 37.5 | Very low | 45.6 | Very low | 161.5 Ų | 161.5 | 110.2 Ų | 110.2 | 71% | 0.708 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -79.2 | -28.6 | -179 | -151.9 | -91.5 | 0 | 0 | 0 | 113.2 | Y3137 A3143 | Y3137-F3139 VanDerWaalsContact C-N 3.32Å; Y3137-F3139 PolarHBondContact O-N 3.37Å; F3139-A3143 PolarHBondContact O-N 3.26Å |
| 3140 | F | 37.8 | Very low | 43.2 | Very low | 72.5 Ų | 72.5 | 112.7 Ų | 112.7 | 32% | 0.318 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -84.4 | -19.4 | 179.7 | -88.3 | -85.7 | 0 | 0 | 0 | 114.3 | L3007 F3008 Y3137 S3138 K3142 A3143 E3144 | L3007-F3140 HydrophobicContact CD2-CZ 4.35Å; F3008-F3140 HydrophobicContact CE1-CE2 4.16Å; F3008-F3140 HydrophobicContact CZ-CE2 4.29Å; F3008-F3140 HydrophobicContact CZ-CZ 4.43Å; Y3137-F3140 HydrophobicContact CD1-CB 4.37Å; Y3137-F3140 AromaticContact CD1-CD2 3.6Å; Y3137-F3140 HydrophobicContact CD1-CD2 3.6Å; Y3137-F3140 HydrophobicContact CD1-CE2 4.38Å; Y3137-F3140 HydrophobicContact CD1-CG 4.4Å; Y3137-F3140 AromaticContact CE1-CD2 3.5Å; Y3137-F3140 HydrophobicContact CE1-CD2 3.5Å; Y3137-F3140 AromaticContact CE1-CE2 3.82Å; Y3137-F3140 HydrophobicContact CE1-CE2 3.82Å; Y3137-F3140 PolarHBondContact O-N 3.47Å; S3138-F3140 VanDerWaalsContact C-N 3.31Å; S3138-F3140 PolarHBondContact O-N 2.83Å; F3140-K3142 PolarHBondContact O-N 3.17Å; F3140-K3142 VanDerWaalsContact O-N 3.14Å; F3140-A3143 HydrophobicContact CD1-CB 4.08Å; F3140-A3143 HydrophobicContact CE1-CB 4.34Å; F3140-A3143 HydrophobicContact CG-CB 4.41Å; F3140-A3143 PolarHBondContact O-N 2.98Å; F3140-A3143 VanDerWaalsContact O-N 3.11Å; F3140-E3144 PolarHBondContact O-N 3.04Å; F3140-E3144 VanDerWaalsContact O-N 3.1Å |
| 3141 | E | 40.1 | Very low | 41.2 | Very low | 164 Ų | 164 | 115.5 Ų | 115.5 | 77% | 0.766 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.3 | -25.2 | 173.3 | -83.3 | -176.7 | 162.7 | 0 | 0 | 112.7 | ||
| 3142 | K | 39 | Very low | 39.7 | Very low | 179 Ų | 179 | 120.5 Ų | 120.5 | 78% | 0.778 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -93.8 | -19.1 | 172.4 | -70.4 | -172.2 | 177.6 | -178.6 | 0 | 113.9 | F3140 | F3140-K3142 PolarHBondContact O-N 3.17Å; F3140-K3142 VanDerWaalsContact O-N 3.14Å |
| 3143 | A | 37.7 | Very low | 38.4 | Very low | 23 Ų | 23 | 124.9 Ų | 124.9 | 19% | 0.19 | 60% | 0.602 | C | S | . | * | H | α-helix | trans | -85.8 | -18.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F3139 F3140 D3145 E3146 L3147 | F3139-A3143 PolarHBondContact O-N 3.26Å; F3140-A3143 HydrophobicContact CD1-CB 4.08Å; F3140-A3143 HydrophobicContact CE1-CB 4.34Å; F3140-A3143 HydrophobicContact CG-CB 4.41Å; F3140-A3143 PolarHBondContact O-N 2.98Å; F3140-A3143 VanDerWaalsContact O-N 3.11Å; A3143-D3145 VanDerWaalsContact C-N 3.27Å; A3143-D3145 PolarHBondContact O-N 3.15Å; A3143-E3146 PolarHBondContact O-N 2.94Å; A3143-E3146 VanDerWaalsContact O-N 3.15Å; A3143-L3147 VanDerWaalsContact O-CB 3.31Å; A3143-L3147 WeakPolarHBondContact O-CB 3.26Å; A3143-L3147 PolarHBondContact O-N 3.06Å |
| 3144 | E | 36.6 | Very low | 37.2 | Very low | 111.5 Ų | 111.5 | 127.5 Ų | 127.5 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61 | -32.9 | 176 | -76.8 | -163.9 | 151.7 | 0 | 0 | 112.4 | R2953 F3140 | R2953-E3144 IonicContact CZ-OE1 3.29Å; R2953-E3144 IonicContact NH1-OE1 3.25Å; R2953-E3144 PolarHBondContact NH1-OE1 2.77Å; R2953-E3144 IonicContact NH1-OE2 3.45Å; R2953-E3144 IonicContact NH2-OE1 3.4Å; R2953-E3144 PolarHBondContact NH2-OE1 3.49Å; R2953-E3144 IonicContact NH2-OE2 3.1Å; R2953-E3144 PolarHBondContact NH2-OE2 3.24Å; F3140-E3144 PolarHBondContact O-N 3.04Å; F3140-E3144 VanDerWaalsContact O-N 3.1Å |
| 3145 | D | 42.8 | Very low | 36.4 | Very low | 148.5 Ų | 148.5 | 126.6 Ų | 126.6 | 79% | 0.794 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73 | -30.4 | 175 | -78.6 | -20 | 0 | 0 | 0 | 113 | A3143 | A3143-D3145 VanDerWaalsContact C-N 3.27Å; A3143-D3145 PolarHBondContact O-N 3.15Å |
| 3146 | E | 35.7 | Very low | 35.7 | Very low | 136.5 Ų | 136.5 | 129.9 Ų | 129.9 | 64% | 0.638 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -91.1 | -32.3 | -180 | -78.2 | -166.7 | 156.6 | 0 | 0 | 113.9 | A3143 G3148 S3149 T3150 | A3143-E3146 PolarHBondContact O-N 2.94Å; A3143-E3146 VanDerWaalsContact O-N 3.15Å; E3146-G3148 VanDerWaalsContact C-N 3.3Å; E3146-G3148 PolarHBondContact O-N 3.11Å; E3146-S3149 PolarHBondContact O-N 2.88Å; E3146-S3149 VanDerWaalsContact O-N 3.08Å; E3146-S3149 PolarHBondContact O-OG 3.1Å; E3146-T3150 WeakPolarHBondContact O-CB 3.25Å; E3146-T3150 PolarHBondContact O-N 3.22Å; E3146-T3150 PolarHBondContact O-OG1 2.83Å |
| 3147 | L | 33.9 | Very low | 35.2 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 44% | 0.435 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.4 | -32 | -175 | -156.8 | 72.4 | 0 | 0 | 0 | 111.6 | A3143 S3149 I3151 | A3143-L3147 VanDerWaalsContact O-CB 3.31Å; A3143-L3147 WeakPolarHBondContact O-CB 3.26Å; A3143-L3147 PolarHBondContact O-N 3.06Å; L3147-S3149 VanDerWaalsContact C-N 3.32Å; L3147-S3149 PolarHBondContact O-N 3.24Å; L3147-I3151 HydrophobicContact CG-CD1 4.3Å; L3147-I3151 WeakPolarHBondContact O-CG1 3.23Å; L3147-I3151 PolarHBondContact O-N 2.92Å |
| 3148 | G | 36.8 | Very low | 34.6 | Very low | 60.5 Ų | 60.5 | 126.5 Ų | 126.5 | 62% | 0.624 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.8 | -32.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E3146 | E3146-G3148 VanDerWaalsContact C-N 3.3Å; E3146-G3148 PolarHBondContact O-N 3.11Å |
| 3149 | S | 33.3 | Very low | 34 | Very low | 73.5 Ų | 73.5 | 129.7 Ų | 129.7 | 51% | 0.514 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -86.1 | -31.7 | 179.8 | 115.3 | 0 | 0 | 0 | 0 | 112.9 | E3146 L3147 R3152 | E3146-S3149 PolarHBondContact O-N 2.88Å; E3146-S3149 VanDerWaalsContact O-N 3.08Å; E3146-S3149 PolarHBondContact O-OG 3.1Å; L3147-S3149 VanDerWaalsContact C-N 3.32Å; L3147-S3149 PolarHBondContact O-N 3.24Å; S3149-R3152 PolarHBondContact O-N 3.39Å |
| 3150 | T | 31.5 | Very low | 33.7 | Very low | 63.5 Ų | 63.5 | 127.5 Ų | 127.5 | 39% | 0.39 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -78.4 | -31.8 | -171.8 | -44.1 | 0 | 0 | 0 | 0 | 112.3 | E3146 R3152 R3153 R3154 | E3146-T3150 WeakPolarHBondContact O-CB 3.25Å; E3146-T3150 PolarHBondContact O-N 3.22Å; E3146-T3150 PolarHBondContact O-OG1 2.83Å; T3150-R3152 PolarHBondContact O-N 3.26Å; T3150-R3153 PolarHBondContact O-N 3.33Å; T3150-R3154 PolarHBondContact O-N 3.12Å |
| 3151 | I | 33.8 | Very low | 33.2 | Very low | 141 Ų | 141 | 129.5 Ų | 129.5 | 72% | 0.723 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -22.6 | 175.9 | -64.2 | 173.3 | 0 | 0 | 0 | 111.6 | L3147 | L3147-I3151 HydrophobicContact CG-CD1 4.3Å; L3147-I3151 WeakPolarHBondContact O-CG1 3.23Å; L3147-I3151 PolarHBondContact O-N 2.92Å |
| 3152 | R | 32.6 | Very low | 32.8 | Very low | 226.5 Ų | 226.5 | 130.1 Ų | 130.1 | 86% | 0.855 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -8.1 | 178.5 | -105.6 | -178.9 | 179 | 165.7 | 0.6 | 115.9 | S3149 T3150 | S3149-R3152 PolarHBondContact O-N 3.39Å; T3150-R3152 PolarHBondContact O-N 3.26Å |
| 3153 | R | 31.3 | Very low | 32.5 | Very low | 220.5 Ų | 220.5 | 126.5 Ų | 126.5 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | -3.8 | -173.8 | -83.1 | -167.3 | 179.8 | 178 | 2.3 | 117.5 | T3150 S3155 | T3150-R3153 PolarHBondContact O-N 3.33Å; R3153-S3155 PolarHBondContact O-N 3.16Å |
| 3154 | R | 27.5 | Very low | 32.3 | Very low | 226.5 Ų | 226.5 | 129.3 Ų | 129.3 | 86% | 0.855 | 69% | 0.693 | S | S | * | * | trans | -99.6 | 65.7 | 172.3 | -79.1 | -174 | 179.3 | 174.5 | 1.2 | 112.1 | T3150 | T3150-R3154 PolarHBondContact O-N 3.12Š| ||
| 3155 | S | 30.1 | Very low | 32.2 | Very low | 94.5 Ų | 94.5 | 128.5 Ų | 128.5 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | trans | -114.4 | 31.4 | 162.5 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | R3153 | R3153-S3155 PolarHBondContact O-N 3.16Š| ||
| 3156 | H | 29.2 | Very low | 32 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -134.6 | 112.3 | 173.2 | -72.2 | -61.5 | 0 | 0 | 0 | 110.7 | G3158 | H3156-G3158 PolarHBondContact O-N 2.99Š|
| 3157 | T | 30.3 | Very low | 32.3 | Very low | 146.5 Ų | 146.5 | 124.6 Ų | 124.6 | 90% | 0.899 | 67% | 0.669 | S | S | * | * | trans | 37.5 | 86.2 | 152.1 | 56.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3158 | G | 27.9 | Very low | 32.5 | Very low | 68.5 Ų | 68.5 | 127.5 Ų | 127.5 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | trans | -159.1 | 125.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | H3156 | H3156-G3158 PolarHBondContact O-N 2.99Š| ||
| 3159 | D | 28.9 | Very low | 32.5 | Very low | 163.5 Ų | 163.5 | 128.1 Ų | 128.1 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -54 | 134.1 | -178.6 | -82.6 | -39.2 | 0 | 0 | 0 | 110.7 | S3161 | D3159-S3161 PolarHBondContact O-N 3.22Š|
| 3160 | P | 30 | Very low | 32.5 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 122.3 | -174.9 | 25.7 | -31.7 | 0 | 0 | 0 | 109.6 | E3162 | P3160-E3162 PolarHBondContact O-N 2.76Å; P3160-E3162 VanDerWaalsContact O-N 3.07Å |
| 3161 | S | 28.9 | Very low | 32.9 | Very low | 114.5 Ų | 114.5 | 127 Ų | 127 | 80% | 0.801 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 120.9 | 173 | -159.8 | 0 | 0 | 0 | 0 | 108.8 | D3159 V3163 | D3159-S3161 PolarHBondContact O-N 3.22Å; S3161-V3163 PolarHBondContact O-N 3.25Å |
| 3162 | E | 30.3 | Very low | 33.2 | Very low | 176.5 Ų | 176.5 | 128.8 Ų | 128.8 | 83% | 0.825 | 67% | 0.669 | S | S | * | * | trans | -52.1 | 114 | -177.4 | -76.3 | -179 | 149.8 | 0 | 0 | 109.8 | P3160 V3164 | P3160-E3162 PolarHBondContact O-N 2.76Å; P3160-E3162 VanDerWaalsContact O-N 3.07Å; E3162-V3164 PolarHBondContact O-N 3.2Å | ||
| 3163 | V | 33.1 | Very low | 33.5 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 62% | 0.624 | 67% | 0.665 | S | S | * | * | trans | -65.3 | 96 | 169.1 | 178.7 | 0 | 0 | 0 | 0 | 106.3 | S3161 P3165 | S3161-V3163 PolarHBondContact O-N 3.25Å; V3163-P3165 WeakPolarHBondContact O-CD 3.4Å | ||
| 3164 | V | 33.6 | Very low | 33.9 | Very low | 82.5 Ų | 82.5 | 119.6 Ų | 119.6 | 50% | 0.5 | 65% | 0.646 | S | S | . | * | trans | -65 | 110.4 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | E3162 M3166 | E3162-V3164 PolarHBondContact O-N 3.2Å; V3164-M3166 PolarHBondContact O-N 3.49Å | ||
| 3165 | P | 34.9 | Very low | 34.5 | Very low | 94.5 Ų | 94.5 | 112.3 Ų | 112.3 | 61% | 0.614 | 62% | 0.623 | S | S | * | * | trans | -63.8 | 133.3 | 174.3 | 8.3 | -1.1 | 0 | 0 | 0 | 107.6 | V3163 R3167 | V3163-P3165 WeakPolarHBondContact O-CD 3.4Å; P3165-R3167 PolarHBondContact O-N 2.88Å | ||
| 3166 | M | 39.4 | Very low | 35 | Very low | 67 Ų | 67 | 110.8 Ų | 110.8 | 33% | 0.33 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -68.7 | 24.1 | -174.5 | -149.7 | -175.5 | -72.8 | 0 | 0 | 112.7 | Y2966 Y3002 R3005 F3013 V3164 Q3282 | Y2966-M3166 HydrophobicContact CE2-CE 4.27Å; Y3002-M3166 WeakPolarHBondContact O-CE 3.42Å; R3005-M3166 HydrophobicContact CB-CE 3.84Å; R3005-M3166 VanDerWaalsContact N-CE 3.34Å; F3013-M3166 HydrophobicContact CB-SD 4.2Å; F3013-M3166 HydrophobicContact CD1-SD 3.59Å; F3013-M3166 VanDerWaalsContact CD1-SD 3.59Å; F3013-M3166 HydrophobicContact CG-SD 4.37Å; F3013-M3166 WeakPolarHBondContact O-CG 3.38Å; F3013-M3166 VanDerWaalsContact O-SD 3.33Å; V3164-M3166 PolarHBondContact O-N 3.49Å; M3166-Q3282 PolarHBondContact SD-NE2 2.75Å |
| 3167 | R | 41.3 | Very low | 35.7 | Very low | 135.5 Ų | 135.5 | 107.5 Ų | 107.5 | 51% | 0.511 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.2 | 49.9 | 176.2 | -75.3 | -169.5 | -175.2 | -176.4 | 4.9 | 112.9 | S2999 P3165 | S2999-R3167 PolarHBondContact O-NH2 3.17Å; P3165-R3167 PolarHBondContact O-N 2.88Å |
| 3168 | R | 39 | Very low | 36 | Very low | 143.5 Ų | 143.5 | 104.2 Ų | 104.2 | 54% | 0.542 | 58% | 0.582 | S | S | . | * | trans | 131.7 | 110.8 | 168.1 | -109.7 | 179.1 | -179.2 | 155 | -2.5 | 114.6 | E3017 L3170 | E3017-R3168 IonicContact OE2-NH2 3.5Å; E3017-R3168 PolarHBondContact OE2-NH2 3.3Å; R3168-L3170 HydrophobicContact CB-CG 4.29Å; R3168-L3170 HydrophobicContact CG-CD2 4.35Å; R3168-L3170 HydrophobicContact CG-CG 4.37Å; R3168-L3170 PolarHBondContact O-N 2.87Å | ||
| 3169 | A | 36.7 | Very low | 36.6 | Very low | 74.5 Ų | 74.5 | 107.6 Ų | 107.6 | 62% | 0.616 | 58% | 0.577 | S | S | * | * | trans | -79 | 99.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | L3286 | A3169-L3286 HydrophobicContact CB-CD2 3.72Š| ||
| 3170 | L | 32.1 | Very low | 37.1 | Very low | 54.5 Ų | 54.5 | 102.9 Ų | 102.9 | 29% | 0.285 | 56% | 0.557 | S | S | . | * | trans | -75.6 | 139.3 | 177.3 | -69.4 | 151.4 | 0 | 0 | 0 | 109.7 | R3168 E3174 L3175 E3178 | R3168-L3170 HydrophobicContact CB-CG 4.29Å; R3168-L3170 HydrophobicContact CG-CD2 4.35Å; R3168-L3170 HydrophobicContact CG-CG 4.37Å; R3168-L3170 PolarHBondContact O-N 2.87Å; L3170-E3174 HydrophobicContact CB-CB 4.27Å; L3170-E3174 HydrophobicContact CD2-CB 4Å; L3170-L3175 HydrophobicContact CB-CD1 4.32Å; L3170-L3175 HydrophobicContact CD1-CD1 4.37Å; L3170-E3178 WeakPolarHBondContact CD1-OE2 3.33Å; L3170-E3178 WeakPolarHBondContact CD2-OE2 3.36Å | ||
| 3171 | S | 39.7 | Very low | 37.7 | Very low | 58.5 Ų | 58.5 | 100.9 Ų | 100.9 | 41% | 0.409 | 54% | 0.543 | S | S | . | . | trans | -62.8 | 154.6 | 170.7 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | E3173 E3174 L3175 | S3171-E3173 PolarHBondContact O-N 3.16Å; S3171-E3173 VanDerWaalsContact O-N 3.16Å; S3171-E3174 PolarHBondContact N-OE2 3.14Å; S3171-E3174 VanDerWaalsContact N-OE2 3.08Å; S3171-E3174 CarbonylContact O-C 3.55Å; S3171-E3174 PolarHBondContact O-N 2.86Å; S3171-E3174 WeakPolarHBondContact OG-CB 3.36Å; S3171-E3174 VanDerWaalsContact OG-CD 3.25Å; S3171-E3174 VanDerWaalsContact OG-CG 3.23Å; S3171-E3174 WeakPolarHBondContact OG-CG 3.43Å; S3171-E3174 PolarHBondContact OG-N 3.21Å; S3171-E3174 PolarHBondContact OG-OE2 3.08Å; S3171-L3175 PolarHBondContact O-N 2.9Å | ||
| 3172 | Q | 39.9 | Very low | 38 | Very low | 178 Ų | 178 | 99.5 Ų | 99.5 | 83% | 0.832 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.3 | -29.5 | -174.4 | -160 | 173.5 | 3.7 | 0 | 0 | 113.1 | A3176 | Q3172-A3176 PolarHBondContact O-N 3.27Å |
| 3173 | E | 40.4 | Very low | 38.5 | Very low | 165 Ų | 165 | 99.2 Ų | 99.2 | 77% | 0.771 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.5 | -43.3 | 172 | -79.7 | -177.1 | 148.6 | 0 | 0 | 112.4 | S3171 L3175 A3176 V3177 | S3171-E3173 PolarHBondContact O-N 3.16Å; S3171-E3173 VanDerWaalsContact O-N 3.16Å; E3173-L3175 VanDerWaalsContact C-N 3.29Å; E3173-L3175 PolarHBondContact O-N 3.15Å; E3173-A3176 PolarHBondContact O-N 3.32Å; E3173-A3176 VanDerWaalsContact O-N 3.14Å; E3173-V3177 WeakPolarHBondContact O-CG2 3.32Å; E3173-V3177 PolarHBondContact O-N 2.91Å |
| 3174 | E | 38.3 | Very low | 38.8 | Very low | 89 Ų | 89 | 102 Ų | 102 | 42% | 0.416 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 173.7 | -72.6 | 170.2 | 142.6 | 0 | 0 | 111.3 | L3170 S3171 A3176 V3177 E3178 | L3170-E3174 HydrophobicContact CB-CB 4.27Å; L3170-E3174 HydrophobicContact CD2-CB 4Å; S3171-E3174 PolarHBondContact N-OE2 3.14Å; S3171-E3174 VanDerWaalsContact N-OE2 3.08Å; S3171-E3174 CarbonylContact O-C 3.55Å; S3171-E3174 PolarHBondContact O-N 2.86Å; S3171-E3174 WeakPolarHBondContact OG-CB 3.36Å; S3171-E3174 VanDerWaalsContact OG-CD 3.25Å; S3171-E3174 VanDerWaalsContact OG-CG 3.23Å; S3171-E3174 WeakPolarHBondContact OG-CG 3.43Å; S3171-E3174 PolarHBondContact OG-N 3.21Å; S3171-E3174 PolarHBondContact OG-OE2 3.08Å; E3174-A3176 VanDerWaalsContact C-N 3.28Å; E3174-A3176 PolarHBondContact O-N 2.73Å; E3174-V3177 PolarHBondContact O-N 2.96Å; E3174-E3178 VanDerWaalsContact O-CB 3.25Å; E3174-E3178 WeakPolarHBondContact O-CB 3.47Å; E3174-E3178 PolarHBondContact O-N 3.33Å |
| 3175 | L | 39.7 | Very low | 39 | Very low | 74 Ų | 74 | 101.9 Ų | 101.9 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -33.8 | 175.3 | -158.8 | 82.7 | 0 | 0 | 0 | 112.1 | L3170 S3171 E3173 K3179 | L3170-L3175 HydrophobicContact CB-CD1 4.32Å; L3170-L3175 HydrophobicContact CD1-CD1 4.37Å; S3171-L3175 PolarHBondContact O-N 2.9Å; E3173-L3175 VanDerWaalsContact C-N 3.29Å; E3173-L3175 PolarHBondContact O-N 3.15Å; L3175-K3179 WeakPolarHBondContact O-CB 3.39Å; L3175-K3179 VanDerWaalsContact O-CG 3.25Å; L3175-K3179 WeakPolarHBondContact O-CG 3.33Å; L3175-K3179 PolarHBondContact O-N 2.83Å |
| 3176 | A | 42.2 | Very low | 38.9 | Very low | 62 Ų | 62 | 101.6 Ų | 101.6 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.4 | -43.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q3172 E3173 E3174 K3179 S3180 | Q3172-A3176 PolarHBondContact O-N 3.27Å; E3173-A3176 PolarHBondContact O-N 3.32Å; E3173-A3176 VanDerWaalsContact O-N 3.14Å; E3174-A3176 VanDerWaalsContact C-N 3.28Å; E3174-A3176 PolarHBondContact O-N 2.73Å; A3176-K3179 PolarHBondContact O-N 2.85Å; A3176-S3180 PolarHBondContact O-N 3.06Å |
| 3177 | V | 42.5 | Very low | 38.8 | Very low | 92.5 Ų | 92.5 | 102 Ų | 102 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -43.5 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | E3173 E3174 S3180 T3181 | E3173-V3177 WeakPolarHBondContact O-CG2 3.32Å; E3173-V3177 PolarHBondContact O-N 2.91Å; E3174-V3177 PolarHBondContact O-N 2.96Å; V3177-S3180 WeakPolarHBondContact O-CB 3.45Å; V3177-S3180 PolarHBondContact O-N 2.81Å; V3177-S3180 PolarHBondContact O-OG 2.98Å; V3177-T3181 WeakPolarHBondContact O-CG2 3.09Å; V3177-T3181 PolarHBondContact O-N 3.05Å; V3177-T3181 PolarHBondContact O-OG1 3.37Å |
| 3178 | E | 36.6 | Very low | 38.6 | Very low | 76 Ų | 76 | 103.4 Ų | 103.4 | 36% | 0.355 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 176.6 | -153.7 | 176.6 | -161.3 | 0 | 0 | 111.3 | L3170 E3174 S3180 T3181 L3182 | L3170-E3178 WeakPolarHBondContact CD1-OE2 3.33Å; L3170-E3178 WeakPolarHBondContact CD2-OE2 3.36Å; E3174-E3178 VanDerWaalsContact O-CB 3.25Å; E3174-E3178 WeakPolarHBondContact O-CB 3.47Å; E3174-E3178 PolarHBondContact O-N 3.33Å; E3178-S3180 PolarHBondContact O-N 2.88Å; E3178-S3180 VanDerWaalsContact O-N 3.11Å; E3178-T3181 WeakPolarHBondContact CA-OG1 3.37Å; E3178-T3181 PolarHBondContact O-N 3.22Å; E3178-T3181 VanDerWaalsContact O-N 3.14Å; E3178-T3181 PolarHBondContact O-OG1 3.12Å; E3178-L3182 HydrophobicContact CG-CD1 4.07Å; E3178-L3182 WeakPolarHBondContact O-CA 3.3Å; E3178-L3182 WeakPolarHBondContact O-CB 3.39Å; E3178-L3182 PolarHBondContact O-N 2.98Å |
| 3179 | K | 40.9 | Very low | 38.4 | Very low | 139.5 Ų | 139.5 | 99.1 Ų | 99.1 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -54.5 | -35.2 | 171 | -87.3 | 177.6 | 177.3 | 176.8 | 0 | 112.8 | L3175 A3176 K3183 | L3175-K3179 WeakPolarHBondContact O-CB 3.39Å; L3175-K3179 VanDerWaalsContact O-CG 3.25Å; L3175-K3179 WeakPolarHBondContact O-CG 3.33Å; L3175-K3179 PolarHBondContact O-N 2.83Å; A3176-K3179 PolarHBondContact O-N 2.85Å; K3179-K3183 WeakPolarHBondContact O-CB 3.4Å; K3179-K3183 WeakPolarHBondContact O-CG 3.24Å; K3179-K3183 PolarHBondContact O-N 2.82Å |
| 3180 | S | 40.5 | Very low | 38.5 | Very low | 66 Ų | 66 | 98.7 Ų | 98.7 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.6 | -37.1 | 178.8 | 83.8 | 0 | 0 | 0 | 0 | 113.4 | A3176 V3177 E3178 | A3176-S3180 PolarHBondContact O-N 3.06Å; V3177-S3180 WeakPolarHBondContact O-CB 3.45Å; V3177-S3180 PolarHBondContact O-N 2.81Å; V3177-S3180 PolarHBondContact O-OG 2.98Å; E3178-S3180 PolarHBondContact O-N 2.88Å; E3178-S3180 VanDerWaalsContact O-N 3.11Å |
| 3181 | T | 41.6 | Very low | 38.8 | Very low | 72 Ų | 72 | 99.8 Ų | 99.8 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -82.5 | -39.4 | 179.5 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | V3177 E3178 K3183 K3184 S3185 | V3177-T3181 WeakPolarHBondContact O-CG2 3.09Å; V3177-T3181 PolarHBondContact O-N 3.05Å; V3177-T3181 PolarHBondContact O-OG1 3.37Å; E3178-T3181 WeakPolarHBondContact CA-OG1 3.37Å; E3178-T3181 PolarHBondContact O-N 3.22Å; E3178-T3181 VanDerWaalsContact O-N 3.14Å; E3178-T3181 PolarHBondContact O-OG1 3.12Å; T3181-K3183 VanDerWaalsContact C-N 3.34Å; T3181-K3183 PolarHBondContact O-N 3.09Å; T3181-K3184 PolarHBondContact O-N 3.23Å; T3181-K3184 VanDerWaalsContact O-N 3.11Å; T3181-S3185 WeakPolarHBondContact O-CB 3.32Å; T3181-S3185 PolarHBondContact O-N 3.14Å |
| 3182 | L | 35.3 | Very low | 38.7 | Very low | 86.5 Ų | 86.5 | 99.2 Ų | 99.2 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 173.1 | -139.8 | 101.3 | 0 | 0 | 0 | 110.8 | E3178 K3184 S3185 L3186 | E3178-L3182 HydrophobicContact CG-CD1 4.07Å; E3178-L3182 WeakPolarHBondContact O-CA 3.3Å; E3178-L3182 WeakPolarHBondContact O-CB 3.39Å; E3178-L3182 PolarHBondContact O-N 2.98Å; L3182-K3184 VanDerWaalsContact C-N 3.31Å; L3182-K3184 PolarHBondContact O-N 3.37Å; L3182-S3185 PolarHBondContact O-N 3.06Å; L3182-L3186 HydrophobicContact CB-CD1 4.43Å; L3182-L3186 HydrophobicContact CD2-CD1 3.41Å; L3182-L3186 VanDerWaalsContact CD2-CD1 3.42Å; L3182-L3186 HydrophobicContact CG-CD1 3.81Å; L3182-L3186 HydrophobicContact CG-CG 4.47Å; L3182-L3186 WeakPolarHBondContact O-CA 3.38Å; L3182-L3186 WeakPolarHBondContact O-CB 3.33Å; L3182-L3186 PolarHBondContact O-N 2.97Å |
| 3183 | K | 40.6 | Very low | 38.4 | Very low | 170 Ų | 170 | 96.5 Ų | 96.5 | 74% | 0.739 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.3 | -37.7 | 172.3 | -92.8 | -175.6 | 174.1 | -178.7 | 0 | 113 | K3179 T3181 S3187 | K3179-K3183 WeakPolarHBondContact O-CB 3.4Å; K3179-K3183 WeakPolarHBondContact O-CG 3.24Å; K3179-K3183 PolarHBondContact O-N 2.82Å; T3181-K3183 VanDerWaalsContact C-N 3.34Å; T3181-K3183 PolarHBondContact O-N 3.09Å; K3183-S3187 PolarHBondContact O-N 3.48Å; K3183-S3187 VanDerWaalsContact O-N 3.16Å |
| 3184 | K | 40.7 | Very low | 38.2 | Very low | 161.5 Ų | 161.5 | 93.4 Ų | 93.4 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.2 | -37.7 | 178.1 | -72.2 | 179.5 | 178.3 | 176.2 | 0 | 112.6 | T3181 L3182 S3187 F3188 | T3181-K3184 PolarHBondContact O-N 3.23Å; T3181-K3184 VanDerWaalsContact O-N 3.11Å; L3182-K3184 VanDerWaalsContact C-N 3.31Å; L3182-K3184 PolarHBondContact O-N 3.37Å; K3184-S3187 PolarHBondContact O-OG 3.3Å; K3184-S3187 VanDerWaalsContact O-OG 3.06Å; K3184-F3188 PolarHBondContact O-N 3.21Å |
| 3185 | S | 37.1 | Very low | 38.1 | Very low | 80.5 Ų | 80.5 | 93.2 Ų | 93.2 | 56% | 0.563 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -77.5 | -33.4 | 178.2 | -73.8 | 0 | 0 | 0 | 0 | 112.6 | T3181 L3182 F3188 A3189 | T3181-S3185 WeakPolarHBondContact O-CB 3.32Å; T3181-S3185 PolarHBondContact O-N 3.14Å; L3182-S3185 PolarHBondContact O-N 3.06Å; S3185-F3188 PolarHBondContact O-N 2.93Å; S3185-A3189 WeakPolarHBondContact O-CB 3.34Å; S3185-A3189 PolarHBondContact O-N 3.14Å |
| 3186 | L | 33.3 | Very low | 37.8 | Very low | 88 Ų | 88 | 93.6 Ų | 93.6 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -38.1 | 170.6 | -91.1 | 146.2 | 0 | 0 | 0 | 111.5 | L3182 F3188 A3189 V3190 | L3182-L3186 HydrophobicContact CB-CD1 4.43Å; L3182-L3186 HydrophobicContact CD2-CD1 3.41Å; L3182-L3186 VanDerWaalsContact CD2-CD1 3.42Å; L3182-L3186 HydrophobicContact CG-CD1 3.81Å; L3182-L3186 HydrophobicContact CG-CG 4.47Å; L3182-L3186 WeakPolarHBondContact O-CA 3.38Å; L3182-L3186 WeakPolarHBondContact O-CB 3.33Å; L3182-L3186 PolarHBondContact O-N 2.97Å; L3186-F3188 VanDerWaalsContact C-N 3.25Å; L3186-F3188 PolarHBondContact O-N 2.93Å; L3186-A3189 PolarHBondContact O-N 3.01Å; L3186-V3190 HydrophobicContact CD2-CG2 4.16Å; L3186-V3190 WeakPolarHBondContact O-CA 3.42Å; L3186-V3190 WeakPolarHBondContact O-CB 3.31Å; L3186-V3190 WeakPolarHBondContact O-CG2 3.15Å; L3186-V3190 PolarHBondContact O-N 3.25Å |
| 3187 | S | 37.2 | Very low | 37.6 | Very low | 74 Ų | 74 | 95.5 Ų | 95.5 | 52% | 0.517 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 174.7 | 75.5 | 0 | 0 | 0 | 0 | 111.2 | K3183 K3184 S3191 | K3183-S3187 PolarHBondContact O-N 3.48Å; K3183-S3187 VanDerWaalsContact O-N 3.16Å; K3184-S3187 PolarHBondContact O-OG 3.3Å; K3184-S3187 VanDerWaalsContact O-OG 3.06Å; S3187-S3191 WeakPolarHBondContact O-CB 3.41Å; S3187-S3191 PolarHBondContact O-N 3.07Å; S3187-S3191 VanDerWaalsContact O-N 3.15Å; S3187-S3191 PolarHBondContact O-OG 3.17Å |
| 3188 | F | 36.3 | Very low | 37.1 | Very low | 165 Ų | 165 | 100.3 Ų | 100.3 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.1 | -42.3 | 176.7 | -158.5 | -91.9 | 0 | 0 | 0 | 112.7 | K3184 S3185 L3186 S3191 A3192 | K3184-F3188 PolarHBondContact O-N 3.21Å; S3185-F3188 PolarHBondContact O-N 2.93Å; L3186-F3188 VanDerWaalsContact C-N 3.25Å; L3186-F3188 PolarHBondContact O-N 2.93Å; F3188-S3191 PolarHBondContact O-N 3.32Å; F3188-A3192 VanDerWaalsContact O-CB 3.31Å; F3188-A3192 WeakPolarHBondContact O-CB 3.4Å; F3188-A3192 PolarHBondContact O-N 2.84Å |
| 3189 | A | 35.1 | Very low | 36.9 | Very low | 53.5 Ų | 53.5 | 99.5 Ų | 99.5 | 44% | 0.442 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.6 | -36.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S3185 L3186 A3192 L3193 | S3185-A3189 WeakPolarHBondContact O-CB 3.34Å; S3185-A3189 PolarHBondContact O-N 3.14Å; L3186-A3189 PolarHBondContact O-N 3.01Å; A3189-A3192 PolarHBondContact O-N 3.27Å; A3189-L3193 VanDerWaalsContact O-CB 3.31Å; A3189-L3193 WeakPolarHBondContact O-CB 3.22Å; A3189-L3193 PolarHBondContact O-N 3.3Å |
| 3190 | V | 38.3 | Very low | 36.3 | Very low | 66 Ų | 66 | 103.4 Ų | 103.4 | 40% | 0.4 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.5 | -41.3 | 173.3 | 173.8 | 0 | 0 | 0 | 0 | 110 | L3186 A3192 L3193 E3194 | L3186-V3190 HydrophobicContact CD2-CG2 4.16Å; L3186-V3190 WeakPolarHBondContact O-CA 3.42Å; L3186-V3190 WeakPolarHBondContact O-CB 3.31Å; L3186-V3190 WeakPolarHBondContact O-CG2 3.15Å; L3186-V3190 PolarHBondContact O-N 3.25Å; V3190-A3192 VanDerWaalsContact C-N 3.34Å; V3190-A3192 PolarHBondContact O-N 3.35Å; V3190-L3193 PolarHBondContact O-N 2.97Å; V3190-E3194 HydrophobicContact CG1-CG 4.29Å; V3190-E3194 VanDerWaalsContact O-CB 3.27Å; V3190-E3194 WeakPolarHBondContact O-CB 3.29Å; V3190-E3194 WeakPolarHBondContact O-CG 3.36Å; V3190-E3194 PolarHBondContact O-N 3.28Å |
| 3191 | S | 39.3 | Very low | 35.7 | Very low | 78 Ų | 78 | 106.5 Ų | 106.5 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.7 | -35.6 | 171.5 | -71.2 | 0 | 0 | 0 | 0 | 113.2 | S3187 F3188 S3195 | S3187-S3191 WeakPolarHBondContact O-CB 3.41Å; S3187-S3191 PolarHBondContact O-N 3.07Å; S3187-S3191 VanDerWaalsContact O-N 3.15Å; S3187-S3191 PolarHBondContact O-OG 3.17Å; F3188-S3191 PolarHBondContact O-N 3.32Å; S3191-S3195 VanDerWaalsContact O-CB 3.29Å; S3191-S3195 WeakPolarHBondContact O-CB 3.27Å; S3191-S3195 PolarHBondContact O-N 3.17Å |
| 3192 | A | 37.9 | Very low | 34.9 | Very low | 46 Ų | 46 | 107 Ų | 107 | 38% | 0.38 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.2 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F3188 A3189 V3190 S3195 C3196 | F3188-A3192 VanDerWaalsContact O-CB 3.31Å; F3188-A3192 WeakPolarHBondContact O-CB 3.4Å; F3188-A3192 PolarHBondContact O-N 2.84Å; A3189-A3192 PolarHBondContact O-N 3.27Å; V3190-A3192 VanDerWaalsContact C-N 3.34Å; V3190-A3192 PolarHBondContact O-N 3.35Å; A3192-S3195 PolarHBondContact O-N 3.44Å; A3192-C3196 WeakPolarHBondContact O-CB 3.37Å; A3192-C3196 PolarHBondContact O-N 3.13Å; A3192-C3196 PolarHBondContact O-SG 3.3Å |
| 3193 | L | 32.7 | Very low | 34.5 | Very low | 121.5 Ų | 121.5 | 108.4 Ų | 108.4 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.5 | -40.2 | 176.8 | -147.1 | 88.9 | 0 | 0 | 0 | 111 | A3189 V3190 S3195 C3196 V3197 | A3189-L3193 VanDerWaalsContact O-CB 3.31Å; A3189-L3193 WeakPolarHBondContact O-CB 3.22Å; A3189-L3193 PolarHBondContact O-N 3.3Å; V3190-L3193 PolarHBondContact O-N 2.97Å; L3193-S3195 VanDerWaalsContact C-N 3.3Å; L3193-S3195 PolarHBondContact O-N 3.42Å; L3193-C3196 PolarHBondContact O-N 3.32Å; L3193-V3197 WeakPolarHBondContact O-CB 3.26Å; L3193-V3197 VanDerWaalsContact O-CG2 3.28Å; L3193-V3197 WeakPolarHBondContact O-CG2 3.42Å; L3193-V3197 PolarHBondContact O-N 2.81Å |
| 3194 | E | 36 | Very low | 33.7 | Very low | 100 Ų | 100 | 107.4 Ų | 107.4 | 47% | 0.467 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.4 | -34.6 | 173.1 | -78 | -171.5 | -174.1 | 0 | 0 | 111.9 | V3190 R3198 | V3190-E3194 HydrophobicContact CG1-CG 4.29Å; V3190-E3194 VanDerWaalsContact O-CB 3.27Å; V3190-E3194 WeakPolarHBondContact O-CB 3.29Å; V3190-E3194 WeakPolarHBondContact O-CG 3.36Å; V3190-E3194 PolarHBondContact O-N 3.28Å; E3194-R3198 WeakPolarHBondContact O-CB 3.4Å; E3194-R3198 WeakPolarHBondContact O-CG 3.27Å; E3194-R3198 PolarHBondContact O-N 3.16Å; E3194-R3198 VanDerWaalsContact O-N 3.17Å; E3194-R3198 IonicContact OE2-CZ 3.08Å; E3194-R3198 IonicContact OE2-NH2 2.92Å; E3194-R3198 PolarHBondContact OE2-NH2 3.28Å |
| 3195 | S | 36.2 | Very low | 32.9 | Very low | 85 Ų | 85 | 105.4 Ų | 105.4 | 59% | 0.594 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.2 | -42.7 | 171 | 172.6 | 0 | 0 | 0 | 0 | 112 | S3191 A3192 L3193 G3199 | S3191-S3195 VanDerWaalsContact O-CB 3.29Å; S3191-S3195 WeakPolarHBondContact O-CB 3.27Å; S3191-S3195 PolarHBondContact O-N 3.17Å; A3192-S3195 PolarHBondContact O-N 3.44Å; L3193-S3195 VanDerWaalsContact C-N 3.3Å; L3193-S3195 PolarHBondContact O-N 3.42Å; S3195-G3199 PolarHBondContact O-N 3.15Å |
| 3196 | C | 34.5 | Very low | 32.3 | Very low | 83 Ų | 83 | 109.3 Ų | 109.3 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.3 | -30.6 | 178.6 | -76.2 | 0 | 0 | 0 | 0 | 113.7 | A3192 L3193 | A3192-C3196 WeakPolarHBondContact O-CB 3.37Å; A3192-C3196 PolarHBondContact O-N 3.13Å; A3192-C3196 PolarHBondContact O-SG 3.3Å; L3193-C3196 PolarHBondContact O-N 3.32Å |
| 3197 | V | 36.4 | Very low | 31.8 | Very low | 101 Ų | 101 | 110.2 Ų | 110.2 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.7 | -35.2 | 177.8 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | L3193 G3199 R3200 | L3193-V3197 WeakPolarHBondContact O-CB 3.26Å; L3193-V3197 VanDerWaalsContact O-CG2 3.28Å; L3193-V3197 WeakPolarHBondContact O-CG2 3.42Å; L3193-V3197 PolarHBondContact O-N 2.81Å; V3197-G3199 VanDerWaalsContact C-N 3.26Å; V3197-G3199 PolarHBondContact O-N 3.06Å; V3197-R3200 PolarHBondContact O-N 3.14Å |
| 3198 | R | 32.8 | Very low | 31.3 | Very low | 192.5 Ų | 192.5 | 115.2 Ų | 115.2 | 73% | 0.726 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.9 | -19 | 173.6 | -74.5 | -174.2 | -147.9 | -147.5 | 5.4 | 114.1 | E3194 R3200 | E3194-R3198 WeakPolarHBondContact O-CB 3.4Å; E3194-R3198 WeakPolarHBondContact O-CG 3.27Å; E3194-R3198 PolarHBondContact O-N 3.16Å; E3194-R3198 VanDerWaalsContact O-N 3.17Å; E3194-R3198 IonicContact OE2-CZ 3.08Å; E3194-R3198 IonicContact OE2-NH2 2.92Å; E3194-R3198 PolarHBondContact OE2-NH2 3.28Å; R3198-R3200 VanDerWaalsContact C-N 3.28Å; R3198-R3200 PolarHBondContact O-N 3.48Å |
| 3199 | G | 31.7 | Very low | 30.7 | Very low | 60 Ų | 60 | 116.7 Ų | 116.7 | 62% | 0.619 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -7.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | S3195 V3197 | S3195-G3199 PolarHBondContact O-N 3.15Å; V3197-G3199 VanDerWaalsContact C-N 3.26Å; V3197-G3199 PolarHBondContact O-N 3.06Å |
| 3200 | R | 28.1 | Very low | 30.1 | Very low | 222 Ų | 222 | 117.5 Ų | 117.5 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 16 | -172.4 | -72.2 | -169.6 | -167.5 | 171.2 | 5.3 | 115.9 | V3197 R3198 | V3197-R3200 PolarHBondContact O-N 3.14Å; R3198-R3200 VanDerWaalsContact C-N 3.28Å; R3198-R3200 PolarHBondContact O-N 3.48Å |
| 3201 | T | 27.9 | Very low | 29.5 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -127.3 | 58.2 | 165.3 | 58.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 3202 | A | 25.7 | Very low | 28.6 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | trans | -154.7 | 83.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3203 | S | 25.9 | Very low | 28 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 164.6 | 95.7 | 151.5 | -77 | 0 | 0 | 0 | 0 | 109.6 | ||
| 3204 | T | 25 | Very low | 27.5 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 91% | 0.914 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 153.8 | 84.7 | 138.8 | 46.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 3205 | S | 24.4 | Very low | 26.9 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -176.9 | 95.8 | 145.1 | 177.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 3206 | M | 23.1 | Very low | 26.2 | Very low | 162 Ų | 162 | 138 Ų | 138 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -69.8 | 132.9 | 168.2 | -74.4 | -147.9 | 68.7 | 0 | 0 | 109.8 | ||||
| 3207 | T | 22.9 | Very low | 25.6 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | trans | 54.6 | 103.6 | 145.1 | 56.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 3208 | L | 27.6 | Very low | 24.9 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | -161.8 | 105.9 | 118.9 | -102.1 | 150.4 | 0 | 0 | 0 | 108.1 | |||||
| 3209 | E | 22.6 | Very low | 24.5 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -68.5 | 143.9 | 176.2 | -62.8 | 173.3 | 150 | 0 | 0 | 110.4 | ||||
| 3210 | G | 23.4 | Very low | 24 | Very low | 70 Ų | 70 | 142.8 Ų | 142.8 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | 164.5 | 78.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 3211 | Q | 24.6 | Very low | 23.8 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | 76.9 | 100.5 | 145 | -69.7 | 178.8 | -18.5 | 0 | 0 | 120.6 | ||||
| 3212 | E | 21.8 | Very low | 23.6 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 95% | 0.949 | 84% | 0.837 | S | S | * | * | trans | -22.8 | 134.3 | 143.5 | -59.8 | 175.6 | 154.5 | 0 | 0 | 116.7 | ||||
| 3213 | G | 24.6 | Very low | 23.5 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 84% | 0.84 | S | S | * | * | trans | -165.2 | 92.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 3214 | S | 22.9 | Very low | 23.5 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | trans | -55.1 | 134.3 | 173.1 | 57.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 3215 | C | 21.8 | Very low | 23.5 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 90% | 0.899 | 84% | 0.841 | S | S | * | * | trans | -159.7 | 122.7 | 145.9 | -94.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3216 | Q | 21.9 | Very low | 23.3 | Very low | 203 Ų | 203 | 148.1 Ų | 148.1 | 95% | 0.949 | 84% | 0.842 | S | S | * | * | trans | -64.6 | 141.4 | 166.2 | -68.2 | 160.2 | -39.4 | 0 | 0 | 109.9 | ||||
| 3217 | G | 22.8 | Very low | 23.4 | Very low | 66 Ų | 66 | 146.6 Ų | 146.6 | 68% | 0.68 | 84% | 0.841 | S | S | * | * | trans | 165.4 | 98 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3218 | H | 22.2 | Very low | 23.4 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 91% | 0.907 | 85% | 0.847 | S | S | * | * | trans | 66.9 | 127.9 | 145.7 | -74 | -74.4 | 0 | 0 | 0 | 122.3 | ||||
| 3219 | A | 22.9 | Very low | 23.2 | Very low | 96 Ų | 96 | 145.7 Ų | 145.7 | 79% | 0.793 | 84% | 0.84 | S | S | * | * | trans | -63.2 | 127.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3220 | E | 22.2 | Very low | 23.3 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 84% | 0.836 | 84% | 0.838 | S | S | * | * | trans | -137.4 | 128.8 | 150.6 | -75.2 | -167.6 | 159.7 | 0 | 0 | 110.7 | H3222 | E3220-H3222 PolarHBondContact O-N 2.95Š| ||
| 3221 | S | 23.3 | Very low | 23.3 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 87% | 0.867 | 84% | 0.843 | S | S | * | * | trans | -24.6 | 109.3 | 171.7 | -56 | 0 | 0 | 0 | 0 | 116.8 | S3223 | S3221-S3223 PolarHBondContact O-N 3.1Å; S3221-S3223 VanDerWaalsContact O-N 3.12Å | ||
| 3222 | H | 24.6 | Very low | 23.3 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 89% | 0.894 | 84% | 0.838 | S | S | * | * | trans | -74.3 | 100.5 | 165.2 | -75.4 | -71.4 | 0 | 0 | 0 | 110.4 | E3220 L3224 | E3220-H3222 PolarHBondContact O-N 2.95Å; H3222-L3224 PolarHBondContact O-N 2.82Å | ||
| 3223 | S | 23.5 | Very low | 23.4 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | trans | -57.6 | 130.5 | 164.9 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | S3221 T3225 | S3221-S3223 PolarHBondContact O-N 3.1Å; S3221-S3223 VanDerWaalsContact O-N 3.12Å; S3223-T3225 PolarHBondContact O-N 2.91Å | ||
| 3224 | L | 25.2 | Very low | 23.4 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -37 | 120.7 | 173.7 | -72 | 147.3 | 0 | 0 | 0 | 112.8 | H3222 K3226 | H3222-L3224 PolarHBondContact O-N 2.82Å; L3224-K3226 PolarHBondContact O-N 2.95Å; L3224-K3226 VanDerWaalsContact O-N 3.1Å | ||
| 3225 | T | 24.2 | Very low | 23.4 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 84% | 0.84 | 84% | 0.839 | S | S | * | * | trans | -57.8 | 108.8 | 175 | 19.7 | 0 | 0 | 0 | 0 | 110.6 | S3223 V3227 | S3223-T3225 PolarHBondContact O-N 2.91Å; T3225-V3227 PolarHBondContact O-N 2.81Å; T3225-V3227 VanDerWaalsContact O-N 3.12Å | ||
| 3226 | K | 22.1 | Very low | 23.4 | Very low | 197 Ų | 197 | 153.2 Ų | 153.2 | 86% | 0.857 | 83% | 0.832 | S | S | * | * | trans | -55.1 | 106 | 171.4 | -164.9 | 175.8 | -175 | 178.6 | 0 | 109.6 | L3224 S3228 | L3224-K3226 PolarHBondContact O-N 2.95Å; L3224-K3226 VanDerWaalsContact O-N 3.1Å; K3226-S3228 PolarHBondContact O-N 3.14Å | ||
| 3227 | V | 23.9 | Very low | 23.6 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 79% | 0.788 | 83% | 0.825 | S | S | * | * | trans | -68.1 | 115.8 | 169.2 | 176.3 | 0 | 0 | 0 | 0 | 107.6 | T3225 I3229 | T3225-V3227 PolarHBondContact O-N 2.81Å; T3225-V3227 VanDerWaalsContact O-N 3.12Å; V3227-I3229 PolarHBondContact O-N 3.36Å; V3227-I3229 VanDerWaalsContact O-N 3.15Å | ||
| 3228 | S | 22.3 | Very low | 23.6 | Very low | 111 Ų | 111 | 155.4 Ų | 155.4 | 78% | 0.776 | 84% | 0.84 | S | S | * | * | trans | -62.9 | 110.6 | -179.3 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | K3226 M3230 | K3226-S3228 PolarHBondContact O-N 3.14Å; S3228-M3230 PolarHBondContact O-N 3.28Å | ||
| 3229 | I | 25.1 | Very low | 23.6 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 80% | 0.795 | 83% | 0.83 | S | S | * | * | trans | -67.1 | 109.3 | 169.4 | -62.1 | 168 | 0 | 0 | 0 | 107.3 | V3227 N3231 | V3227-I3229 PolarHBondContact O-N 3.36Å; V3227-I3229 VanDerWaalsContact O-N 3.15Å; I3229-N3231 PolarHBondContact O-N 3.33Å; I3229-N3231 VanDerWaalsContact O-N 3.17Å | ||
| 3230 | M | 23.5 | Very low | 23.7 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -65.6 | 108.8 | 170.5 | -101.7 | 178 | 152.3 | 0 | 0 | 109.1 | S3228 S3232 | S3228-M3230 PolarHBondContact O-N 3.28Å; M3230-S3232 PolarHBondContact O-N 3.4Å; M3230-S3232 VanDerWaalsContact O-N 3.17Å | ||
| 3231 | N | 23.7 | Very low | 23.8 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -56.9 | 109.9 | 166.1 | -85.6 | -14.7 | 0 | 0 | 0 | 109.9 | I3229 | I3229-N3231 PolarHBondContact O-N 3.33Å; I3229-N3231 VanDerWaalsContact O-N 3.17Å | ||
| 3232 | S | 25.2 | Very low | 23.8 | Very low | 115 Ų | 115 | 153.4 Ų | 153.4 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -107.3 | 67 | 171.4 | 45.8 | 0 | 0 | 0 | 0 | 110.3 | M3230 K3234 | M3230-S3232 PolarHBondContact O-N 3.4Å; M3230-S3232 VanDerWaalsContact O-N 3.17Å; S3232-K3234 PolarHBondContact O-N 2.68Å | ||
| 3233 | N | 23.1 | Very low | 23.9 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 81% | 0.807 | 83% | 0.826 | S | S | * | * | trans | -79.6 | 97 | 158.9 | -78.6 | -3.7 | 0 | 0 | 0 | 107.8 | ||||
| 3234 | K | 25.3 | Very low | 23.9 | Very low | 189 Ų | 189 | 156.6 Ų | 156.6 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | 177.8 | 85.7 | 152.9 | -99.3 | 166.3 | -172.4 | -173.2 | 0 | 108.8 | S3232 Q3236 | S3232-K3234 PolarHBondContact O-N 2.68Å; K3234-Q3236 PolarHBondContact O-N 3.17Å | ||
| 3235 | E | 22.5 | Very low | 24 | Very low | 202 Ų | 202 | 153 Ų | 153 | 94% | 0.944 | 83% | 0.828 | S | S | * | * | trans | -66.4 | 95.1 | 159.7 | -68.2 | -177.2 | 155.9 | 0 | 0 | 108.4 | ||||
| 3236 | Q | 23.1 | Very low | 24.1 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 76% | 0.757 | 83% | 0.826 | S | S | * | * | trans | -134.7 | 107.5 | 163.4 | -76.3 | -169.1 | -15.9 | 0 | 0 | 108.9 | K3234 | K3234-Q3236 PolarHBondContact O-N 3.17Š| ||
| 3237 | H | 24.2 | Very low | 24.2 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | trans | 41.9 | 108.2 | 155.8 | -65.7 | -79.9 | 0 | 0 | 0 | 117.7 | S3239 | H3237-S3239 PolarHBondContact O-N 3.01Š| ||
| 3238 | S | 23.8 | Very low | 24.3 | Very low | 140 Ų | 140 | 153.9 Ų | 153.9 | 98% | 0.979 | 83% | 0.833 | S | S | * | * | trans | -33.1 | 93.2 | 160.2 | -80.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 3239 | S | 22.3 | Very low | 24.5 | Very low | 101 Ų | 101 | 158.4 Ų | 158.4 | 71% | 0.706 | 84% | 0.838 | S | S | * | * | trans | -109 | 99.1 | 161.4 | 44.3 | 0 | 0 | 0 | 0 | 106.4 | H3237 Y3241 | H3237-S3239 PolarHBondContact O-N 3.01Å; S3239-Y3241 PolarHBondContact O-N 3.14Å | ||
| 3240 | S | 24.1 | Very low | 24.4 | Very low | 111 Ų | 111 | 160.3 Ų | 160.3 | 78% | 0.776 | 84% | 0.844 | S | S | * | * | trans | -21.5 | 116.1 | 166.2 | 44.3 | 0 | 0 | 0 | 0 | 114.1 | S3242 | S3240-S3242 PolarHBondContact O-N 3.41Š| ||
| 3241 | Y | 24.6 | Very low | 24.5 | Very low | 228 Ų | 228 | 161 Ų | 161 | 89% | 0.894 | 85% | 0.845 | S | S | * | * | trans | -55.2 | 99.3 | 170.3 | -66.8 | -90.5 | 0 | 0 | 0 | 110.9 | S3239 L3243 | S3239-Y3241 PolarHBondContact O-N 3.14Å; Y3241-L3243 PolarHBondContact O-N 2.61Å | ||
| 3242 | S | 23 | Very low | 24.5 | Very low | 113 Ų | 113 | 162.9 Ų | 162.9 | 79% | 0.79 | 85% | 0.849 | S | S | * | * | trans | -82.8 | 96.1 | 167.9 | 59.5 | 0 | 0 | 0 | 0 | 109 | S3240 | S3240-S3242 PolarHBondContact O-N 3.41Š| ||
| 3243 | L | 26.7 | Very low | 24.6 | Very low | 160 Ų | 160 | 162.6 Ų | 162.6 | 84% | 0.838 | 85% | 0.854 | S | S | * | * | trans | -68 | 130.9 | 167.8 | -80.7 | 162.3 | 0 | 0 | 0 | 109.6 | Y3241 A3245 | Y3241-L3243 PolarHBondContact O-N 2.61Å; L3243-A3245 PolarHBondContact O-N 3.47Å | ||
| 3244 | F | 24.8 | Very low | 24.7 | Very low | 209 Ų | 209 | 158.9 Ų | 158.9 | 92% | 0.917 | 85% | 0.851 | S | S | * | * | trans | -45.9 | 99.6 | -174.7 | -66.7 | -93.9 | 0 | 0 | 0 | 114.6 | S3246 | F3244-S3246 PolarHBondContact O-N 2.97Š| ||
| 3245 | A | 26.3 | Very low | 24.7 | Very low | 95 Ų | 95 | 153.2 Ų | 153.2 | 79% | 0.785 | 85% | 0.847 | S | S | * | * | trans | -81.4 | 98.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | L3243 S3247 | L3243-A3245 PolarHBondContact O-N 3.47Å; A3245-S3247 PolarHBondContact O-N 3.06Å | ||
| 3246 | S | 27.3 | Very low | 24.9 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -64.2 | 119.8 | 173.2 | 74.7 | 0 | 0 | 0 | 0 | 109.9 | F3244 R3248 | F3244-S3246 PolarHBondContact O-N 2.97Å; S3246-R3248 PolarHBondContact O-N 3.25Å | ||
| 3247 | S | 23.6 | Very low | 25.1 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | trans | -54.6 | 112.8 | 179.4 | -56.1 | 0 | 0 | 0 | 0 | 113 | A3245 | A3245-S3247 PolarHBondContact O-N 3.06Š| ||
| 3248 | R | 27 | Very low | 25.4 | Very low | 245 Ų | 245 | 152.1 Ų | 152.1 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | trans | -130.8 | 132.6 | 156.2 | -119.6 | 178.8 | -177.5 | -179.1 | 0.7 | 109.9 | S3246 | S3246-R3248 PolarHBondContact O-N 3.25Š| ||
| 3249 | K | 26.3 | Very low | 25.6 | Very low | 205 Ų | 205 | 154 Ų | 154 | 89% | 0.891 | 84% | 0.835 | S | S | * | * | trans | -46.9 | 141.3 | -164.7 | -74.8 | 171.4 | 170.6 | 179.3 | 0 | 115.1 | Q3251 | K3249-Q3251 PolarHBondContact O-N 3.47Š| ||
| 3250 | Q | 21.9 | Very low | 26.3 | Very low | 195 Ų | 195 | 154.3 Ų | 154.3 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -37 | 120.3 | 165.8 | -72.2 | 163.8 | -32.6 | 0 | 0 | 113.3 | ||||
| 3251 | Q | 25.4 | Very low | 27.1 | Very low | 195 Ų | 195 | 155.1 Ų | 155.1 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -141.4 | 127 | 144.6 | -123.3 | 170.6 | -0.3 | 0 | 0 | 107.1 | K3249 | K3249-Q3251 PolarHBondContact O-N 3.47Š| ||
| 3252 | E | 23.6 | Very low | 28.2 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -69.9 | 155.6 | -164.9 | -65.9 | 168 | 145.4 | 0 | 0 | 113.3 | ||||
| 3253 | A | 28 | Very low | 29.6 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | 72.2 | 70.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3254 | G | 24.4 | Very low | 30.7 | Very low | 72 Ų | 72 | 148.4 Ų | 148.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -130.1 | 116.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3255 | G | 25.9 | Very low | 31.8 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | -61.9 | 147.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I3257 | G3255-I3257 PolarHBondContact O-N 3.41Š| ||
| 3256 | D | 26.2 | Very low | 32.8 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -56.8 | 94.4 | -179.7 | -71.1 | -38.1 | 0 | 0 | 0 | 111.4 | Y3258 | D3256-Y3258 PolarHBondContact O-N 3.44Š| ||
| 3257 | I | 27 | Very low | 33.8 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 80% | 0.795 | 76% | 0.758 | S | S | * | * | trans | -78 | 104.4 | 164.7 | -62.2 | 172.4 | 0 | 0 | 0 | 105.8 | G3255 E3259 | G3255-I3257 PolarHBondContact O-N 3.41Å; I3257-E3259 PolarHBondContact O-N 2.93Å | ||
| 3258 | Y | 30.3 | Very low | 35 | Very low | 212 Ų | 212 | 143.1 Ų | 143.1 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | trans | -61.4 | 100.2 | 168.5 | -70.7 | -85.6 | 0 | 0 | 0 | 108.9 | D3256 H3260 | D3256-Y3258 PolarHBondContact O-N 3.44Å; Y3258-H3260 PolarHBondContact O-N 3.41Å; Y3258-H3260 VanDerWaalsContact O-N 3.16Å | ||
| 3259 | E | 28.9 | Very low | 36 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | trans | -63.6 | 111.8 | 168.7 | -97 | -174.4 | 159.1 | 0 | 0 | 108.9 | I3257 V3261 | I3257-E3259 PolarHBondContact O-N 2.93Å; E3259-V3261 PolarHBondContact O-N 2.89Å; E3259-V3261 VanDerWaalsContact O-N 3.1Å | ||
| 3260 | H | 37.6 | Very low | 37.2 | Very low | 108 Ų | 108 | 133 Ų | 133 | 50% | 0.5 | 70% | 0.701 | S | S | . | * | trans | -67 | 106.7 | 179.1 | -149.2 | -70.5 | 0 | 0 | 0 | 109.7 | S2993 D2997 Y3258 S3262 | S2993-H3260 WeakPolarHBondContact CB-NE2 3.36Å; S2993-H3260 PolarHBondContact OG-NE2 3.26Å; D2997-H3260 IonicContact OD2-CE1 3.49Å; D2997-H3260 PolarHBondContact OD2-CE1 2.82Å; D2997-H3260 VanDerWaalsContact OD2-CE1 3.28Å; D2997-H3260 IonicContact OD2-ND1 2.77Å; Y3258-H3260 PolarHBondContact O-N 3.41Å; Y3258-H3260 VanDerWaalsContact O-N 3.16Å; H3260-S3262 PolarHBondContact O-N 2.66Å; H3260-S3262 VanDerWaalsContact O-N 3.1Å | ||
| 3261 | V | 40.6 | Very low | 38.2 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 78% | 0.782 | 70% | 0.699 | S | S | * | * | trans | -71.6 | 103.4 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 108 | E3259 L3263 | E3259-V3261 PolarHBondContact O-N 2.89Å; E3259-V3261 VanDerWaalsContact O-N 3.1Å; V3261-L3263 PolarHBondContact O-N 2.87Å | ||
| 3262 | S | 48.2 | Very low | 39.3 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 49% | 0.49 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 123.6 | 173.2 | 175 | 0 | 0 | 0 | 0 | 110.2 | H3260 R3264 | H3260-S3262 PolarHBondContact O-N 2.66Å; H3260-S3262 VanDerWaalsContact O-N 3.1Å; S3262-R3264 PolarHBondContact O-N 3.01Å |
| 3263 | L | 51.8 | Low | 40.6 | Very low | 63 Ų | 63 | 125 Ų | 125 | 33% | 0.33 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 136.1 | 169.3 | -84.5 | 138.2 | 0 | 0 | 0 | 109.9 | I2888 D2997 V3261 | I2888-L3263 HydrophobicContact CG2-CD1 4.45Å; D2997-L3263 HydrophobicContact CB-CD1 3.78Å; V3261-L3263 PolarHBondContact O-N 2.87Å |
| 3264 | R | 48.8 | Very low | 42.1 | Very low | 226 Ų | 226 | 122.2 Ų | 122.2 | 85% | 0.853 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -78 | 138.1 | 169.9 | -71.3 | -171.1 | 179 | -179.2 | 1.3 | 108.4 | S3262 E3266 | S3262-R3264 PolarHBondContact O-N 3.01Å; R3264-E3266 PolarHBondContact O-N 3.12Å |
| 3265 | P | 48.1 | Very low | 44 | Very low | 88 Ų | 88 | 120 Ų | 120 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.5 | 176 | 23 | -31 | 0 | 0 | 0 | 110 | Q3267 | P3265-Q3267 PolarHBondContact O-N 2.74Š|
| 3266 | E | 48.9 | Very low | 45.8 | Very low | 90 Ų | 90 | 124 Ų | 124 | 42% | 0.421 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -74.8 | 124 | 178.1 | -155.7 | -178.8 | 169.9 | 0 | 0 | 109.2 | Y3001 R3264 V3268 | Y3001-E3266 HydrophobicContact CE2-CB 4.46Å; Y3001-E3266 WeakPolarHBondContact CE2-OE2 3.37Å; Y3001-E3266 PolarHBondContact OH-OE2 2.64Å; R3264-E3266 PolarHBondContact O-N 3.12Å; E3266-V3268 VanDerWaalsContact C-N 3.32Å; E3266-V3268 HydrophobicContact CB-CG2 4.08Å; E3266-V3268 VanDerWaalsContact CD-CG2 3.49Å; E3266-V3268 HydrophobicContact CG-CG2 3.56Å; E3266-V3268 PolarHBondContact O-N 2.85Å |
| 3267 | Q | 47.2 | Very low | 47.7 | Very low | 198 Ų | 198 | 119.7 Ų | 119.7 | 93% | 0.925 | 60% | 0.598 | S | S | * | * | trans | -81.7 | 78.9 | 174.7 | -75.9 | -174.6 | -19.3 | 0 | 0 | 109.6 | P3265 | P3265-Q3267 PolarHBondContact O-N 2.74Š| ||
| 3268 | V | 49.6 | Very low | 49.6 | Very low | 57 Ų | 57 | 113.7 Ų | 113.7 | 35% | 0.345 | 57% | 0.565 | S | S | . | * | trans | -106 | 118.1 | 174.8 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | E3266 Y3270 | E3266-V3268 VanDerWaalsContact C-N 3.32Å; E3266-V3268 HydrophobicContact CB-CG2 4.08Å; E3266-V3268 VanDerWaalsContact CD-CG2 3.49Å; E3266-V3268 HydrophobicContact CG-CG2 3.56Å; E3266-V3268 PolarHBondContact O-N 2.85Å; V3268-Y3270 HydrophobicContact CB-CD2 4.26Å; V3268-Y3270 HydrophobicContact CB-CE2 3.72Å; V3268-Y3270 HydrophobicContact CG1-CD1 4.25Å; V3268-Y3270 HydrophobicContact CG1-CD2 4.15Å; V3268-Y3270 HydrophobicContact CG1-CE1 3.94Å; V3268-Y3270 HydrophobicContact CG1-CE2 3.83Å; V3268-Y3270 HydrophobicContact CG1-CG 4.35Å; V3268-Y3270 WeakPolarHBondContact O-CD2 3.02Å; V3268-Y3270 PolarHBondContact O-N 3.04Å | ||
| 3269 | N | 47.2 | Very low | 51.6 | Low | 153 Ų | 153 | 105.2 Ų | 105.2 | 82% | 0.818 | 54% | 0.535 | S | S | * | . | trans | -82.8 | 96.4 | 170.5 | -75.7 | -20 | 0 | 0 | 0 | 109.5 | L3271 | N3269-L3271 PolarHBondContact O-N 3.41Š| ||
| 3270 | Y | 50.8 | Low | 53.8 | Low | 84 Ų | 84 | 100.7 Ų | 100.7 | 33% | 0.329 | 51% | 0.514 | S | S | . | . | trans | -73.9 | 89.9 | 175.5 | -65.9 | -83.5 | 0 | 0 | 0 | 110.9 | C3004 V3268 T3272 | C3004-Y3270 HydrophobicContact CB-CD2 3.76Å; C3004-Y3270 HydrophobicContact CB-CE2 3.92Å; C3004-Y3270 HydrophobicContact CB-CG 4.32Å; V3268-Y3270 HydrophobicContact CB-CD2 4.26Å; V3268-Y3270 HydrophobicContact CB-CE2 3.72Å; V3268-Y3270 HydrophobicContact CG1-CD1 4.25Å; V3268-Y3270 HydrophobicContact CG1-CD2 4.15Å; V3268-Y3270 HydrophobicContact CG1-CE1 3.94Å; V3268-Y3270 HydrophobicContact CG1-CE2 3.83Å; V3268-Y3270 HydrophobicContact CG1-CG 4.35Å; V3268-Y3270 WeakPolarHBondContact O-CD2 3.02Å; V3268-Y3270 PolarHBondContact O-N 3.04Å; Y3270-T3272 PolarHBondContact O-N 3.23Å | ||
| 3271 | L | 43.4 | Very low | 55.7 | Low | 167 Ų | 167 | 95.8 Ų | 95.8 | 87% | 0.874 | 49% | 0.492 | S | S | * | . | trans | -81.2 | 84 | 168.9 | -68.6 | 169.9 | 0 | 0 | 0 | 109 | N3269 | N3269-L3271 PolarHBondContact O-N 3.41Š| ||
| 3272 | T | 49.1 | Very low | 57.6 | Low | 82 Ų | 82 | 91 Ų | 91 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | trans | -136.1 | 135.7 | 178.2 | 38.4 | 0 | 0 | 0 | 0 | 112.5 | Y3270 I3274 | Y3270-T3272 PolarHBondContact O-N 3.23Å; T3272-I3274 PolarHBondContact O-N 2.82Å | ||
| 3273 | F | 51.6 | Low | 59.2 | Low | 163 Ų | 163 | 92.7 Ų | 92.7 | 72% | 0.715 | 46% | 0.459 | S | S | * | . | trans | -71.6 | 108.9 | 163.8 | 179.6 | -96.6 | 0 | 0 | 0 | 107.7 | P3275 | F3273-P3275 WeakPolarHBondContact O-CD 3.26Š| ||
| 3274 | I | 59.2 | Low | 60.7 | Low | 52 Ų | 52 | 92.5 Ų | 92.5 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | trans | -84.2 | 116.1 | 174 | -57.9 | 172.6 | 0 | 0 | 0 | 106.7 | L3007 T3272 E3276 | L3007-I3274 HydrophobicContact CD1-CG1 4.45Å; L3007-I3274 HydrophobicContact CD1-CG2 4.49Å; T3272-I3274 PolarHBondContact O-N 2.82Å; I3274-E3276 PolarHBondContact O-N 2.88Å | ||
| 3275 | P | 63.7 | Low | 62.5 | Low | 25 Ų | 25 | 81.8 Ų | 81.8 | 16% | 0.162 | 42% | 0.418 | C | S | . | . | trans | -59.2 | 138.7 | 178.8 | -18.5 | 29 | 0 | 0 | 0 | 110.5 | F3273 A3277 Y3278 T3279 | F3273-P3275 WeakPolarHBondContact O-CD 3.26Å; P3275-A3277 PolarHBondContact O-N 3.2Å; P3275-Y3278 HydrophobicContact CB-CD2 4.03Å; P3275-Y3278 HydrophobicContact CG-CD2 3.95Å; P3275-Y3278 HydrophobicContact CG-CE2 4.3Å; P3275-Y3278 WeakPolarHBondContact O-CB 3.3Å; P3275-Y3278 PolarHBondContact O-N 2.92Å; P3275-T3279 PolarHBondContact O-N 2.91Å | ||
| 3276 | E | 63.9 | Low | 64.3 | Low | 155 Ų | 155 | 79.1 Ų | 79.1 | 72% | 0.724 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -51.4 | -38.1 | -174.5 | -70.9 | -179.5 | 168.1 | 0 | 0 | 113.2 | I3274 Y3278 T3279 E3280 | I3274-E3276 PolarHBondContact O-N 2.88Å; E3276-Y3278 VanDerWaalsContact C-N 3.25Å; E3276-Y3278 PolarHBondContact O-N 2.89Å; E3276-T3279 WeakPolarHBondContact O-CB 3.41Å; E3276-T3279 PolarHBondContact O-N 3.02Å; E3276-E3280 WeakPolarHBondContact O-CG 3.08Å; E3276-E3280 PolarHBondContact O-N 3.48Å |
| 3277 | A | 66.1 | Low | 66 | Low | 58 Ų | 58 | 79.7 Ų | 79.7 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.4 | -34.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P3275 M3281 | P3275-A3277 PolarHBondContact O-N 3.2Å; A3277-M3281 WeakPolarHBondContact O-CB 3.4Å; A3277-M3281 PolarHBondContact O-N 3.48Å; A3277-M3281 VanDerWaalsContact O-N 3.12Å |
| 3278 | Y | 67.6 | Low | 67.9 | Low | 29 Ų | 29 | 74.5 Ų | 74.5 | 11% | 0.114 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73.5 | -38.5 | 175.8 | -77.8 | -88.4 | 0 | 0 | 0 | 111.6 | R3135 P3275 E3276 M3281 Q3282 | R3135-Y3278 VanDerWaalsContact NH1-CE1 3.29Å; R3135-Y3278 VanDerWaalsContact NH1-CZ 3.32Å; R3135-Y3278 PolarHBondContact NH1-OH 3.49Å; P3275-Y3278 HydrophobicContact CB-CD2 4.03Å; P3275-Y3278 HydrophobicContact CG-CD2 3.95Å; P3275-Y3278 HydrophobicContact CG-CE2 4.3Å; P3275-Y3278 WeakPolarHBondContact O-CB 3.3Å; P3275-Y3278 PolarHBondContact O-N 2.92Å; E3276-Y3278 VanDerWaalsContact C-N 3.25Å; E3276-Y3278 PolarHBondContact O-N 2.89Å; Y3278-M3281 PolarHBondContact O-N 3.16Å; Y3278-Q3282 VanDerWaalsContact O-CB 3.31Å; Y3278-Q3282 WeakPolarHBondContact O-CB 3.42Å; Y3278-Q3282 PolarHBondContact O-N 3.11Å |
| 3279 | T | 71.8 | Confident | 69.6 | Low | 33 Ų | 33 | 71.9 Ų | 71.9 | 20% | 0.202 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65 | -42.9 | 177.1 | -50.8 | 0 | 0 | 0 | 0 | 111 | P3275 E3276 Q3282 K3283 | P3275-T3279 PolarHBondContact O-N 2.91Å; E3276-T3279 WeakPolarHBondContact O-CB 3.41Å; E3276-T3279 PolarHBondContact O-N 3.02Å; T3279-Q3282 PolarHBondContact O-N 2.79Å; T3279-K3283 WeakPolarHBondContact O-CG 3.19Å; T3279-K3283 PolarHBondContact O-N 2.86Å |
| 3280 | E | 74.3 | Confident | 71.5 | Confident | 84 Ų | 84 | 66.7 Ų | 66.7 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 176 | -69.9 | -53.3 | 119.9 | 0 | 0 | 111.9 | E3276 Q3282 K3283 L3284 | E3276-E3280 WeakPolarHBondContact O-CG 3.08Å; E3276-E3280 PolarHBondContact O-N 3.48Å; E3280-Q3282 VanDerWaalsContact C-N 3.31Å; E3280-Q3282 PolarHBondContact O-N 2.92Å; E3280-K3283 PolarHBondContact O-N 3.14Å; E3280-K3283 IonicContact OE1-NZ 2.72Å; E3280-K3283 PolarHBondContact OE1-NZ 2.82Å; E3280-L3284 WeakPolarHBondContact O-CG 3.4Å; E3280-L3284 PolarHBondContact O-N 3.38Å |
| 3281 | M | 77.3 | Confident | 73.2 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 173.9 | -175.6 | 177.1 | -73.9 | 0 | 0 | 112.2 | Y3012 L3075 Y3091 A3277 Y3278 L3284 L3285 | Y3012-M3281 HydrophobicContact CE2-CG 4.49Å; Y3012-M3281 HydrophobicContact CE2-SD 4.05Å; Y3012-M3281 PolarHBondContact OH-SD 3.37Å; L3075-M3281 HydrophobicContact CD1-CE 3.62Å; L3075-M3281 HydrophobicContact CD2-CE 4.5Å; L3075-M3281 HydrophobicContact CG-CE 4.41Å; Y3091-M3281 PolarHBondContact OH-SD 3.02Å; A3277-M3281 WeakPolarHBondContact O-CB 3.4Å; A3277-M3281 PolarHBondContact O-N 3.48Å; A3277-M3281 VanDerWaalsContact O-N 3.12Å; Y3278-M3281 PolarHBondContact O-N 3.16Å; M3281-L3284 PolarHBondContact O-N 3.29Å; M3281-L3285 HydrophobicContact CG-CD1 4.32Å; M3281-L3285 WeakPolarHBondContact O-CG 3.32Å; M3281-L3285 PolarHBondContact O-N 2.79Å |
| 3282 | Q | 82.1 | Confident | 75.3 | Confident | 29 Ų | 29 | 59 Ų | 59 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64 | -41 | 176.8 | -174.1 | 170.7 | -19.4 | 0 | 0 | 112.1 | Y3012 F3014 M3166 Y3278 T3279 E3280 L3286 | Y3012-Q3282 HydrophobicContact CD1-CB 4.49Å; Y3012-Q3282 HydrophobicContact CD1-CG 4.46Å; Y3012-Q3282 HydrophobicContact CE1-CB 4.08Å; Y3012-Q3282 HydrophobicContact CE1-CG 4.48Å; F3014-Q3282 HydrophobicContact CE1-CG 3.78Å; F3014-Q3282 HydrophobicContact CZ-CG 3.91Å; M3166-Q3282 PolarHBondContact SD-NE2 2.75Å; Y3278-Q3282 VanDerWaalsContact O-CB 3.31Å; Y3278-Q3282 WeakPolarHBondContact O-CB 3.42Å; Y3278-Q3282 PolarHBondContact O-N 3.11Å; T3279-Q3282 PolarHBondContact O-N 2.79Å; E3280-Q3282 VanDerWaalsContact C-N 3.31Å; E3280-Q3282 PolarHBondContact O-N 2.92Å; Q3282-L3286 VanDerWaalsContact O-CB 3.24Å; Q3282-L3286 WeakPolarHBondContact O-CB 3.42Å; Q3282-L3286 PolarHBondContact O-N 2.89Å |
| 3283 | K | 81.5 | Confident | 77.2 | Confident | 105 Ų | 105 | 57 Ų | 57 | 46% | 0.457 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 173.8 | -72.2 | 172.6 | -174.6 | 167.7 | 0 | 111.7 | T3279 E3280 L3286 N3287 | T3279-K3283 WeakPolarHBondContact O-CG 3.19Å; T3279-K3283 PolarHBondContact O-N 2.86Å; E3280-K3283 PolarHBondContact O-N 3.14Å; E3280-K3283 IonicContact OE1-NZ 2.72Å; E3280-K3283 PolarHBondContact OE1-NZ 2.82Å; K3283-L3286 PolarHBondContact O-N 2.84Å; K3283-N3287 VanDerWaalsContact O-CG 3.24Å; K3283-N3287 PolarHBondContact O-N 2.89Å; K3283-N3287 PolarHBondContact O-OD1 3.39Å |
| 3284 | L | 83.1 | Confident | 79 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 179.4 | -71.4 | 167.3 | 0 | 0 | 0 | 111.7 | V3073 E3280 M3281 L3286 N3287 E3288 | V3073-L3284 HydrophobicContact CG1-CB 4.21Å; V3073-L3284 HydrophobicContact CG1-CD1 3.67Å; E3280-L3284 WeakPolarHBondContact O-CG 3.4Å; E3280-L3284 PolarHBondContact O-N 3.38Å; M3281-L3284 PolarHBondContact O-N 3.29Å; L3284-L3286 VanDerWaalsContact C-N 3.33Å; L3284-L3286 PolarHBondContact O-N 2.89Å; L3284-N3287 WeakPolarHBondContact O-CB 3.33Å; L3284-N3287 PolarHBondContact O-N 2.9Å; L3284-E3288 PolarHBondContact O-N 3.18Å; L3284-E3288 VanDerWaalsContact O-N 3.16Å |
| 3285 | L | 85.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.6 | -33.2 | 178.3 | -65.4 | 175.7 | 0 | 0 | 0 | 112.5 | Y3012 F3014 V3071 V3073 Y3091 F3127 M3281 N3287 E3288 G3289 | Y3012-L3285 HydrophobicContact CD1-CD1 4.14Å; Y3012-L3285 HydrophobicContact CD2-CD1 3.54Å; Y3012-L3285 HydrophobicContact CE1-CD1 4.46Å; Y3012-L3285 HydrophobicContact CE2-CD1 3.94Å; Y3012-L3285 HydrophobicContact CG-CD1 3.68Å; F3014-L3285 HydrophobicContact CE2-CB 3.99Å; F3014-L3285 HydrophobicContact CZ-CB 4.27Å; V3071-L3285 HydrophobicContact CG1-CD2 4.48Å; V3073-L3285 HydrophobicContact CG2-CD2 3.91Å; Y3091-L3285 HydrophobicContact CD1-CD1 4.45Å; Y3091-L3285 HydrophobicContact CD2-CD2 4.16Å; Y3091-L3285 HydrophobicContact CE1-CD1 4.4Å; Y3091-L3285 HydrophobicContact CG-CD2 4.24Å; F3127-L3285 HydrophobicContact CB-CD1 4.14Å; F3127-L3285 HydrophobicContact CB-CD2 4.46Å; F3127-L3285 HydrophobicContact CD1-CD2 3.81Å; F3127-L3285 HydrophobicContact CD2-CB 4.27Å; F3127-L3285 HydrophobicContact CE1-CD2 4.19Å; F3127-L3285 HydrophobicContact CE2-CB 4.29Å; F3127-L3285 HydrophobicContact CG-CB 4.41Å; F3127-L3285 HydrophobicContact CG-CD1 4.33Å; F3127-L3285 HydrophobicContact CG-CD2 4.14Å; F3127-L3285 HydrophobicContact CZ-CB 4.46Å; F3127-L3285 WeakPolarHBondContact CZ-O 3.31Å; M3281-L3285 HydrophobicContact CG-CD1 4.32Å; M3281-L3285 WeakPolarHBondContact O-CG 3.32Å; M3281-L3285 PolarHBondContact O-N 2.79Å; L3285-N3287 VanDerWaalsContact C-N 3.34Å; L3285-E3288 PolarHBondContact O-N 3.33Å; L3285-G3289 PolarHBondContact O-N 3.26Å |
| 3286 | L | 85.7 | Confident | 81.6 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 173.5 | -175.6 | 63.2 | 0 | 0 | 0 | 111.8 | F3014 A3169 Q3282 K3283 L3284 E3288 G3289 N3290 | F3014-L3286 HydrophobicContact CD1-CD1 3.89Å; F3014-L3286 HydrophobicContact CE1-CB 4.3Å; F3014-L3286 HydrophobicContact CE1-CD1 4.29Å; F3014-L3286 HydrophobicContact CG-CD1 4.21Å; F3014-L3286 HydrophobicContact CZ-CB 4.42Å; A3169-L3286 HydrophobicContact CB-CD2 3.72Å; Q3282-L3286 VanDerWaalsContact O-CB 3.24Å; Q3282-L3286 WeakPolarHBondContact O-CB 3.42Å; Q3282-L3286 PolarHBondContact O-N 2.89Å; K3283-L3286 PolarHBondContact O-N 2.84Å; L3284-L3286 VanDerWaalsContact C-N 3.33Å; L3284-L3286 PolarHBondContact O-N 2.89Å; L3286-E3288 VanDerWaalsContact C-N 3.33Å; L3286-G3289 PolarHBondContact O-N 2.89Å; L3286-N3290 PolarHBondContact O-N 3.26Å; L3286-N3290 PolarHBondContact O-ND2 3.36Å |
| 3287 | N | 86 | Confident | 82.8 | Confident | 101 Ų | 101 | 50.5 Ų | 50.5 | 54% | 0.54 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 174.3 | -71 | -13.5 | 0 | 0 | 0 | 111.7 | K3283 L3284 L3285 N3290 S3291 | K3283-N3287 VanDerWaalsContact O-CG 3.24Å; K3283-N3287 PolarHBondContact O-N 2.89Å; K3283-N3287 PolarHBondContact O-OD1 3.39Å; L3284-N3287 WeakPolarHBondContact O-CB 3.33Å; L3284-N3287 PolarHBondContact O-N 2.9Å; L3285-N3287 VanDerWaalsContact C-N 3.34Å; N3287-N3290 PolarHBondContact O-N 3.41Å; N3287-S3291 PolarHBondContact O-N 2.94Å |
| 3288 | E | 85.8 | Confident | 83.9 | Confident | 90 Ų | 90 | 53.2 Ų | 53.2 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 173 | -69 | -65.7 | 148.9 | 0 | 0 | 111.8 | V3071 F3127 L3284 L3285 L3286 N3290 S3291 F3292 | V3071-E3288 HydrophobicContact CG1-CG 3.79Å; F3127-E3288 HydrophobicContact CE1-CB 4.34Å; F3127-E3288 HydrophobicContact CZ-CB 4.38Å; L3284-E3288 PolarHBondContact O-N 3.18Å; L3284-E3288 VanDerWaalsContact O-N 3.16Å; L3285-E3288 PolarHBondContact O-N 3.33Å; L3286-E3288 VanDerWaalsContact C-N 3.33Å; E3288-N3290 VanDerWaalsContact C-N 3.35Å; E3288-N3290 PolarHBondContact O-N 2.8Å; E3288-S3291 WeakPolarHBondContact O-CB 3.09Å; E3288-S3291 PolarHBondContact O-N 3.36Å; E3288-F3292 PolarHBondContact O-N 3.05Å |
| 3289 | G | 85.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.3 | -45 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | L3285 L3286 S3291 F3292 K3293 | L3285-G3289 PolarHBondContact O-N 3.26Å; L3286-G3289 PolarHBondContact O-N 2.89Å; G3289-S3291 PolarHBondContact O-N 3.48Å; G3289-F3292 WeakPolarHBondContact O-CB 3.49Å; G3289-F3292 PolarHBondContact O-N 3.2Å; G3289-K3293 PolarHBondContact O-N 3.34Å |
| 3290 | N | 86.7 | Confident | 85.8 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 24% | 0.235 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.5 | -34.3 | 176.8 | -80.3 | -67.5 | 0 | 0 | 0 | 113.4 | E3016 L3286 N3287 E3288 K3293 S3294 | E3016-N3290 PolarHBondContact OE1-OD1 3.37Å; L3286-N3290 PolarHBondContact O-N 3.26Å; L3286-N3290 PolarHBondContact O-ND2 3.36Å; N3287-N3290 PolarHBondContact O-N 3.41Å; E3288-N3290 VanDerWaalsContact C-N 3.35Å; E3288-N3290 PolarHBondContact O-N 2.8Å; N3290-K3293 PolarHBondContact O-N 3.04Å; N3290-S3294 PolarHBondContact O-N 3.29Å; N3290-S3294 PolarHBondContact O-OG 2.68Å |
| 3291 | S | 86.8 | Confident | 86.4 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 172.5 | -174.7 | 0 | 0 | 0 | 0 | 110.6 | N3287 E3288 G3289 K3293 S3294 S3295 | N3287-S3291 PolarHBondContact O-N 2.94Å; E3288-S3291 WeakPolarHBondContact O-CB 3.09Å; E3288-S3291 PolarHBondContact O-N 3.36Å; G3289-S3291 PolarHBondContact O-N 3.48Å; S3291-K3293 PolarHBondContact O-N 3.37Å; S3291-S3294 PolarHBondContact O-N 2.92Å; S3291-S3295 PolarHBondContact O-N 2.84Å |
| 3292 | F | 88.3 | Confident | 86.7 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 173.7 | 172.8 | -102.1 | 0 | 0 | 0 | 112.3 | Y3067 H3095 V3097 I3123 E3288 G3289 S3294 S3295 L3296 | Y3067-F3292 VanDerWaalsContact CB-CE2 3.5Å; Y3067-F3292 AromaticContact CD1-CD2 3.38Å; Y3067-F3292 HydrophobicContact CD1-CD2 3.38Å; Y3067-F3292 AromaticContact CD1-CE2 3.29Å; Y3067-F3292 HydrophobicContact CD1-CE2 3.29Å; Y3067-F3292 HydrophobicContact CD1-CG 4.4Å; Y3067-F3292 HydrophobicContact CD1-CZ 4.24Å; Y3067-F3292 HydrophobicContact CD2-CE2 4.31Å; Y3067-F3292 AromaticContact CE1-CD2 3.81Å; Y3067-F3292 HydrophobicContact CE1-CD2 3.81Å; Y3067-F3292 HydrophobicContact CE1-CE2 4.08Å; Y3067-F3292 HydrophobicContact CG-CD2 4.04Å; Y3067-F3292 AromaticContact CG-CE2 3.44Å; Y3067-F3292 HydrophobicContact CG-CE2 3.44Å; Y3067-F3292 VanDerWaalsContact CG-CE2 3.44Å; Y3067-F3292 HydrophobicContact CG-CZ 4.23Å; H3095-F3292 HydrophobicContact CB-CD1 3.74Å; H3095-F3292 HydrophobicContact CB-CE1 3.41Å; H3095-F3292 VanDerWaalsContact CB-CE1 3.41Å; H3095-F3292 HydrophobicContact CB-CE2 4.34Å; H3095-F3292 HydrophobicContact CB-CG 4.32Å; H3095-F3292 HydrophobicContact CB-CZ 3.74Å; H3095-F3292 AromaticContact CG-CD1 3.6Å; H3095-F3292 AromaticContact CG-CE1 3.84Å; H3095-F3292 AromaticContact CG-CG 3.86Å; H3095-F3292 AromaticContact ND1-CD1 3.65Å; H3095-F3292 AromaticContact ND1-CG 3.99Å; V3097-F3292 HydrophobicContact CG2-CE1 3.89Å; V3097-F3292 HydrophobicContact CG2-CZ 3.97Å; I3123-F3292 HydrophobicContact CG2-CD1 4.22Å; I3123-F3292 HydrophobicContact CG2-CE1 4.01Å; E3288-F3292 PolarHBondContact O-N 3.05Å; G3289-F3292 WeakPolarHBondContact O-CB 3.49Å; G3289-F3292 PolarHBondContact O-N 3.2Å; F3292-S3294 VanDerWaalsContact C-N 3.27Å; F3292-S3294 PolarHBondContact O-N 2.91Å; F3292-S3295 WeakPolarHBondContact O-CB 3.29Å; F3292-S3295 PolarHBondContact O-N 3.19Å; F3292-L3296 HydrophobicContact CE1-CD2 4.2Å; F3292-L3296 HydrophobicContact CZ-CB 4.48Å; F3292-L3296 HydrophobicContact CZ-CD2 4.43Å; F3292-L3296 WeakPolarHBondContact O-CB 3.48Å; F3292-L3296 PolarHBondContact O-N 2.98Å |
| 3293 | K | 89.2 | Confident | 87 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 17% | 0.174 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.9 | -41.6 | 176.5 | -179.8 | -177.9 | -179.5 | -176.6 | 0 | 112.4 | E3017 L3018 I3123 G3289 N3290 S3291 L3296 R3297 | E3017-K3293 WeakPolarHBondContact O-CE 3.35Å; E3017-K3293 PolarHBondContact O-NZ 3.16Å; L3018-K3293 HydrophobicContact CD1-CG 4.32Å; I3123-K3293 HydrophobicContact CD1-CB 4.18Å; I3123-K3293 HydrophobicContact CD1-CG 3.96Å; G3289-K3293 PolarHBondContact O-N 3.34Å; N3290-K3293 PolarHBondContact O-N 3.04Å; S3291-K3293 PolarHBondContact O-N 3.37Å; K3293-L3296 PolarHBondContact O-N 3.48Å; K3293-R3297 PolarHBondContact O-N 3.36Å; K3293-R3297 VanDerWaalsContact O-N 3.08Å |
| 3294 | S | 88.2 | Confident | 87.3 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 53% | 0.531 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 178.2 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | N3290 S3291 F3292 R3297 L3298 | N3290-S3294 PolarHBondContact O-N 3.29Å; N3290-S3294 PolarHBondContact O-OG 2.68Å; S3291-S3294 PolarHBondContact O-N 2.92Å; F3292-S3294 VanDerWaalsContact C-N 3.27Å; F3292-S3294 PolarHBondContact O-N 2.91Å; S3294-R3297 WeakPolarHBondContact O-CB 3.29Å; S3294-R3297 PolarHBondContact O-N 2.89Å; S3294-L3298 PolarHBondContact O-N 3.35Å |
| 3295 | S | 88.3 | Confident | 87.4 | Confident | 69 Ų | 69 | 49.5 Ų | 49.5 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 173.9 | -169.9 | 0 | 0 | 0 | 0 | 112.1 | S3291 F3292 R3297 L3298 T3299 | S3291-S3295 PolarHBondContact O-N 2.84Å; F3292-S3295 WeakPolarHBondContact O-CB 3.29Å; F3292-S3295 PolarHBondContact O-N 3.19Å; S3295-R3297 VanDerWaalsContact C-N 3.32Å; S3295-R3297 PolarHBondContact O-N 3.08Å; S3295-L3298 PolarHBondContact O-N 2.95Å; S3295-T3299 PolarHBondContact O-N 2.92Å; S3295-T3299 PolarHBondContact O-OG1 3.08Å |
| 3296 | L | 89.6 | Confident | 87.3 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 177.7 | -178.2 | 66.8 | 0 | 0 | 0 | 111.5 | L3018 L3043 V3097 I3123 F3292 K3293 L3298 T3299 I3300 | L3018-L3296 HydrophobicContact CD2-CD2 4.12Å; L3018-L3296 HydrophobicContact CD2-CG 4.3Å; L3043-L3296 HydrophobicContact CD1-CD1 4.34Å; V3097-L3296 HydrophobicContact CB-CD2 4.49Å; V3097-L3296 HydrophobicContact CG1-CD1 4.48Å; V3097-L3296 HydrophobicContact CG1-CD2 3.83Å; V3097-L3296 HydrophobicContact CG2-CD2 3.73Å; I3123-L3296 HydrophobicContact CD1-CD2 3.75Å; I3123-L3296 HydrophobicContact CG1-CD2 4.25Å; F3292-L3296 HydrophobicContact CE1-CD2 4.2Å; F3292-L3296 HydrophobicContact CZ-CB 4.48Å; F3292-L3296 HydrophobicContact CZ-CD2 4.43Å; F3292-L3296 WeakPolarHBondContact O-CB 3.48Å; F3292-L3296 PolarHBondContact O-N 2.98Å; K3293-L3296 PolarHBondContact O-N 3.48Å; L3296-L3298 PolarHBondContact O-N 3.33Å; L3296-T3299 WeakPolarHBondContact O-CB 3.17Å; L3296-T3299 PolarHBondContact O-N 3.2Å; L3296-I3300 HydrophobicContact CD1-CD1 4.16Å; L3296-I3300 HydrophobicContact CD1-CG1 4.25Å; L3296-I3300 HydrophobicContact CD2-CD1 4.37Å; L3296-I3300 HydrophobicContact CG-CD1 3.83Å; L3296-I3300 HydrophobicContact CG-CG1 4.33Å; L3296-I3300 VanDerWaalsContact O-CG1 3.26Å; L3296-I3300 WeakPolarHBondContact O-CG1 3.27Å; L3296-I3300 PolarHBondContact O-N 3.27Å |
| 3297 | R | 90.5 | Very high | 87.3 | Confident | 108 Ų | 108 | 51.4 Ų | 51.4 | 41% | 0.408 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.6 | -48.2 | 175.6 | 171.8 | 168.9 | -168.8 | 117.8 | 1.8 | 112.2 | L3018 L3020 K3293 S3294 S3295 T3299 I3300 Q3301 | L3018-R3297 HydrophobicContact CD1-CB 4.45Å; L3018-R3297 HydrophobicContact CD2-CB 4.34Å; L3020-R3297 HydrophobicContact CD2-CB 4.41Å; L3020-R3297 HydrophobicContact CD2-CG 3.66Å; L3020-R3297 VanDerWaalsContact CD2-CZ 3.46Å; L3020-R3297 VanDerWaalsContact CD2-NH1 3.31Å; K3293-R3297 PolarHBondContact O-N 3.36Å; K3293-R3297 VanDerWaalsContact O-N 3.08Å; S3294-R3297 WeakPolarHBondContact O-CB 3.29Å; S3294-R3297 PolarHBondContact O-N 2.89Å; S3295-R3297 VanDerWaalsContact C-N 3.32Å; S3295-R3297 PolarHBondContact O-N 3.08Å; R3297-T3299 VanDerWaalsContact C-N 3.35Å; R3297-I3300 PolarHBondContact O-N 3.5Å; R3297-Q3301 WeakPolarHBondContact O-CG 3.34Å; R3297-Q3301 PolarHBondContact O-N 2.76Å; R3297-Q3301 VanDerWaalsContact O-N 3.16Å |
| 3298 | L | 89.1 | Confident | 87.2 | Confident | 115 Ų | 115 | 49.3 Ų | 49.3 | 60% | 0.602 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 177.7 | -66.9 | 173.4 | 0 | 0 | 0 | 111.1 | S3294 S3295 L3296 I3300 Q3301 E3302 | S3294-L3298 PolarHBondContact O-N 3.35Å; S3295-L3298 PolarHBondContact O-N 2.95Å; L3296-L3298 PolarHBondContact O-N 3.33Å; L3298-I3300 VanDerWaalsContact C-N 3.34Å; L3298-I3300 PolarHBondContact O-N 2.98Å; L3298-Q3301 PolarHBondContact O-N 3.31Å; L3298-Q3301 VanDerWaalsContact O-N 3.17Å; L3298-E3302 PolarHBondContact O-N 3.38Å |
| 3299 | T | 88.6 | Confident | 87.2 | Confident | 26 Ų | 26 | 47 Ų | 47 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | Y3041 S3295 L3296 R3297 E3302 A3303 | Y3041-T3299 HydrophobicContact CD1-CG2 3.77Å; Y3041-T3299 HydrophobicContact CG-CG2 3.86Å; S3295-T3299 PolarHBondContact O-N 2.92Å; S3295-T3299 PolarHBondContact O-OG1 3.08Å; L3296-T3299 WeakPolarHBondContact O-CB 3.17Å; L3296-T3299 PolarHBondContact O-N 3.2Å; R3297-T3299 VanDerWaalsContact C-N 3.35Å; T3299-E3302 PolarHBondContact O-N 3.32Å; T3299-A3303 WeakPolarHBondContact O-CB 3.33Å; T3299-A3303 PolarHBondContact O-N 3.13Å |
| 3300 | I | 88.9 | Confident | 87 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 178.2 | -66.9 | 168.3 | 0 | 0 | 0 | 111.4 | L3018 L3020 L3023 L3030 L3034 L3119 L3296 R3297 L3298 A3303 S3304 | L3018-I3300 HydrophobicContact CD2-CD1 4.16Å; L3020-I3300 HydrophobicContact CD1-CB 3.69Å; L3020-I3300 HydrophobicContact CD1-CD1 3.71Å; L3020-I3300 HydrophobicContact CD1-CG1 4.3Å; L3020-I3300 HydrophobicContact CD1-CG2 3.47Å; L3020-I3300 VanDerWaalsContact CD1-CG2 3.47Å; L3023-I3300 HydrophobicContact CD2-CG2 4.36Å; L3030-I3300 HydrophobicContact CD2-CG2 3.87Å; L3034-I3300 HydrophobicContact CD1-CG1 3.99Å; L3119-I3300 HydrophobicContact CD2-CG2 3.87Å; L3296-I3300 HydrophobicContact CD1-CD1 4.16Å; L3296-I3300 HydrophobicContact CD1-CG1 4.25Å; L3296-I3300 HydrophobicContact CD2-CD1 4.37Å; L3296-I3300 HydrophobicContact CG-CD1 3.83Å; L3296-I3300 HydrophobicContact CG-CG1 4.33Å; L3296-I3300 VanDerWaalsContact O-CG1 3.26Å; L3296-I3300 WeakPolarHBondContact O-CG1 3.27Å; L3296-I3300 PolarHBondContact O-N 3.27Å; R3297-I3300 PolarHBondContact O-N 3.5Å; L3298-I3300 VanDerWaalsContact C-N 3.34Å; L3298-I3300 PolarHBondContact O-N 2.98Å; I3300-A3303 PolarHBondContact O-N 2.8Å; I3300-S3304 WeakPolarHBondContact O-CB 3.12Å; I3300-S3304 PolarHBondContact O-N 2.95Å |
| 3301 | Q | 86.8 | Confident | 86.8 | Confident | 86 Ų | 86 | 48.3 Ų | 48.3 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 177.2 | -73.4 | 177.8 | -30.4 | 0 | 0 | 111.9 | R3297 L3298 S3304 S3305 | R3297-Q3301 WeakPolarHBondContact O-CG 3.34Å; R3297-Q3301 PolarHBondContact O-N 2.76Å; R3297-Q3301 VanDerWaalsContact O-N 3.16Å; L3298-Q3301 PolarHBondContact O-N 3.31Å; L3298-Q3301 VanDerWaalsContact O-N 3.17Å; Q3301-S3304 WeakPolarHBondContact O-CB 3.46Å; Q3301-S3304 PolarHBondContact O-N 2.77Å; Q3301-S3305 PolarHBondContact O-N 3.37Å; Q3301-S3305 PolarHBondContact O-OG 3.45Å |
| 3302 | E | 85.5 | Confident | 86.6 | Confident | 109 Ų | 109 | 45 Ų | 45 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.8 | -49.4 | 173.5 | -176 | 175 | -177.5 | 0 | 0 | 111.2 | L3298 T3299 S3304 S3305 Q3306 | L3298-E3302 PolarHBondContact O-N 3.38Å; T3299-E3302 PolarHBondContact O-N 3.32Å; E3302-S3304 VanDerWaalsContact C-N 3.25Å; E3302-S3304 PolarHBondContact O-N 3.38Å; E3302-S3305 PolarHBondContact O-N 2.79Å; E3302-S3305 VanDerWaalsContact O-N 3.11Å; E3302-Q3306 PolarHBondContact O-N 3.07Å; E3302-Q3306 PolarHBondContact OE1-NE2 3.36Å |
| 3303 | A | 87.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.5 | -33.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L3030 L3034 Y3041 T3299 I3300 S3305 Q3306 C3307 | L3030-A3303 HydrophobicContact CD1-CB 4.07Å; L3034-A3303 HydrophobicContact CD2-CB 3.43Å; L3034-A3303 VanDerWaalsContact CD2-CB 3.43Å; L3034-A3303 HydrophobicContact CG-CB 4.12Å; Y3041-A3303 HydrophobicContact CE1-CB 3.91Å; Y3041-A3303 HydrophobicContact CE2-CB 3.84Å; Y3041-A3303 VanDerWaalsContact CZ-CB 3.49Å; Y3041-A3303 WeakPolarHBondContact OH-CA 3.18Å; T3299-A3303 WeakPolarHBondContact O-CB 3.33Å; T3299-A3303 PolarHBondContact O-N 3.13Å; I3300-A3303 PolarHBondContact O-N 2.8Å; A3303-S3305 VanDerWaalsContact C-N 3.32Å; A3303-S3305 PolarHBondContact O-N 2.82Å; A3303-Q3306 PolarHBondContact O-N 3.36Å; A3303-C3307 WeakPolarHBondContact O-CB 3.03Å; A3303-C3307 PolarHBondContact O-N 2.76Å |
| 3304 | S | 88.2 | Confident | 86.1 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 175.9 | -169.4 | 0 | 0 | 0 | 0 | 112 | R3024 S3025 I3300 Q3301 E3302 Y3308 | R3024-S3304 PolarHBondContact N-OG 3.41Å; R3024-S3304 VanDerWaalsContact N-OG 3.12Å; S3025-S3304 PolarHBondContact N-OG 3.11Å; S3025-S3304 PolarHBondContact OG-O 3.14Å; I3300-S3304 WeakPolarHBondContact O-CB 3.12Å; I3300-S3304 PolarHBondContact O-N 2.95Å; Q3301-S3304 WeakPolarHBondContact O-CB 3.46Å; Q3301-S3304 PolarHBondContact O-N 2.77Å; E3302-S3304 VanDerWaalsContact C-N 3.25Å; E3302-S3304 PolarHBondContact O-N 3.38Å; S3304-Y3308 WeakPolarHBondContact O-CB 3.28Å; S3304-Y3308 PolarHBondContact O-N 3Å |
| 3305 | S | 84.1 | Confident | 85.8 | Confident | 42 Ų | 42 | 46.6 Ų | 46.6 | 29% | 0.294 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -70.8 | -43.6 | 177.9 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | Q3301 E3302 A3303 Y3308 L3309 | Q3301-S3305 PolarHBondContact O-N 3.37Å; Q3301-S3305 PolarHBondContact O-OG 3.45Å; E3302-S3305 PolarHBondContact O-N 2.79Å; E3302-S3305 VanDerWaalsContact O-N 3.11Å; A3303-S3305 VanDerWaalsContact C-N 3.32Å; A3303-S3305 PolarHBondContact O-N 2.82Å; S3305-Y3308 PolarHBondContact O-N 2.67Å; S3305-L3309 WeakPolarHBondContact O-CG 3.5Å; S3305-L3309 PolarHBondContact O-N 3.12Å; S3305-L3309 VanDerWaalsContact O-N 3.1Å |
| 3306 | Q | 84 | Confident | 85.6 | Confident | 64 Ų | 64 | 43.3 Ų | 43.3 | 30% | 0.299 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.8 | -40.1 | 178.5 | -67.9 | 177.7 | -0.7 | 0 | 0 | 112.8 | Y3033 Y3041 E3302 A3303 Y3308 L3309 D3310 | Y3033-Q3306 HydrophobicContact CE1-CB 4.44Å; Y3041-Q3306 PolarHBondContact OH-OE1 2.76Å; E3302-Q3306 PolarHBondContact O-N 3.07Å; E3302-Q3306 PolarHBondContact OE1-NE2 3.36Å; A3303-Q3306 PolarHBondContact O-N 3.36Å; Q3306-Y3308 VanDerWaalsContact C-N 3.29Å; Q3306-Y3308 PolarHBondContact O-N 2.89Å; Q3306-L3309 PolarHBondContact O-N 2.88Å; Q3306-D3310 WeakPolarHBondContact O-CB 3.49Å; Q3306-D3310 PolarHBondContact O-N 3.37Å |
| 3307 | C | 85.1 | Confident | 85 | Confident | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.054 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -41.2 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | S3025 L3030 Y3033 A3303 D3310 S3311 | S3025-C3307 WeakPolarHBondContact OG-CB 3.32Å; L3030-C3307 HydrophobicContact CD1-CB 4.17Å; Y3033-C3307 HydrophobicContact CD1-CB 3.71Å; Y3033-C3307 HydrophobicContact CD2-CB 3.83Å; Y3033-C3307 HydrophobicContact CE1-CB 3.94Å; Y3033-C3307 HydrophobicContact CE2-CB 4.06Å; Y3033-C3307 HydrophobicContact CG-CB 3.63Å; A3303-C3307 WeakPolarHBondContact O-CB 3.03Å; A3303-C3307 PolarHBondContact O-N 2.76Å; C3307-D3310 PolarHBondContact O-N 3.07Å; C3307-S3311 PolarHBondContact O-N 3.1Å |
| 3308 | Y | 84.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 45 Ų | 45 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.8 | -44.4 | 178.1 | 179.3 | -108.4 | 0 | 0 | 0 | 111.1 | R3024 S3025 S3304 S3305 Q3306 D3310 S3311 L3312 T3341 | R3024-Y3308 HydrophobicContact CB-CD1 4.47Å; R3024-Y3308 HydrophobicContact CB-CD2 4.47Å; R3024-Y3308 HydrophobicContact CB-CG 4.06Å; R3024-Y3308 WeakPolarHBondContact O-CD2 3.44Å; S3025-Y3308 WeakPolarHBondContact OG-CA 3.23Å; S3025-Y3308 WeakPolarHBondContact OG-CB 3.35Å; S3025-Y3308 PolarHBondContact OG-N 2.7Å; S3304-Y3308 WeakPolarHBondContact O-CB 3.28Å; S3304-Y3308 PolarHBondContact O-N 3Å; S3305-Y3308 PolarHBondContact O-N 2.67Å; Q3306-Y3308 VanDerWaalsContact C-N 3.29Å; Q3306-Y3308 PolarHBondContact O-N 2.89Å; Y3308-D3310 VanDerWaalsContact C-N 3.34Å; Y3308-D3310 PolarHBondContact O-N 3.5Å; Y3308-S3311 PolarHBondContact O-N 3.5Å; Y3308-S3311 PolarHBondContact O-OG 2.8Å; Y3308-L3312 HydrophobicContact CD1-CD1 4.16Å; Y3308-L3312 HydrophobicContact CE1-CD1 3.59Å; Y3308-L3312 HydrophobicContact CE1-CG 4.27Å; Y3308-L3312 HydrophobicContact CE2-CD2 4.44Å; Y3308-L3312 HydrophobicContact CE2-CG 4.44Å; Y3308-L3312 WeakPolarHBondContact O-CG 3Å; Y3308-L3312 PolarHBondContact O-N 3.26Å; Y3308-T3341 HydrophobicContact CE1-CG2 4.08Å |
| 3309 | L | 84.5 | Confident | 82.3 | Confident | 41 Ų | 41 | 41.5 Ų | 41.5 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 176.2 | -67.9 | 174.3 | 0 | 0 | 0 | 112.4 | S3305 Q3306 L3312 W3313 T3341 S3345 | S3305-L3309 WeakPolarHBondContact O-CG 3.5Å; S3305-L3309 PolarHBondContact O-N 3.12Å; S3305-L3309 VanDerWaalsContact O-N 3.1Å; Q3306-L3309 PolarHBondContact O-N 2.88Å; L3309-L3312 PolarHBondContact O-N 2.91Å; L3309-W3313 PolarHBondContact O-N 3.07Å; L3309-T3341 HydrophobicContact CD2-CG2 4.48Å; L3309-S3345 WeakPolarHBondContact CD2-OG 3.45Å |
| 3310 | D | 82.8 | Confident | 80.3 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -37.8 | 175.4 | -86.5 | -30.5 | 0 | 0 | 0 | 112.5 | Y3033 K3037 Q3306 C3307 Y3308 W3313 Q3314 K3427 | Y3033-D3310 HydrophobicContact CE2-CB 4.05Å; Y3033-D3310 WeakPolarHBondContact CE2-OD2 3.33Å; Y3033-D3310 VanDerWaalsContact CZ-OD2 3.29Å; Y3033-D3310 PolarHBondContact OH-OD2 3.21Å; K3037-D3310 IonicContact NZ-OD2 3.67Å; K3037-D3310 PolarHBondContact NZ-OD2 3.1Å; Q3306-D3310 WeakPolarHBondContact O-CB 3.49Å; Q3306-D3310 PolarHBondContact O-N 3.37Å; C3307-D3310 PolarHBondContact O-N 3.07Å; Y3308-D3310 VanDerWaalsContact C-N 3.34Å; Y3308-D3310 PolarHBondContact O-N 3.5Å; D3310-W3313 PolarHBondContact O-N 2.95Å; D3310-Q3314 PolarHBondContact O-N 2.81Å; D3310-K3427 WeakPolarHBondContact OD1-CE 3.3Å; D3310-K3427 IonicContact OD1-NZ 3.76Å; D3310-K3427 PolarHBondContact OD1-NZ 3.35Å |
| 3311 | S | 82.1 | Confident | 77.8 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.7 | -38.6 | 177 | 77.1 | 0 | 0 | 0 | 0 | 111.5 | C3307 Y3308 Q3314 K3315 | C3307-S3311 PolarHBondContact O-N 3.1Å; Y3308-S3311 PolarHBondContact O-N 3.5Å; Y3308-S3311 PolarHBondContact O-OG 2.8Å; S3311-Q3314 PolarHBondContact O-N 2.83Å; S3311-K3315 WeakPolarHBondContact O-CB 3.3Å; S3311-K3315 PolarHBondContact O-N 2.8Å |
| 3312 | L | 83.5 | Confident | 75.4 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 171.8 | -67.2 | -174.1 | 0 | 0 | 0 | 112.1 | Y3308 L3309 K3315 L3316 E3338 T3341 L3342 | Y3308-L3312 HydrophobicContact CD1-CD1 4.16Å; Y3308-L3312 HydrophobicContact CE1-CD1 3.59Å; Y3308-L3312 HydrophobicContact CE1-CG 4.27Å; Y3308-L3312 HydrophobicContact CE2-CD2 4.44Å; Y3308-L3312 HydrophobicContact CE2-CG 4.44Å; Y3308-L3312 WeakPolarHBondContact O-CG 3Å; Y3308-L3312 PolarHBondContact O-N 3.26Å; L3309-L3312 PolarHBondContact O-N 2.91Å; L3312-K3315 WeakPolarHBondContact O-CB 3.49Å; L3312-K3315 PolarHBondContact O-N 3.35Å; L3312-L3316 PolarHBondContact O-N 3.15Å; L3312-E3338 HydrophobicContact CD1-CB 4.37Å; L3312-E3338 WeakPolarHBondContact CD1-O 3.2Å; L3312-E3338 HydrophobicContact CD2-CB 3.73Å; L3312-E3338 HydrophobicContact CD2-CG 3.75Å; L3312-T3341 HydrophobicContact CD1-CG2 4.45Å; L3312-L3342 HydrophobicContact CB-CD1 4.01Å |
| 3313 | W | 84.8 | Confident | 72.9 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 2% | 0.023 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.1 | -165.9 | -80.5 | 0 | 0 | 0 | 111.4 | L3309 D3310 L3316 L3317 L3342 T3346 L3405 F3408 K3427 | L3309-W3313 PolarHBondContact O-N 3.07Å; D3310-W3313 PolarHBondContact O-N 2.95Å; W3313-L3316 WeakPolarHBondContact O-CB 3.15Å; W3313-L3316 PolarHBondContact O-N 3.21Å; W3313-L3317 WeakPolarHBondContact O-CG 3.2Å; W3313-L3317 PolarHBondContact O-N 2.92Å; W3313-L3342 HydrophobicContact CB-CD1 4.24Å; W3313-L3342 HydrophobicContact CE3-CD1 3.95Å; W3313-L3342 HydrophobicContact CE3-CD2 4.18Å; W3313-L3342 HydrophobicContact CE3-CG 4.26Å; W3313-T3346 HydrophobicContact CE3-CG2 4.02Å; W3313-T3346 HydrophobicContact CZ3-CG2 3.45Å; W3313-T3346 VanDerWaalsContact CZ3-CG2 3.45Å; W3313-L3405 PolarHBondContact NE1-O 2.78Å; W3313-F3408 HydrophobicContact CE3-CE1 4.26Å; W3313-F3408 AromaticContact CH2-CD1 3.55Å; W3313-F3408 HydrophobicContact CH2-CD1 3.55Å; W3313-F3408 AromaticContact CH2-CE1 3.37Å; W3313-F3408 HydrophobicContact CH2-CE1 3.37Å; W3313-F3408 AromaticContact CZ2-CD1 3.85Å; W3313-F3408 HydrophobicContact CZ2-CD1 3.85Å; W3313-F3408 HydrophobicContact CZ2-CE1 4.04Å; W3313-F3408 HydrophobicContact CZ3-CD1 4.14Å; W3313-F3408 AromaticContact CZ3-CE1 3.49Å; W3313-F3408 HydrophobicContact CZ3-CE1 3.49Å; W3313-F3408 VanDerWaalsContact CZ3-CE1 3.49Å; W3313-F3408 HydrophobicContact CZ3-CZ 4.46Å; W3313-K3427 HydrophobicContact CD2-CB 4.39Å; W3313-K3427 HydrophobicContact CD2-CD 3.91Å; W3313-K3427 HydrophobicContact CD2-CG 4.02Å; W3313-K3427 HydrophobicContact CE3-CB 4.35Å; W3313-K3427 HydrophobicContact CE3-CD 4.46Å; W3313-K3427 HydrophobicContact CE3-CG 4.07Å; W3313-K3427 HydrophobicContact CG-CD 4.1Å; W3313-K3427 HydrophobicContact CH2-CB 3.72Å; W3313-K3427 HydrophobicContact CH2-CG 4.34Å; W3313-K3427 HydrophobicContact CZ2-CB 3.74Å; W3313-K3427 HydrophobicContact CZ2-CD 4.36Å; W3313-K3427 HydrophobicContact CZ2-CG 4.27Å; W3313-K3427 HydrophobicContact CZ3-CB 4.03Å; W3313-K3427 HydrophobicContact CZ3-CG 4.24Å |
| 3314 | Q | 81.5 | Confident | 70.5 | Confident | 117 Ų | 117 | 55.7 Ų | 55.7 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 174.7 | -73.7 | -160.4 | -18.5 | 0 | 0 | 112.6 | D3310 S3311 L3316 L3317 Y3318 | D3310-Q3314 PolarHBondContact O-N 2.81Å; S3311-Q3314 PolarHBondContact O-N 2.83Å; Q3314-L3316 VanDerWaalsContact C-N 3.28Å; Q3314-L3316 PolarHBondContact O-N 3.18Å; Q3314-L3317 PolarHBondContact O-N 3.42Å; Q3314-Y3318 HydrophobicContact CB-CD2 4.25Å; Q3314-Y3318 HydrophobicContact CB-CE2 4.5Å; Q3314-Y3318 HydrophobicContact CG-CE2 4.41Å; Q3314-Y3318 VanDerWaalsContact O-CD2 3.31Å; Q3314-Y3318 WeakPolarHBondContact O-CD2 3.31Å; Q3314-Y3318 PolarHBondContact O-N 3.24Å |
| 3315 | K | 82 | Confident | 68.2 | Low | 45 Ų | 45 | 62.4 Ų | 62.4 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 176 | -163.1 | 177.9 | -175 | -175.1 | 0 | 111.5 | S3311 L3312 T3332 A3333 I3334 E3338 | S3311-K3315 WeakPolarHBondContact O-CB 3.3Å; S3311-K3315 PolarHBondContact O-N 2.8Å; L3312-K3315 WeakPolarHBondContact O-CB 3.49Å; L3312-K3315 PolarHBondContact O-N 3.35Å; K3315-T3332 WeakPolarHBondContact CE-O 3.38Å; K3315-T3332 WeakPolarHBondContact CE-OG1 3.4Å; K3315-T3332 PolarHBondContact NZ-OG1 2.84Å; K3315-A3333 WeakPolarHBondContact CE-O 3.49Å; K3315-I3334 HydrophobicContact CD-CB 4.34Å; K3315-I3334 HydrophobicContact CG-CB 4.31Å; K3315-E3338 IonicContact NZ-OE1 3.22Å; K3315-E3338 PolarHBondContact NZ-OE1 3.02Å; K3315-E3338 IonicContact NZ-OE2 2.59Å; K3315-E3338 PolarHBondContact NZ-OE2 2.93Å |
| 3316 | L | 82.9 | Confident | 65.8 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 174.1 | -178.2 | 67 | 0 | 0 | 0 | 112.4 | L3312 W3313 Q3314 I3334 F3339 L3342 I3387 V3398 F3408 | L3312-L3316 PolarHBondContact O-N 3.15Å; W3313-L3316 WeakPolarHBondContact O-CB 3.15Å; W3313-L3316 PolarHBondContact O-N 3.21Å; Q3314-L3316 VanDerWaalsContact C-N 3.28Å; Q3314-L3316 PolarHBondContact O-N 3.18Å; L3316-I3334 HydrophobicContact CB-CD1 4.29Å; L3316-I3334 HydrophobicContact CD1-CG2 4.21Å; L3316-F3339 HydrophobicContact CD1-CD2 4.31Å; L3316-F3339 HydrophobicContact CD1-CE2 4.25Å; L3316-F3339 HydrophobicContact CD2-CE2 4.32Å; L3316-L3342 HydrophobicContact CB-CD2 4.48Å; L3316-L3342 HydrophobicContact CD2-CD2 3.91Å; L3316-I3387 HydrophobicContact CD1-CD1 4.17Å; L3316-V3398 HydrophobicContact CD1-CG1 4.19Å; L3316-V3398 HydrophobicContact CD2-CG1 4.31Å; L3316-F3408 HydrophobicContact CD2-CD1 3.83Å; L3316-F3408 HydrophobicContact CD2-CE1 3.51Å; L3316-F3408 HydrophobicContact CD2-CG 4.49Å; L3316-F3408 HydrophobicContact CD2-CZ 3.94Å |
| 3317 | L | 78.3 | Confident | 63.6 | Low | 19 Ų | 19 | 75 Ų | 75 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -70.1 | -45.5 | -176 | -67.7 | 176 | 0 | 0 | 0 | 113 | W3313 Q3314 D3319 I3400 L3405 | W3313-L3317 WeakPolarHBondContact O-CG 3.2Å; W3313-L3317 PolarHBondContact O-N 2.92Å; Q3314-L3317 PolarHBondContact O-N 3.42Å; L3317-D3319 PolarHBondContact O-N 2.82Å; L3317-I3400 HydrophobicContact CD2-CD1 4.33Å; L3317-I3400 HydrophobicContact CD2-CG1 4.26Å; L3317-I3400 HydrophobicContact CD2-CG2 3.53Å; L3317-L3405 HydrophobicContact CD1-CB 4.05Å; L3317-L3405 HydrophobicContact CD2-CB 4.39Å; L3317-L3405 HydrophobicContact CD2-CD2 4.16Å |
| 3318 | Y | 67.1 | Low | 61.4 | Low | 129 Ų | 129 | 85.5 Ų | 85.5 | 51% | 0.506 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 23.2 | -166.1 | -63.8 | -70.6 | 0 | 0 | 0 | 115.3 | Q3314 I3320 | Q3314-Y3318 HydrophobicContact CB-CD2 4.25Å; Q3314-Y3318 HydrophobicContact CB-CE2 4.5Å; Q3314-Y3318 HydrophobicContact CG-CE2 4.41Å; Q3314-Y3318 VanDerWaalsContact O-CD2 3.31Å; Q3314-Y3318 WeakPolarHBondContact O-CD2 3.31Å; Q3314-Y3318 PolarHBondContact O-N 3.24Å; Y3318-I3320 PolarHBondContact O-N 2.99Å |
| 3319 | D | 55.9 | Low | 59.3 | Low | 42 Ų | 42 | 89.9 Ų | 89.9 | 23% | 0.225 | 45% | 0.447 | C | S | . | . | trans | -64.6 | 20 | 175.1 | -116.2 | -5.3 | 0 | 0 | 0 | 115 | L3317 A3333 | L3317-D3319 PolarHBondContact O-N 2.82Å; D3319-A3333 WeakPolarHBondContact OD1-CA 3.37Å | ||
| 3320 | I | 45 | Very low | 57.6 | Low | 83 Ų | 83 | 96.3 Ų | 96.3 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -94 | 128.3 | 172 | -56.1 | 171.9 | 0 | 0 | 0 | 107.6 | Y3318 V3322 | Y3318-I3320 PolarHBondContact O-N 2.99Å; I3320-V3322 PolarHBondContact O-N 3.32Å |
| 3321 | P | 38.3 | Very low | 56 | Low | 108 Ų | 108 | 99.8 Ų | 99.8 | 70% | 0.701 | 49% | 0.493 | S | S | * | . | trans | -65 | 89.8 | 165.1 | 27.2 | -30.4 | 0 | 0 | 0 | 108 | K3323 | P3321-K3323 PolarHBondContact O-N 3.28Å; P3321-K3323 VanDerWaalsContact O-N 3.09Å | ||
| 3322 | V | 36.2 | Very low | 54.8 | Low | 82 Ų | 82 | 102.1 Ų | 102.1 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | trans | -56.2 | 118.8 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | I3320 G3324 | I3320-V3322 PolarHBondContact O-N 3.32Å; V3322-G3324 PolarHBondContact O-N 3.28Å | ||
| 3323 | K | 33 | Very low | 54.1 | Low | 216 Ų | 216 | 104.7 Ų | 104.7 | 94% | 0.939 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -69.3 | 75.4 | 165.6 | -77.1 | -177.3 | 178.5 | 173.8 | 0 | 108.1 | P3321 | P3321-K3323 PolarHBondContact O-N 3.28Å; P3321-K3323 VanDerWaalsContact O-N 3.09Å |
| 3324 | G | 36.8 | Very low | 53.9 | Low | 32 Ų | 32 | 105.1 Ų | 105.1 | 33% | 0.33 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -156.7 | 161.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | V3322 L3326 | V3322-G3324 PolarHBondContact O-N 3.28Å; G3324-L3326 PolarHBondContact O-N 3.47Å |
| 3325 | P | 39.1 | Very low | 53.9 | Low | 143 Ų | 143 | 103.1 Ų | 103.1 | 93% | 0.929 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -76.6 | 29.6 | -164.6 | 33.2 | -35.1 | 0 | 0 | 0 | 114.2 | ||
| 3326 | L | 35.1 | Very low | 54 | Low | 144 Ų | 144 | 102.8 Ų | 102.8 | 75% | 0.754 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -83.5 | 124.2 | 168.1 | -73.2 | 165.1 | 0 | 0 | 0 | 108.6 | G3324 R3328 | G3324-L3326 PolarHBondContact O-N 3.47Å; L3326-R3328 PolarHBondContact O-N 2.81Å |
| 3327 | R | 37.2 | Very low | 54 | Low | 228 Ų | 228 | 104.8 Ų | 104.8 | 86% | 0.86 | 55% | 0.545 | S | S | * | . | trans | -52.3 | 125.4 | -171 | -67.6 | -177.1 | 173.7 | 169.5 | -1.6 | 111 | D3329 | R3327-D3329 PolarHBondContact O-N 2.54Š| ||
| 3328 | R | 38.2 | Very low | 54.3 | Low | 228 Ų | 228 | 105.8 Ų | 105.8 | 86% | 0.86 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -11.9 | -177.3 | -73.5 | 179.5 | 174.9 | 168.7 | -1.8 | 115.2 | L3326 | L3326-R3328 PolarHBondContact O-N 2.81Š|
| 3329 | D | 41.8 | Very low | 55.3 | Low | 149 Ų | 149 | 99.6 Ų | 99.6 | 80% | 0.797 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 11 | -162.6 | -58.6 | -21 | 0 | 0 | 0 | 115.4 | R3327 | R3327-D3329 PolarHBondContact O-N 2.54Š|
| 3330 | Q | 47 | Very low | 56.7 | Low | 176 Ų | 176 | 100.2 Ų | 100.2 | 82% | 0.822 | 53% | 0.526 | S | S | * | . | trans | -136.7 | 7.3 | -176.9 | -72.4 | -171.4 | 11.4 | 0 | 0 | 117.7 | T3332 | Q3330-T3332 PolarHBondContact O-N 3.16Å; Q3330-T3332 VanDerWaalsContact O-N 3.13Å | ||
| 3331 | I | 50.2 | Low | 58.6 | Low | 100 Ų | 100 | 98.7 Ų | 98.7 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | trans | -85.6 | 93.5 | 171.6 | -53 | 177 | 0 | 0 | 0 | 107.4 | ||||
| 3332 | T | 56.6 | Low | 60.9 | Low | 94 Ų | 94 | 93.6 Ų | 93.6 | 58% | 0.577 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 130.5 | 167.4 | 43.2 | 0 | 0 | 0 | 0 | 107.9 | K3315 Q3330 | K3315-T3332 WeakPolarHBondContact CE-O 3.38Å; K3315-T3332 WeakPolarHBondContact CE-OG1 3.4Å; K3315-T3332 PolarHBondContact NZ-OG1 2.84Å; Q3330-T3332 PolarHBondContact O-N 3.16Å; Q3330-T3332 VanDerWaalsContact O-N 3.13Å |
| 3333 | A | 68.3 | Low | 63.2 | Low | 58 Ų | 58 | 90.5 Ų | 90.5 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 149.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | K3315 D3319 T3335 | K3315-A3333 WeakPolarHBondContact CE-O 3.49Å; D3319-A3333 WeakPolarHBondContact OD1-CA 3.37Å; A3333-T3335 PolarHBondContact O-N 3.31Å |
| 3334 | I | 80.8 | Confident | 65.5 | Low | 14 Ų | 14 | 88 Ų | 88 | 7% | 0.072 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 124.4 | 174.3 | -168.4 | 168.9 | 0 | 0 | 0 | 109.4 | K3315 L3316 E3338 F3339 L3342 I3387 | K3315-I3334 HydrophobicContact CD-CB 4.34Å; K3315-I3334 HydrophobicContact CG-CB 4.31Å; L3316-I3334 HydrophobicContact CB-CD1 4.29Å; L3316-I3334 HydrophobicContact CD1-CG2 4.21Å; I3334-E3338 HydrophobicContact CD1-CB 4.44Å; I3334-E3338 HydrophobicContact CG1-CB 3.79Å; I3334-F3339 HydrophobicContact CD1-CB 4.03Å; I3334-F3339 HydrophobicContact CD1-CD2 4.19Å; I3334-F3339 HydrophobicContact CG1-CB 4.2Å; I3334-L3342 HydrophobicContact CD1-CD2 4.4Å; I3334-I3387 HydrophobicContact CG2-CD1 3.87Å; I3334-I3387 HydrophobicContact CG2-CG1 4.49Å |
| 3335 | T | 82.8 | Confident | 67.5 | Low | 75 Ų | 75 | 87.7 Ų | 87.7 | 46% | 0.46 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 158.7 | 177.7 | 62.2 | 0 | 0 | 0 | 0 | 110.2 | A3333 G3337 E3338 F3339 | A3333-T3335 PolarHBondContact O-N 3.31Å; T3335-G3337 VanDerWaalsContact C-N 3.31Å; T3335-G3337 PolarHBondContact O-N 3.42Å; T3335-E3338 PolarHBondContact N-OE2 2.91Å; T3335-E3338 PolarHBondContact O-N 2.91Å; T3335-E3338 WeakPolarHBondContact OG1-CB 3.48Å; T3335-E3338 WeakPolarHBondContact OG1-CG 3.45Å; T3335-E3338 PolarHBondContact OG1-N 2.86Å; T3335-E3338 PolarHBondContact OG1-OE2 3.46Å; T3335-F3339 PolarHBondContact O-N 3.41Å |
| 3336 | F | 83.3 | Confident | 69.6 | Low | 39 Ų | 39 | 81.5 Ų | 81.5 | 17% | 0.171 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.3 | -44.3 | 178.5 | 180 | -93.1 | 0 | 0 | 0 | 112.6 | F3339 E3340 I3387 S3389 K3394 Y3396 | F3336-F3339 PolarHBondContact O-N 2.8Å; F3336-E3340 HydrophobicContact CE1-CG 3.89Å; F3336-E3340 HydrophobicContact CZ-CG 3.98Å; F3336-E3340 PolarHBondContact O-N 2.86Å; F3336-I3387 HydrophobicContact CD2-CG2 4.15Å; F3336-S3389 VanDerWaalsContact CD2-CA 3.5Å; F3336-K3394 HydrophobicContact CE2-CB 4.09Å; F3336-K3394 HydrophobicContact CZ-CB 4.13Å; F3336-K3394 HydrophobicContact CZ-CD 4.09Å; F3336-Y3396 HydrophobicContact CE2-CD2 4.13Å; F3336-Y3396 AromaticContact CE2-CE2 3.7Å; F3336-Y3396 HydrophobicContact CE2-CE2 3.7Å; F3336-Y3396 HydrophobicContact CZ-CE2 4.25Å |
| 3337 | G | 82.8 | Confident | 71.8 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67 | -36.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T3335 T3341 | T3335-G3337 VanDerWaalsContact C-N 3.31Å; T3335-G3337 PolarHBondContact O-N 3.42Å; G3337-T3341 PolarHBondContact O-N 2.94Å; G3337-T3341 PolarHBondContact O-OG1 3.33Å |
| 3338 | E | 85.5 | Confident | 74 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 19% | 0.187 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 171.8 | -75.8 | 170.6 | 149.4 | 0 | 0 | 111 | L3312 K3315 I3334 T3335 T3341 L3342 | L3312-E3338 HydrophobicContact CD1-CB 4.37Å; L3312-E3338 WeakPolarHBondContact CD1-O 3.2Å; L3312-E3338 HydrophobicContact CD2-CB 3.73Å; L3312-E3338 HydrophobicContact CD2-CG 3.75Å; K3315-E3338 IonicContact NZ-OE1 3.22Å; K3315-E3338 PolarHBondContact NZ-OE1 3.02Å; K3315-E3338 IonicContact NZ-OE2 2.59Å; K3315-E3338 PolarHBondContact NZ-OE2 2.93Å; I3334-E3338 HydrophobicContact CD1-CB 4.44Å; I3334-E3338 HydrophobicContact CG1-CB 3.79Å; T3335-E3338 PolarHBondContact N-OE2 2.91Å; T3335-E3338 PolarHBondContact O-N 2.91Å; T3335-E3338 WeakPolarHBondContact OG1-CB 3.48Å; T3335-E3338 WeakPolarHBondContact OG1-CG 3.45Å; T3335-E3338 PolarHBondContact OG1-N 2.86Å; T3335-E3338 PolarHBondContact OG1-OE2 3.46Å; E3338-T3341 WeakPolarHBondContact O-CB 3.34Å; E3338-T3341 PolarHBondContact O-N 2.98Å; E3338-L3342 PolarHBondContact O-N 3.48Å |
| 3339 | F | 86.5 | Confident | 76.1 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 177.8 | -176.9 | -110.7 | 0 | 0 | 0 | 112.6 | L3316 I3334 T3335 F3336 T3341 L3342 L3343 I3387 Y3396 V3398 F3408 M3410 | L3316-F3339 HydrophobicContact CD1-CD2 4.31Å; L3316-F3339 HydrophobicContact CD1-CE2 4.25Å; L3316-F3339 HydrophobicContact CD2-CE2 4.32Å; I3334-F3339 HydrophobicContact CD1-CB 4.03Å; I3334-F3339 HydrophobicContact CD1-CD2 4.19Å; I3334-F3339 HydrophobicContact CG1-CB 4.2Å; T3335-F3339 PolarHBondContact O-N 3.41Å; F3336-F3339 PolarHBondContact O-N 2.8Å; F3339-T3341 VanDerWaalsContact C-N 3.31Å; F3339-T3341 PolarHBondContact O-N 3.45Å; F3339-L3342 HydrophobicContact CD2-CD2 4.46Å; F3339-L3342 WeakPolarHBondContact O-CB 3.49Å; F3339-L3342 PolarHBondContact O-N 2.98Å; F3339-L3343 HydrophobicContact CD1-CD1 3.92Å; F3339-L3343 HydrophobicContact CD1-CG 4.28Å; F3339-L3343 HydrophobicContact CE1-CD1 3.47Å; F3339-L3343 VanDerWaalsContact CE1-CD1 3.47Å; F3339-L3343 HydrophobicContact CE1-CD2 4.3Å; F3339-L3343 HydrophobicContact CE1-CG 3.89Å; F3339-L3343 HydrophobicContact CE2-CD2 4.41Å; F3339-L3343 HydrophobicContact CE2-CG 4.37Å; F3339-L3343 HydrophobicContact CZ-CD1 3.96Å; F3339-L3343 HydrophobicContact CZ-CD2 3.91Å; F3339-L3343 HydrophobicContact CZ-CG 3.93Å; F3339-L3343 WeakPolarHBondContact O-CG 3.38Å; F3339-L3343 PolarHBondContact O-N 3.39Å; F3339-I3387 HydrophobicContact CB-CD1 4.1Å; F3339-I3387 HydrophobicContact CB-CG2 4.33Å; F3339-I3387 HydrophobicContact CD1-CD1 3.82Å; F3339-I3387 HydrophobicContact CD1-CG2 4.1Å; F3339-I3387 HydrophobicContact CD2-CD1 3.51Å; F3339-I3387 HydrophobicContact CE1-CD1 4.08Å; F3339-I3387 HydrophobicContact CE2-CD1 3.82Å; F3339-I3387 HydrophobicContact CG-CD1 3.52Å; F3339-I3387 HydrophobicContact CG-CG2 4.36Å; F3339-I3387 HydrophobicContact CZ-CD1 4.09Å; F3339-Y3396 HydrophobicContact CD1-CD2 4.15Å; F3339-Y3396 HydrophobicContact CE1-CD1 4.49Å; F3339-Y3396 AromaticContact CE1-CD2 3.85Å; F3339-Y3396 HydrophobicContact CE1-CD2 3.85Å; F3339-Y3396 HydrophobicContact CE1-CE2 4.41Å; F3339-Y3396 AromaticContact CE1-CG 3.88Å; F3339-Y3396 HydrophobicContact CE1-CG 3.88Å; F3339-V3398 HydrophobicContact CE1-CG2 4.36Å; F3339-V3398 HydrophobicContact CE2-CG2 3.71Å; F3339-V3398 HydrophobicContact CZ-CG2 3.44Å; F3339-V3398 VanDerWaalsContact CZ-CG2 3.44Å; F3339-F3408 HydrophobicContact CE2-CE2 4.46Å; F3339-F3408 HydrophobicContact CE2-CZ 4.27Å; F3339-M3410 HydrophobicContact CE1-SD 4.4Å; F3339-M3410 HydrophobicContact CZ-SD 4.17Å |
| 3340 | E | 86 | Confident | 78 | Confident | 55 Ų | 55 | 58.1 Ų | 58.1 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 172.2 | -85.5 | -155.3 | 155 | 0 | 0 | 111.6 | F3336 L3342 L3343 H3344 K3394 | F3336-E3340 HydrophobicContact CE1-CG 3.89Å; F3336-E3340 HydrophobicContact CZ-CG 3.98Å; F3336-E3340 PolarHBondContact O-N 2.86Å; E3340-L3342 VanDerWaalsContact C-N 3.3Å; E3340-L3342 PolarHBondContact O-N 3.35Å; E3340-L3343 PolarHBondContact O-N 3.32Å; E3340-H3344 PolarHBondContact O-N 3.13Å; E3340-H3344 VanDerWaalsContact O-N 3.09Å; E3340-H3344 PolarHBondContact O-ND1 3.48Å; E3340-K3394 IonicContact OE1-NZ 2.79Å; E3340-K3394 PolarHBondContact OE1-NZ 2.86Å |
| 3341 | T | 85.8 | Confident | 79.4 | Confident | 50 Ų | 50 | 50 Ų | 50 | 31% | 0.307 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 176.2 | -55 | 0 | 0 | 0 | 0 | 111.3 | Y3308 L3309 L3312 G3337 E3338 F3339 | Y3308-T3341 HydrophobicContact CE1-CG2 4.08Å; L3309-T3341 HydrophobicContact CD2-CG2 4.48Å; L3312-T3341 HydrophobicContact CD1-CG2 4.45Å; G3337-T3341 PolarHBondContact O-N 2.94Å; G3337-T3341 PolarHBondContact O-OG1 3.33Å; E3338-T3341 WeakPolarHBondContact O-CB 3.34Å; E3338-T3341 PolarHBondContact O-N 2.98Å; F3339-T3341 VanDerWaalsContact C-N 3.31Å; F3339-T3341 PolarHBondContact O-N 3.45Å |
| 3342 | L | 86.5 | Confident | 80.6 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 172.7 | -170.7 | 65.8 | 0 | 0 | 0 | 110.6 | L3312 W3313 L3316 I3334 E3338 F3339 E3340 H3344 S3345 T3346 | L3312-L3342 HydrophobicContact CB-CD1 4.01Å; W3313-L3342 HydrophobicContact CB-CD1 4.24Å; W3313-L3342 HydrophobicContact CE3-CD1 3.95Å; W3313-L3342 HydrophobicContact CE3-CD2 4.18Å; W3313-L3342 HydrophobicContact CE3-CG 4.26Å; L3316-L3342 HydrophobicContact CB-CD2 4.48Å; L3316-L3342 HydrophobicContact CD2-CD2 3.91Å; I3334-L3342 HydrophobicContact CD1-CD2 4.4Å; E3338-L3342 PolarHBondContact O-N 3.48Å; F3339-L3342 HydrophobicContact CD2-CD2 4.46Å; F3339-L3342 WeakPolarHBondContact O-CB 3.49Å; F3339-L3342 PolarHBondContact O-N 2.98Å; E3340-L3342 VanDerWaalsContact C-N 3.3Å; E3340-L3342 PolarHBondContact O-N 3.35Å; L3342-H3344 VanDerWaalsContact C-N 3.33Å; L3342-H3344 PolarHBondContact O-N 3.44Å; L3342-S3345 PolarHBondContact O-N 3.35Å; L3342-S3345 PolarHBondContact O-OG 3.46Å; L3342-T3346 HydrophobicContact CD1-CG2 4.49Å; L3342-T3346 HydrophobicContact CG-CG2 4.23Å; L3342-T3346 VanDerWaalsContact O-CG2 3.28Å; L3342-T3346 WeakPolarHBondContact O-CG2 3.41Å; L3342-T3346 PolarHBondContact O-N 3.28Å |
| 3343 | L | 84.7 | Confident | 81.5 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.4 | -42.2 | -177.4 | -77 | 178.6 | 0 | 0 | 0 | 113.4 | F3339 E3340 S3345 T3346 L3348 M3410 | F3339-L3343 HydrophobicContact CD1-CD1 3.92Å; F3339-L3343 HydrophobicContact CD1-CG 4.28Å; F3339-L3343 HydrophobicContact CE1-CD1 3.47Å; F3339-L3343 VanDerWaalsContact CE1-CD1 3.47Å; F3339-L3343 HydrophobicContact CE1-CD2 4.3Å; F3339-L3343 HydrophobicContact CE1-CG 3.89Å; F3339-L3343 HydrophobicContact CE2-CD2 4.41Å; F3339-L3343 HydrophobicContact CE2-CG 4.37Å; F3339-L3343 HydrophobicContact CZ-CD1 3.96Å; F3339-L3343 HydrophobicContact CZ-CD2 3.91Å; F3339-L3343 HydrophobicContact CZ-CG 3.93Å; F3339-L3343 WeakPolarHBondContact O-CG 3.38Å; F3339-L3343 PolarHBondContact O-N 3.39Å; E3340-L3343 PolarHBondContact O-N 3.32Å; L3343-S3345 PolarHBondContact O-N 3.22Å; L3343-S3345 VanDerWaalsContact O-N 3.14Å; L3343-T3346 VanDerWaalsContact CA-OG1 3.29Å; L3343-T3346 WeakPolarHBondContact CA-OG1 2.92Å; L3343-T3346 PolarHBondContact O-N 2.91Å; L3343-T3346 PolarHBondContact O-OG1 2.82Å; L3343-L3348 HydrophobicContact CD2-CD2 4.4Å; L3343-M3410 HydrophobicContact CD1-SD 4.1Å; L3343-M3410 HydrophobicContact CD2-SD 3.77Å |
| 3344 | H | 81.1 | Confident | 81.7 | Confident | 162 Ų | 162 | 51.4 Ų | 51.4 | 75% | 0.75 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.3 | -23.5 | 177.4 | -75.8 | 86.5 | 0 | 0 | 0 | 113.4 | E3340 L3342 | E3340-H3344 PolarHBondContact O-N 3.13Å; E3340-H3344 VanDerWaalsContact O-N 3.09Å; E3340-H3344 PolarHBondContact O-ND1 3.48Å; L3342-H3344 VanDerWaalsContact C-N 3.33Å; L3342-H3344 PolarHBondContact O-N 3.44Å |
| 3345 | S | 78 | Confident | 81.5 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 19% | 0.189 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -97.1 | -6.8 | 178.3 | 74.4 | 0 | 0 | 0 | 0 | 114.1 | L3309 L3342 L3343 N3428 | L3309-S3345 WeakPolarHBondContact CD2-OG 3.45Å; L3342-S3345 PolarHBondContact O-N 3.35Å; L3342-S3345 PolarHBondContact O-OG 3.46Å; L3343-S3345 PolarHBondContact O-N 3.22Å; L3343-S3345 VanDerWaalsContact O-N 3.14Å; S3345-N3428 PolarHBondContact O-ND2 3.33Å; S3345-N3428 PolarHBondContact O-OD1 2.86Å |
| 3346 | T | 83.4 | Confident | 81.2 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -102.3 | 149.3 | -175.1 | 55.7 | 0 | 0 | 0 | 0 | 111.2 | W3313 L3342 L3343 L3348 | W3313-T3346 HydrophobicContact CE3-CG2 4.02Å; W3313-T3346 HydrophobicContact CZ3-CG2 3.45Å; W3313-T3346 VanDerWaalsContact CZ3-CG2 3.45Å; L3342-T3346 HydrophobicContact CD1-CG2 4.49Å; L3342-T3346 HydrophobicContact CG-CG2 4.23Å; L3342-T3346 VanDerWaalsContact O-CG2 3.28Å; L3342-T3346 WeakPolarHBondContact O-CG2 3.41Å; L3342-T3346 PolarHBondContact O-N 3.28Å; L3343-T3346 VanDerWaalsContact CA-OG1 3.29Å; L3343-T3346 WeakPolarHBondContact CA-OG1 2.92Å; L3343-T3346 PolarHBondContact O-N 2.91Å; L3343-T3346 PolarHBondContact O-OG1 2.82Å; T3346-L3348 WeakPolarHBondContact O-CD1 3.35Å; T3346-L3348 PolarHBondContact O-N 3.42Å |
| 3347 | R | 81 | Confident | 80.8 | Confident | 115 Ų | 115 | 59.9 Ų | 59.9 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 111.7 | 176 | -175.1 | 172.6 | 172.3 | -174.7 | -2.5 | 109.2 | Y3426 D3432 | R3347-Y3426 PolarHBondContact N-O 3.33Å; R3347-Y3426 VanDerWaalsContact N-O 3.12Å; R3347-Y3426 PolarHBondContact O-N 3.24Å; R3347-D3432 IonicContact CZ-OD1 3.8Å; R3347-D3432 IonicContact NH1-OD1 3.03Å; R3347-D3432 PolarHBondContact NH1-OD1 3.41Å |
| 3348 | L | 83.3 | Confident | 80.4 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 38% | 0.382 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.5 | 174.8 | -66.8 | 93.8 | 0 | 0 | 0 | 109.7 | L3343 T3346 M3410 | L3343-L3348 HydrophobicContact CD2-CD2 4.4Å; T3346-L3348 WeakPolarHBondContact O-CD1 3.35Å; T3346-L3348 PolarHBondContact O-N 3.42Å; L3348-M3410 HydrophobicContact CD2-CE 3.51Å |
| 3349 | V | 83.3 | Confident | 79.7 | Confident | 20 Ų | 20 | 59.7 Ų | 59.7 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 107.4 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 108 | F3351 E3353 I3354 S3423 M3424 Y3426 | V3349-F3351 PolarHBondContact O-N 3.33Å; V3349-E3353 HydrophobicContact CG1-CB 4.19Å; V3349-I3354 HydrophobicContact CG1-CD1 4.27Å; V3349-I3354 HydrophobicContact CG1-CG1 4.04Å; V3349-S3423 CarbonylContact O-C 3.56Å; V3349-S3423 WeakPolarHBondContact O-CA 2.83Å; V3349-M3424 PolarHBondContact N-O 3.44Å; V3349-M3424 PolarHBondContact O-N 2.93Å; V3349-Y3426 HydrophobicContact CB-CE2 4.03Å; V3349-Y3426 HydrophobicContact CG2-CD2 3.87Å; V3349-Y3426 HydrophobicContact CG2-CE2 3.66Å |
| 3350 | P | 81.6 | Confident | 79 | Confident | 50 Ų | 50 | 64.4 Ų | 64.4 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 139.3 | 175.2 | -22.8 | 33.2 | 0 | 0 | 0 | 111.1 | L3352 E3353 | P3350-L3352 PolarHBondContact O-N 3.28Å; P3350-E3353 WeakPolarHBondContact O-CB 3.43Å; P3350-E3353 PolarHBondContact O-N 3.12Å |
| 3351 | F | 76.9 | Confident | 78.1 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 2% | 0.022 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -23.1 | -179.8 | -87.4 | -141.4 | 0 | 0 | 0 | 113 | V3349 E3353 I3354 D3355 L3409 V3422 M3424 F3448 F3451 | V3349-F3351 PolarHBondContact O-N 3.33Å; F3351-E3353 PolarHBondContact O-N 3.39Å; F3351-I3354 HydrophobicContact CD2-CD1 4.36Å; F3351-I3354 PolarHBondContact O-N 3.26Å; F3351-I3354 VanDerWaalsContact O-N 3.09Å; F3351-D3355 PolarHBondContact O-N 3.34Å; F3351-L3409 HydrophobicContact CE1-CD1 3.84Å; F3351-L3409 HydrophobicContact CE1-CG 4.44Å; F3351-L3409 HydrophobicContact CE2-CD1 4.39Å; F3351-L3409 HydrophobicContact CE2-CG 4.25Å; F3351-L3409 HydrophobicContact CZ-CD1 3.37Å; F3351-L3409 HydrophobicContact CZ-CG 3.67Å; F3351-V3422 HydrophobicContact CB-CB 4.38Å; F3351-V3422 VanDerWaalsContact CB-O 3.25Å; F3351-V3422 WeakPolarHBondContact CB-O 3.4Å; F3351-V3422 HydrophobicContact CD1-CB 4.1Å; F3351-V3422 HydrophobicContact CD1-CG1 3.56Å; F3351-V3422 HydrophobicContact CD2-CB 4.35Å; F3351-V3422 HydrophobicContact CD2-CG1 3.84Å; F3351-V3422 WeakPolarHBondContact CD2-O 3.24Å; F3351-V3422 HydrophobicContact CE1-CG1 3.6Å; F3351-V3422 HydrophobicContact CE2-CG1 3.83Å; F3351-V3422 HydrophobicContact CG-CB 4Å; F3351-V3422 HydrophobicContact CG-CG1 3.73Å; F3351-V3422 WeakPolarHBondContact CG-O 3.4Å; F3351-V3422 HydrophobicContact CZ-CG1 3.75Å; F3351-V3422 PolarHBondContact N-O 3.46Å; F3351-M3424 HydrophobicContact CD2-CB 4.48Å; F3351-M3424 HydrophobicContact CE2-CB 3.85Å; F3351-M3424 HydrophobicContact CE2-CE 4.08Å; F3351-M3424 VanDerWaalsContact CE2-N 3.32Å; F3351-M3424 HydrophobicContact CZ-CE 3.9Å; F3351-F3448 AromaticContact CD1-CD2 3.82Å; F3351-F3448 HydrophobicContact CD1-CD2 3.82Å; F3351-F3448 AromaticContact CD1-CE2 3.33Å; F3351-F3448 HydrophobicContact CD1-CE2 3.33Å; F3351-F3448 HydrophobicContact CD1-CZ 4.43Å; F3351-F3448 AromaticContact CE1-CD2 3.35Å; F3351-F3448 HydrophobicContact CE1-CD2 3.35Å; F3351-F3448 AromaticContact CE1-CE2 3.4Å; F3351-F3448 HydrophobicContact CE1-CE2 3.4Å; F3351-F3448 HydrophobicContact CG-CE2 4.03Å; F3351-F3448 AromaticContact CZ-CD2 3.79Å; F3351-F3448 HydrophobicContact CZ-CD2 3.79Å; F3351-F3448 HydrophobicContact CZ-CE2 4.16Å; F3351-F3451 HydrophobicContact CD1-CD1 4.3Å; F3351-F3451 HydrophobicContact CD1-CE1 4.13Å; F3351-F3451 AromaticContact CE1-CD1 3.61Å; F3351-F3451 HydrophobicContact CE1-CD1 3.61Å; F3351-F3451 AromaticContact CE1-CE1 3.8Å; F3351-F3451 HydrophobicContact CE1-CE1 3.8Å; F3351-F3451 HydrophobicContact CE1-CG 4.42Å |
| 3352 | L | 74.1 | Confident | 77 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 42% | 0.419 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.6 | -32.3 | 173 | -173.3 | 71.1 | 0 | 0 | 0 | 112.7 | P3350 L3362 | P3350-L3352 PolarHBondContact O-N 3.28Å; L3352-L3362 HydrophobicContact CD1-CD1 4.16Å; L3352-L3362 HydrophobicContact CD2-CD1 4.01Å; L3352-L3362 HydrophobicContact CG-CD1 4.5Å |
| 3353 | E | 75.1 | Confident | 76.3 | Confident | 143 Ų | 143 | 70.1 Ų | 70.1 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -76.7 | -26.8 | 177.8 | -63.9 | -177.3 | -168.6 | 0 | 0 | 112.3 | V3349 P3350 F3351 | V3349-E3353 HydrophobicContact CG1-CB 4.19Å; P3350-E3353 WeakPolarHBondContact O-CB 3.43Å; P3350-E3353 PolarHBondContact O-N 3.12Å; F3351-E3353 PolarHBondContact O-N 3.39Å |
| 3354 | I | 73.4 | Confident | 75.8 | Confident | 60 Ų | 60 | 70 Ų | 70 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -83.2 | -48.8 | -179.7 | -56.1 | 175.3 | 0 | 0 | 0 | 110.3 | V3349 F3351 M3424 F3448 | V3349-I3354 HydrophobicContact CG1-CD1 4.27Å; V3349-I3354 HydrophobicContact CG1-CG1 4.04Å; F3351-I3354 HydrophobicContact CD2-CD1 4.36Å; F3351-I3354 PolarHBondContact O-N 3.26Å; F3351-I3354 VanDerWaalsContact O-N 3.09Å; I3354-M3424 HydrophobicContact CD1-CB 4.11Å; I3354-F3448 HydrophobicContact CB-CE2 4.44Å; I3354-F3448 HydrophobicContact CG2-CD2 4.44Å; I3354-F3448 HydrophobicContact CG2-CE2 4.11Å; I3354-F3448 HydrophobicContact CG2-CZ 4.14Å |
| 3355 | D | 76.9 | Confident | 75.9 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | trans | -139.8 | 103.5 | 174.5 | -169.4 | -14.9 | 0 | 0 | 0 | 111.5 | F3351 R3357 I3358 F3448 | F3351-D3355 PolarHBondContact O-N 3.34Å; D3355-R3357 PolarHBondContact O-N 3.14Å; D3355-R3357 VanDerWaalsContact O-N 3.11Å; D3355-R3357 WeakPolarHBondContact OD1-CB 3.46Å; D3355-R3357 WeakPolarHBondContact OD1-CG 3.4Å; D3355-R3357 IonicContact OD1-CZ 3.83Å; D3355-R3357 PolarHBondContact OD1-N 2.85Å; D3355-R3357 IonicContact OD1-NE 2.96Å; D3355-R3357 PolarHBondContact OD1-NE 2.99Å; D3355-R3357 IonicContact OD1-NH2 3.34Å; D3355-R3357 IonicContact OD2-CZ 3.33Å; D3355-R3357 IonicContact OD2-NE 3.15Å; D3355-R3357 PolarHBondContact OD2-NE 2.84Å; D3355-R3357 VanDerWaalsContact OD2-NE 3.15Å; D3355-R3357 IonicContact OD2-NH2 3.89Å; D3355-R3357 PolarHBondContact OD2-NH2 3.2Å; D3355-I3358 HydrophobicContact CB-CD1 3.9Å; D3355-I3358 HydrophobicContact CB-CG1 4.06Å; D3355-I3358 PolarHBondContact O-N 2.69Å; D3355-I3358 VanDerWaalsContact O-N 3.12Å; D3355-F3448 HydrophobicContact CB-CE1 4.3Å; D3355-F3448 HydrophobicContact CB-CZ 3.84Å | ||
| 3356 | P | 76.1 | Confident | 76.1 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -65.7 | -16.3 | -178.1 | 24 | -31.8 | 0 | 0 | 0 | 113.7 | I3358 S3359 | P3356-I3358 PolarHBondContact O-N 3.38Å; P3356-S3359 VanDerWaalsContact O-CB 3.24Å; P3356-S3359 WeakPolarHBondContact O-CB 3.49Å; P3356-S3359 PolarHBondContact O-N 2.62Å; P3356-S3359 VanDerWaalsContact O-N 3.13Å; P3356-S3359 PolarHBondContact O-OG 3.26Å |
| 3357 | R | 75.9 | Confident | 76.1 | Confident | 198 Ų | 198 | 67.3 Ų | 67.3 | 75% | 0.747 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -65.7 | -19.8 | 175.8 | -60.2 | 175 | -66.1 | 179.3 | 2.3 | 112.3 | D3355 S3359 F3360 | D3355-R3357 PolarHBondContact O-N 3.14Å; D3355-R3357 VanDerWaalsContact O-N 3.11Å; D3355-R3357 WeakPolarHBondContact OD1-CB 3.46Å; D3355-R3357 WeakPolarHBondContact OD1-CG 3.4Å; D3355-R3357 IonicContact OD1-CZ 3.83Å; D3355-R3357 PolarHBondContact OD1-N 2.85Å; D3355-R3357 IonicContact OD1-NE 2.96Å; D3355-R3357 PolarHBondContact OD1-NE 2.99Å; D3355-R3357 IonicContact OD1-NH2 3.34Å; D3355-R3357 IonicContact OD2-CZ 3.33Å; D3355-R3357 IonicContact OD2-NE 3.15Å; D3355-R3357 PolarHBondContact OD2-NE 2.84Å; D3355-R3357 VanDerWaalsContact OD2-NE 3.15Å; D3355-R3357 IonicContact OD2-NH2 3.89Å; D3355-R3357 PolarHBondContact OD2-NH2 3.2Å; R3357-S3359 PolarHBondContact O-N 3.34Å; R3357-F3360 VanDerWaalsContact O-CD1 3.31Å; R3357-F3360 WeakPolarHBondContact O-CD1 3.44Å |
| 3358 | I | 73.3 | Confident | 76.2 | Confident | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.087 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -83.6 | -0.7 | 179.1 | -52.8 | -178.4 | 0 | 0 | 0 | 111.6 | D3355 P3356 F3360 M3361 F3448 V3452 | D3355-I3358 HydrophobicContact CB-CD1 3.9Å; D3355-I3358 HydrophobicContact CB-CG1 4.06Å; D3355-I3358 PolarHBondContact O-N 2.69Å; D3355-I3358 VanDerWaalsContact O-N 3.12Å; P3356-I3358 PolarHBondContact O-N 3.38Å; I3358-F3360 PolarHBondContact O-N 3.36Å; I3358-M3361 HydrophobicContact CG2-CB 4.25Å; I3358-M3361 HydrophobicContact CG2-CE 3.65Å; I3358-M3361 HydrophobicContact CG2-CG 3.57Å; I3358-M3361 HydrophobicContact CG2-SD 3.8Å; I3358-M3361 WeakPolarHBondContact O-CB 3.48Å; I3358-M3361 PolarHBondContact O-N 2.83Å; I3358-F3448 HydrophobicContact CD1-CE1 4.22Å; I3358-F3448 HydrophobicContact CD1-CE2 4.07Å; I3358-F3448 HydrophobicContact CD1-CZ 3.4Å; I3358-V3452 HydrophobicContact CD1-CG2 3.75Å |
| 3359 | S | 71.4 | Confident | 76.3 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 41% | 0.413 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -47.2 | -30 | 176 | 49.8 | 0 | 0 | 0 | 0 | 114.8 | P3356 R3357 M3361 L3362 | P3356-S3359 VanDerWaalsContact O-CB 3.24Å; P3356-S3359 WeakPolarHBondContact O-CB 3.49Å; P3356-S3359 PolarHBondContact O-N 2.62Å; P3356-S3359 VanDerWaalsContact O-N 3.13Å; P3356-S3359 PolarHBondContact O-OG 3.26Å; R3357-S3359 PolarHBondContact O-N 3.34Å; S3359-M3361 PolarHBondContact O-N 3.05Å; S3359-M3361 VanDerWaalsContact O-N 3.14Å; S3359-L3362 WeakPolarHBondContact O-CB 3.28Å; S3359-L3362 PolarHBondContact O-N 3.15Å; S3359-L3362 VanDerWaalsContact O-N 3.11Å |
| 3360 | F | 70.9 | Confident | 76.5 | Confident | 99 Ų | 99 | 63.5 Ų | 63.5 | 43% | 0.434 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -56.8 | -28.3 | 175.1 | 72.5 | -91.5 | 0 | 0 | 0 | 113 | R3357 I3358 L3362 T3363 F3364 F3459 | R3357-F3360 VanDerWaalsContact O-CD1 3.31Å; R3357-F3360 WeakPolarHBondContact O-CD1 3.44Å; I3358-F3360 PolarHBondContact O-N 3.36Å; F3360-L3362 VanDerWaalsContact C-N 3.26Å; F3360-L3362 PolarHBondContact O-N 3.3Å; F3360-T3363 WeakPolarHBondContact O-CB 3.33Å; F3360-T3363 PolarHBondContact O-N 2.88Å; F3360-T3363 VanDerWaalsContact O-N 3.14Å; F3360-T3363 PolarHBondContact O-OG1 3.37Å; F3360-F3364 HydrophobicContact CD2-CE1 4.48Å; F3360-F3364 HydrophobicContact CD2-CE2 4.21Å; F3360-F3364 AromaticContact CD2-CZ 3.72Å; F3360-F3364 HydrophobicContact CD2-CZ 3.72Å; F3360-F3364 HydrophobicContact CE2-CE2 4.13Å; F3360-F3364 AromaticContact CE2-CZ 3.78Å; F3360-F3364 HydrophobicContact CE2-CZ 3.78Å; F3360-F3459 HydrophobicContact CE2-CD2 4.3Å; F3360-F3459 AromaticContact CE2-CE2 3.97Å; F3360-F3459 HydrophobicContact CE2-CE2 3.97Å; F3360-F3459 HydrophobicContact CZ-CE2 4.43Å |
| 3361 | M | 66.7 | Low | 76.7 | Confident | 14 Ų | 14 | 62 Ų | 62 | 7% | 0.069 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -66.6 | -26.7 | 179.4 | -60.9 | -151 | -40 | 0 | 0 | 113.7 | I3358 S3359 T3363 F3364 V3422 F3451 F3459 | I3358-M3361 HydrophobicContact CG2-CB 4.25Å; I3358-M3361 HydrophobicContact CG2-CE 3.65Å; I3358-M3361 HydrophobicContact CG2-CG 3.57Å; I3358-M3361 HydrophobicContact CG2-SD 3.8Å; I3358-M3361 WeakPolarHBondContact O-CB 3.48Å; I3358-M3361 PolarHBondContact O-N 2.83Å; S3359-M3361 PolarHBondContact O-N 3.05Å; S3359-M3361 VanDerWaalsContact O-N 3.14Å; M3361-T3363 PolarHBondContact O-N 3.42Å; M3361-F3364 VanDerWaalsContact CA-CD2 3.46Å; M3361-F3364 VanDerWaalsContact CA-CE2 3.44Å; M3361-F3364 HydrophobicContact CB-CD2 3.85Å; M3361-F3364 HydrophobicContact CB-CE2 3.73Å; M3361-F3364 HydrophobicContact CG-CD2 4.24Å; M3361-F3364 HydrophobicContact CG-CE2 3.63Å; M3361-F3364 WeakPolarHBondContact O-CB 3.11Å; M3361-F3364 WeakPolarHBondContact O-CD2 3.36Å; M3361-F3364 WeakPolarHBondContact O-CG 3.24Å; M3361-F3364 PolarHBondContact O-N 3.33Å; M3361-F3364 VanDerWaalsContact O-N 3.09Å; M3361-F3364 HydrophobicContact SD-CE2 4.29Å; M3361-V3422 HydrophobicContact CE-CB 3.92Å; M3361-V3422 HydrophobicContact CE-CG2 3.38Å; M3361-F3451 HydrophobicContact CE-CE1 4.24Å; M3361-F3451 HydrophobicContact CE-CZ 4.4Å; M3361-F3459 HydrophobicContact SD-CE2 4.35Å; M3361-F3459 HydrophobicContact SD-CZ 4.48Å |
| 3362 | L | 64.2 | Low | 77.1 | Confident | 98 Ų | 98 | 61.9 Ų | 61.9 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -65.7 | -18.6 | 176.2 | -65.3 | 168.2 | 0 | 0 | 0 | 112.3 | L3352 S3359 F3360 F3364 | L3352-L3362 HydrophobicContact CD1-CD1 4.16Å; L3352-L3362 HydrophobicContact CD2-CD1 4.01Å; L3352-L3362 HydrophobicContact CG-CD1 4.5Å; S3359-L3362 WeakPolarHBondContact O-CB 3.28Å; S3359-L3362 PolarHBondContact O-N 3.15Å; S3359-L3362 VanDerWaalsContact O-N 3.11Å; F3360-L3362 VanDerWaalsContact C-N 3.26Å; F3360-L3362 PolarHBondContact O-N 3.3Å; L3362-F3364 VanDerWaalsContact C-N 3.26Å; L3362-F3364 PolarHBondContact O-N 3.32Å |
| 3363 | T | 70.9 | Confident | 77.8 | Confident | 116 Ų | 116 | 58.1 Ų | 58.1 | 71% | 0.712 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -81.5 | -4.9 | 176.8 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | F3360 M3361 | F3360-T3363 WeakPolarHBondContact O-CB 3.33Å; F3360-T3363 PolarHBondContact O-N 2.88Å; F3360-T3363 VanDerWaalsContact O-N 3.14Å; F3360-T3363 PolarHBondContact O-OG1 3.37Å; M3361-T3363 PolarHBondContact O-N 3.42Å |
| 3364 | F | 75.1 | Confident | 78.4 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.057 | 30% | 0.298 | C | S | . | . | trans | -73.2 | 133.2 | -179.7 | -64.1 | -36 | 0 | 0 | 0 | 111.8 | F3360 M3361 L3362 R3368 S3420 F3459 | F3360-F3364 HydrophobicContact CD2-CE1 4.48Å; F3360-F3364 HydrophobicContact CD2-CE2 4.21Å; F3360-F3364 AromaticContact CD2-CZ 3.72Å; F3360-F3364 HydrophobicContact CD2-CZ 3.72Å; F3360-F3364 HydrophobicContact CE2-CE2 4.13Å; F3360-F3364 AromaticContact CE2-CZ 3.78Å; F3360-F3364 HydrophobicContact CE2-CZ 3.78Å; M3361-F3364 VanDerWaalsContact CA-CD2 3.46Å; M3361-F3364 VanDerWaalsContact CA-CE2 3.44Å; M3361-F3364 HydrophobicContact CB-CD2 3.85Å; M3361-F3364 HydrophobicContact CB-CE2 3.73Å; M3361-F3364 HydrophobicContact CG-CD2 4.24Å; M3361-F3364 HydrophobicContact CG-CE2 3.63Å; M3361-F3364 WeakPolarHBondContact O-CB 3.11Å; M3361-F3364 WeakPolarHBondContact O-CD2 3.36Å; M3361-F3364 WeakPolarHBondContact O-CG 3.24Å; M3361-F3364 PolarHBondContact O-N 3.33Å; M3361-F3364 VanDerWaalsContact O-N 3.09Å; M3361-F3364 HydrophobicContact SD-CE2 4.29Å; L3362-F3364 VanDerWaalsContact C-N 3.26Å; L3362-F3364 PolarHBondContact O-N 3.32Å; F3364-R3368 HydrophobicContact CB-CB 4.33Å; F3364-R3368 HydrophobicContact CD1-CG 4.23Å; F3364-R3368 VanDerWaalsContact CE1-CZ 3.43Å; F3364-R3368 HydrophobicContact CG-CG 4.4Å; F3364-S3420 PolarHBondContact O-OG 3.34Å; F3364-F3459 HydrophobicContact CD2-CE1 4.43Å; F3364-F3459 HydrophobicContact CD2-CZ 4.13Å; F3364-F3459 HydrophobicContact CE1-CE1 4.21Å; F3364-F3459 HydrophobicContact CE1-CZ 4.5Å; F3364-F3459 AromaticContact CE2-CE1 3.55Å; F3364-F3459 HydrophobicContact CE2-CE1 3.55Å; F3364-F3459 AromaticContact CE2-CE2 3.92Å; F3364-F3459 HydrophobicContact CE2-CE2 3.92Å; F3364-F3459 AromaticContact CE2-CZ 3.12Å; F3364-F3459 HydrophobicContact CE2-CZ 3.12Å; F3364-F3459 HydrophobicContact CZ-CD1 4.16Å; F3364-F3459 AromaticContact CZ-CE1 3.41Å; F3364-F3459 HydrophobicContact CZ-CE1 3.41Å; F3364-F3459 VanDerWaalsContact CZ-CE1 3.41Å; F3364-F3459 HydrophobicContact CZ-CE2 4Å; F3364-F3459 AromaticContact CZ-CZ 3.35Å; F3364-F3459 HydrophobicContact CZ-CZ 3.35Å | ||
| 3365 | S | 82.7 | Confident | 79 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | trans | -61.9 | 149.7 | 167.4 | 61.6 | 0 | 0 | 0 | 0 | 109.9 | S3367 R3368 I3369 | S3365-S3367 PolarHBondContact O-N 3.1Å; S3365-S3367 VanDerWaalsContact O-N 3.13Å; S3365-S3367 PolarHBondContact OG-OG 2.87Å; S3365-R3368 WeakPolarHBondContact O-CA 3.29Å; S3365-R3368 WeakPolarHBondContact O-CB 3.46Å; S3365-R3368 PolarHBondContact O-N 3.24Å; S3365-R3368 WeakPolarHBondContact OG-CB 3.44Å; S3365-R3368 PolarHBondContact OG-N 3.13Å; S3365-I3369 PolarHBondContact O-N 2.76Å | ||
| 3366 | P | 81.7 | Confident | 79.5 | Confident | 12 Ų | 12 | 55 Ų | 55 | 8% | 0.078 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -51.1 | -38.2 | 174 | -29 | 34.7 | 0 | 0 | 0 | 112.8 | R3368 I3369 V3370 A3413 D3414 F3415 | P3366-R3368 VanDerWaalsContact C-N 3.31Å; P3366-R3368 PolarHBondContact O-N 3.18Å; P3366-I3369 WeakPolarHBondContact O-CG2 3.42Å; P3366-I3369 PolarHBondContact O-N 3.38Å; P3366-V3370 VanDerWaalsContact O-CG2 3.27Å; P3366-V3370 WeakPolarHBondContact O-CG2 3.33Å; P3366-V3370 PolarHBondContact O-N 3.42Å; P3366-A3413 HydrophobicContact CB-CB 4.37Å; P3366-D3414 WeakPolarHBondContact CG-O 3.32Å; P3366-F3415 HydrophobicContact CB-CD1 3.75Å; P3366-F3415 HydrophobicContact CB-CD2 4.32Å; P3366-F3415 HydrophobicContact CB-CE1 3.64Å; P3366-F3415 HydrophobicContact CB-CE2 4.2Å; P3366-F3415 HydrophobicContact CB-CG 4.1Å; P3366-F3415 HydrophobicContact CB-CZ 3.88Å; P3366-F3415 HydrophobicContact CG-CD1 4.5Å |
| 3367 | S | 83 | Confident | 80 | Confident | 78 Ų | 78 | 54.5 Ų | 54.5 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 175 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | S3365 S3371 | S3365-S3367 PolarHBondContact O-N 3.1Å; S3365-S3367 VanDerWaalsContact O-N 3.13Å; S3365-S3367 PolarHBondContact OG-OG 2.87Å; S3367-S3371 PolarHBondContact O-N 2.84Å |
| 3368 | R | 83.7 | Confident | 80.5 | Confident | 109 Ų | 109 | 52.7 Ų | 52.7 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -74.7 | -39.9 | 178.6 | -171.2 | 169.3 | -176.4 | -175.6 | 2 | 110.8 | F3364 S3365 P3366 V3370 S3371 L3372 | F3364-R3368 HydrophobicContact CB-CB 4.33Å; F3364-R3368 HydrophobicContact CD1-CG 4.23Å; F3364-R3368 VanDerWaalsContact CE1-CZ 3.43Å; F3364-R3368 HydrophobicContact CG-CG 4.4Å; S3365-R3368 WeakPolarHBondContact O-CA 3.29Å; S3365-R3368 WeakPolarHBondContact O-CB 3.46Å; S3365-R3368 PolarHBondContact O-N 3.24Å; S3365-R3368 WeakPolarHBondContact OG-CB 3.44Å; S3365-R3368 PolarHBondContact OG-N 3.13Å; P3366-R3368 VanDerWaalsContact C-N 3.31Å; P3366-R3368 PolarHBondContact O-N 3.18Å; R3368-V3370 VanDerWaalsContact C-N 3.33Å; R3368-V3370 PolarHBondContact O-N 2.94Å; R3368-S3371 WeakPolarHBondContact O-CB 3.42Å; R3368-S3371 PolarHBondContact O-N 3.29Å; R3368-S3371 PolarHBondContact O-OG 3.28Å; R3368-L3372 PolarHBondContact O-N 3.37Å |
| 3369 | I | 86.6 | Confident | 81.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.4 | -33 | 177.8 | -142.8 | 163.4 | 0 | 0 | 0 | 112.1 | S3365 P3366 S3371 L3372 M3373 I3411 A3413 V3422 | S3365-I3369 PolarHBondContact O-N 2.76Å; P3366-I3369 WeakPolarHBondContact O-CG2 3.42Å; P3366-I3369 PolarHBondContact O-N 3.38Å; I3369-S3371 PolarHBondContact O-N 3.45Å; I3369-L3372 HydrophobicContact CG1-CD2 4.34Å; I3369-L3372 CarbonylContact O-C 3.57Å; I3369-L3372 WeakPolarHBondContact O-CA 3.44Å; I3369-L3372 WeakPolarHBondContact O-CB 3.43Å; I3369-L3372 PolarHBondContact O-N 3.49Å; I3369-M3373 HydrophobicContact CG2-CE 4.27Å; I3369-M3373 WeakPolarHBondContact O-CG 3.19Å; I3369-M3373 PolarHBondContact O-N 2.77Å; I3369-I3411 HydrophobicContact CD1-CG2 3.87Å; I3369-I3411 HydrophobicContact CG1-CG2 3.85Å; I3369-A3413 HydrophobicContact CG2-CB 3.44Å; I3369-A3413 VanDerWaalsContact CG2-CB 3.44Å; I3369-V3422 HydrophobicContact CD1-CG2 4.37Å |
| 3370 | V | 85.9 | Confident | 81.8 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -31.5 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | P3366 R3368 L3372 M3373 R3374 A3413 F3415 | P3366-V3370 VanDerWaalsContact O-CG2 3.27Å; P3366-V3370 WeakPolarHBondContact O-CG2 3.33Å; P3366-V3370 PolarHBondContact O-N 3.42Å; R3368-V3370 VanDerWaalsContact C-N 3.33Å; R3368-V3370 PolarHBondContact O-N 2.94Å; V3370-L3372 VanDerWaalsContact C-N 3.34Å; V3370-M3373 HydrophobicContact CG2-SD 4.13Å; V3370-M3373 PolarHBondContact O-N 2.82Å; V3370-R3374 PolarHBondContact O-N 3.1Å; V3370-R3374 VanDerWaalsContact O-N 3.16Å; V3370-A3413 HydrophobicContact CG2-CB 4.02Å; V3370-F3415 HydrophobicContact CG2-CE2 4.18Å; V3370-F3415 HydrophobicContact CG2-CZ 3.95Å |
| 3371 | S | 85.5 | Confident | 82.1 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 171.2 | 79.2 | 0 | 0 | 0 | 0 | 112.1 | S3367 R3368 I3369 R3374 C3375 H3458 Q3462 | S3367-S3371 PolarHBondContact O-N 2.84Å; R3368-S3371 WeakPolarHBondContact O-CB 3.42Å; R3368-S3371 PolarHBondContact O-N 3.29Å; R3368-S3371 PolarHBondContact O-OG 3.28Å; I3369-S3371 PolarHBondContact O-N 3.45Å; S3371-R3374 PolarHBondContact O-N 3.36Å; S3371-C3375 PolarHBondContact O-N 2.78Å; S3371-H3458 PolarHBondContact O-CE1 2.9Å; S3371-H3458 VanDerWaalsContact O-CE1 3.27Å; S3371-H3458 PolarHBondContact OG-NE2 2.7Å; S3371-Q3462 PolarHBondContact OG-NE2 3.38Å; S3371-Q3462 VanDerWaalsContact OG-NE2 3.13Å |
| 3372 | L | 86.7 | Confident | 82.7 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 174.6 | 173.3 | 65.7 | 0 | 0 | 0 | 110.9 | R3368 I3369 V3370 R3374 C3375 V3376 A3455 H3458 F3459 | R3368-L3372 PolarHBondContact O-N 3.37Å; I3369-L3372 HydrophobicContact CG1-CD2 4.34Å; I3369-L3372 CarbonylContact O-C 3.57Å; I3369-L3372 WeakPolarHBondContact O-CA 3.44Å; I3369-L3372 WeakPolarHBondContact O-CB 3.43Å; I3369-L3372 PolarHBondContact O-N 3.49Å; V3370-L3372 VanDerWaalsContact C-N 3.34Å; L3372-R3374 PolarHBondContact O-N 2.84Å; L3372-C3375 WeakPolarHBondContact O-CB 3.34Å; L3372-C3375 PolarHBondContact O-N 2.84Å; L3372-V3376 HydrophobicContact CD1-CG2 3.87Å; L3372-V3376 HydrophobicContact CG-CG2 4.09Å; L3372-V3376 WeakPolarHBondContact O-CG2 3.34Å; L3372-V3376 PolarHBondContact O-N 3.47Å; L3372-A3455 HydrophobicContact CD1-CB 3.91Å; L3372-A3455 HydrophobicContact CD2-CB 4.43Å; L3372-H3458 HydrophobicContact CD1-CB 3.87Å; L3372-H3458 PolarHBondContact N-NE2 3.36Å; L3372-F3459 HydrophobicContact CD2-CZ 4.16Å |
| 3373 | M | 88.5 | Confident | 83.6 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.4 | -44.1 | 175.3 | -71.3 | 175.6 | 170.2 | 0 | 0 | 111.1 | I3369 V3370 C3375 V3376 Q3377 Y3386 L3397 I3411 A3413 | I3369-M3373 HydrophobicContact CG2-CE 4.27Å; I3369-M3373 WeakPolarHBondContact O-CG 3.19Å; I3369-M3373 PolarHBondContact O-N 2.77Å; V3370-M3373 HydrophobicContact CG2-SD 4.13Å; V3370-M3373 PolarHBondContact O-N 2.82Å; M3373-C3375 PolarHBondContact O-N 2.87Å; M3373-V3376 PolarHBondContact O-N 2.81Å; M3373-Q3377 WeakPolarHBondContact O-CB 3.33Å; M3373-Q3377 PolarHBondContact O-N 2.9Å; M3373-Y3386 HydrophobicContact SD-CE2 4.33Å; M3373-L3397 HydrophobicContact CB-CB 4.26Å; M3373-L3397 HydrophobicContact CB-CD2 4.04Å; M3373-L3397 HydrophobicContact CE-CB 4.49Å; M3373-L3397 HydrophobicContact CG-CB 3.93Å; M3373-L3397 HydrophobicContact CG-CD2 4.35Å; M3373-L3397 WeakPolarHBondContact O-CD2 3.34Å; M3373-L3397 HydrophobicContact SD-CB 4.32Å; M3373-I3411 HydrophobicContact CE-CB 3.89Å; M3373-I3411 HydrophobicContact CE-CG2 3.51Å; M3373-I3411 VanDerWaalsContact CE-O 3.25Å; M3373-I3411 WeakPolarHBondContact CE-O 3.47Å; M3373-I3411 HydrophobicContact CG-CB 4.19Å; M3373-I3411 HydrophobicContact CG-CD1 4.35Å; M3373-I3411 HydrophobicContact CG-CG2 3.78Å; M3373-A3413 HydrophobicContact CE-CB 3.79Å |
| 3374 | R | 87 | Confident | 84.3 | Confident | 145 Ų | 145 | 52.2 Ų | 52.2 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 176 | -79 | -176.4 | -111.3 | 117.1 | -4.7 | 113 | V3370 S3371 L3372 Q3378 | V3370-R3374 PolarHBondContact O-N 3.1Å; V3370-R3374 VanDerWaalsContact O-N 3.16Å; S3371-R3374 PolarHBondContact O-N 3.36Å; L3372-R3374 PolarHBondContact O-N 2.84Å; R3374-Q3378 WeakPolarHBondContact O-CG 3.25Å; R3374-Q3378 PolarHBondContact O-N 2.79Å |
| 3375 | C | 86.9 | Confident | 84.8 | Confident | 15 Ų | 15 | 53 Ų | 53 | 10% | 0.101 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | S3371 L3372 M3373 Q3377 Q3378 R3379 H3458 | S3371-C3375 PolarHBondContact O-N 2.78Å; L3372-C3375 WeakPolarHBondContact O-CB 3.34Å; L3372-C3375 PolarHBondContact O-N 2.84Å; M3373-C3375 PolarHBondContact O-N 2.87Å; C3375-Q3377 VanDerWaalsContact C-N 3.34Å; C3375-Q3377 PolarHBondContact O-N 2.85Å; C3375-Q3378 WeakPolarHBondContact O-CB 3.26Å; C3375-Q3378 PolarHBondContact O-N 2.88Å; C3375-R3379 PolarHBondContact O-N 3.19Å; C3375-R3379 VanDerWaalsContact O-N 3.13Å; C3375-H3458 HydrophobicContact CB-CB 4.08Å; C3375-H3458 WeakPolarHBondContact CB-ND1 3.49Å |
| 3376 | V | 87.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.8 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | L3372 M3373 Q3378 R3379 F3380 L3397 V3399 I3411 F3451 T3454 | L3372-V3376 HydrophobicContact CD1-CG2 3.87Å; L3372-V3376 HydrophobicContact CG-CG2 4.09Å; L3372-V3376 WeakPolarHBondContact O-CG2 3.34Å; L3372-V3376 PolarHBondContact O-N 3.47Å; M3373-V3376 PolarHBondContact O-N 2.81Å; V3376-Q3378 VanDerWaalsContact C-N 3.29Å; V3376-Q3378 PolarHBondContact O-N 2.86Å; V3376-R3379 PolarHBondContact O-N 2.98Å; V3376-R3379 VanDerWaalsContact O-N 3.13Å; V3376-F3380 HydrophobicContact CG1-CD2 3.71Å; V3376-F3380 HydrophobicContact CG1-CE2 4.16Å; V3376-F3380 WeakPolarHBondContact O-CD2 3.47Å; V3376-F3380 PolarHBondContact O-N 3.26Å; V3376-L3397 HydrophobicContact CB-CD2 3.9Å; V3376-L3397 HydrophobicContact CG1-CD2 3.82Å; V3376-V3399 HydrophobicContact CG1-CG2 3.86Å; V3376-I3411 HydrophobicContact CB-CD1 4.26Å; V3376-I3411 HydrophobicContact CG1-CD1 4.2Å; V3376-I3411 HydrophobicContact CG2-CD1 4.07Å; V3376-F3451 HydrophobicContact CG1-CD2 4.37Å; V3376-F3451 HydrophobicContact CG1-CE2 4.45Å; V3376-F3451 HydrophobicContact CG2-CD2 4.27Å; V3376-F3451 HydrophobicContact CG2-CE2 3.9Å; V3376-T3454 HydrophobicContact CG2-CG2 4.19Å |
| 3377 | Q | 86.6 | Confident | 85.2 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 175.8 | -172.3 | 177.2 | 17 | 0 | 0 | 112.1 | M3373 C3375 F3380 A3381 L3397 | M3373-Q3377 WeakPolarHBondContact O-CB 3.33Å; M3373-Q3377 PolarHBondContact O-N 2.9Å; C3375-Q3377 VanDerWaalsContact C-N 3.34Å; C3375-Q3377 PolarHBondContact O-N 2.85Å; Q3377-F3380 CarbonylContact O-C 3.52Å; Q3377-A3381 WeakPolarHBondContact O-CA 3.21Å; Q3377-A3381 PolarHBondContact O-N 3.09Å; Q3377-A3381 VanDerWaalsContact O-N 3.1Å; Q3377-L3397 HydrophobicContact CB-CD1 4.13Å; Q3377-L3397 HydrophobicContact CB-CD2 4.36Å; Q3377-L3397 HydrophobicContact CG-CD1 4.32Å |
| 3378 | Q | 86.3 | Confident | 85.3 | Confident | 160 Ų | 160 | 53.1 Ų | 53.1 | 75% | 0.748 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67 | -36.3 | 174.1 | -74.9 | 173.5 | -5.6 | 0 | 0 | 112.5 | R3374 C3375 V3376 | R3374-Q3378 WeakPolarHBondContact O-CG 3.25Å; R3374-Q3378 PolarHBondContact O-N 2.79Å; C3375-Q3378 WeakPolarHBondContact O-CB 3.26Å; C3375-Q3378 PolarHBondContact O-N 2.88Å; V3376-Q3378 VanDerWaalsContact C-N 3.29Å; V3376-Q3378 PolarHBondContact O-N 2.86Å |
| 3379 | R | 85 | Confident | 85.4 | Confident | 155 Ų | 155 | 48.4 Ų | 48.4 | 59% | 0.585 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -72.9 | -45.1 | 177.6 | 177.1 | 61 | -179.5 | 179.6 | 2.8 | 112.3 | C3375 V3376 E3450 T3454 | C3375-R3379 PolarHBondContact O-N 3.19Å; C3375-R3379 VanDerWaalsContact O-N 3.13Å; V3376-R3379 PolarHBondContact O-N 2.98Å; V3376-R3379 VanDerWaalsContact O-N 3.13Å; R3379-E3450 IonicContact CZ-OE1 3.35Å; R3379-E3450 IonicContact NE-OE1 2.97Å; R3379-E3450 PolarHBondContact NE-OE1 3.37Å; R3379-E3450 IonicContact NH2-OE1 2.67Å; R3379-E3450 PolarHBondContact NH2-OE1 2.93Å; R3379-T3454 HydrophobicContact CB-CG2 3.86Å; R3379-T3454 HydrophobicContact CG-CG2 4.11Å |
| 3380 | F | 85.4 | Confident | 85.2 | Confident | 16 Ų | 16 | 56.5 Ų | 56.5 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 44.9 | -177.5 | -59.3 | -83.2 | 0 | 0 | 0 | 111.2 | V3376 Q3377 D3382 N3383 S3384 V3399 F3447 E3450 | V3376-F3380 HydrophobicContact CG1-CD2 3.71Å; V3376-F3380 HydrophobicContact CG1-CE2 4.16Å; V3376-F3380 WeakPolarHBondContact O-CD2 3.47Å; V3376-F3380 PolarHBondContact O-N 3.26Å; Q3377-F3380 CarbonylContact O-C 3.52Å; F3380-D3382 VanDerWaalsContact C-N 3.29Å; F3380-D3382 PolarHBondContact O-N 3.21Å; F3380-N3383 PolarHBondContact O-N 3.21Å; F3380-N3383 VanDerWaalsContact O-N 3.09Å; F3380-S3384 VanDerWaalsContact O-CB 3.25Å; F3380-S3384 WeakPolarHBondContact O-CB 3.25Å; F3380-S3384 PolarHBondContact O-N 3.22Å; F3380-S3384 PolarHBondContact O-OG 3.4Å; F3380-V3399 HydrophobicContact CB-CG1 3.69Å; F3380-V3399 HydrophobicContact CD1-CG1 3.93Å; F3380-V3399 HydrophobicContact CD2-CG1 4.11Å; F3380-V3399 HydrophobicContact CG-CG1 3.65Å; F3380-F3447 HydrophobicContact CE1-CE2 4.16Å; F3380-E3450 HydrophobicContact CE1-CG 4.31Å; F3380-E3450 HydrophobicContact CZ-CB 4.31Å; F3380-E3450 HydrophobicContact CZ-CG 3.89Å |
| 3381 | A | 78.5 | Confident | 85.1 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 50% | 0.496 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -42.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q3377 | Q3377-A3381 WeakPolarHBondContact O-CA 3.21Å; Q3377-A3381 PolarHBondContact O-N 3.09Å; Q3377-A3381 VanDerWaalsContact O-N 3.1Å |
| 3382 | D | 79.1 | Confident | 84.9 | Confident | 124 Ų | 124 | 62 Ų | 62 | 66% | 0.663 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -25.9 | -177.9 | -60.6 | -33 | 0 | 0 | 0 | 113 | F3380 R3385 | F3380-D3382 VanDerWaalsContact C-N 3.29Å; F3380-D3382 PolarHBondContact O-N 3.21Å; D3382-R3385 PolarHBondContact O-NH1 3.02Å |
| 3383 | N | 83.5 | Confident | 84.8 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -1.6 | -169.9 | -61.1 | -23.7 | 0 | 0 | 0 | 114 | F3380 I3400 Q3402 | F3380-N3383 PolarHBondContact O-N 3.21Å; F3380-N3383 VanDerWaalsContact O-N 3.09Å; N3383-I3400 PolarHBondContact O-N 3.38Å; N3383-Q3402 WeakPolarHBondContact ND2-CG 3.49Å; N3383-Q3402 PolarHBondContact ND2-NE2 2.89Å; N3383-Q3402 PolarHBondContact OD1-NE2 2.66Å |
| 3384 | S | 85.5 | Confident | 84.8 | Confident | 8 Ų | 8 | 71.8 Ų | 71.8 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 145.3 | -179.8 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | F3380 V3398 | F3380-S3384 VanDerWaalsContact O-CB 3.25Å; F3380-S3384 WeakPolarHBondContact O-CB 3.25Å; F3380-S3384 PolarHBondContact O-N 3.22Å; F3380-S3384 PolarHBondContact O-OG 3.4Å; S3384-V3398 CarbonylContact C-O 3.57Å; S3384-V3398 WeakPolarHBondContact CA-O 3.28Å |
| 3385 | R | 85.2 | Confident | 85 | Confident | 29 Ų | 29 | 65.9 Ų | 65.9 | 11% | 0.109 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123.2 | 175.6 | -56.1 | -64.7 | 177.1 | -97.4 | -3 | 107.7 | D3382 V3398 I3400 | D3382-R3385 PolarHBondContact O-NH1 3.02Å; R3385-V3398 HydrophobicContact CB-CB 4.34Å; R3385-V3398 PolarHBondContact N-O 3.29Å; R3385-V3398 PolarHBondContact O-N 3.14Å; R3385-I3400 HydrophobicContact CG-CD1 4.31Å |
| 3386 | Y | 85.7 | Confident | 85.1 | Confident | 95 Ų | 95 | 66.4 Ų | 66.4 | 37% | 0.373 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.3 | 177.2 | -177.3 | -96.7 | 0 | 0 | 0 | 108.8 | M3373 C3388 Q3395 L3397 | M3373-Y3386 HydrophobicContact SD-CE2 4.33Å; Y3386-C3388 HydrophobicContact CD1-CB 4.44Å; Y3386-C3388 HydrophobicContact CE1-CB 3.79Å; Y3386-Q3395 HydrophobicContact CE2-CB 4.32Å; Y3386-Q3395 WeakPolarHBondContact OH-CG 3.27Å; Y3386-Q3395 PolarHBondContact OH-OE1 3.26Å; Y3386-L3397 HydrophobicContact CD2-CD1 4.28Å |
| 3387 | I | 86.4 | Confident | 85.2 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.056 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.5 | -176.6 | -54.6 | 173.6 | 0 | 0 | 0 | 107.5 | L3316 I3334 F3336 F3339 Y3396 V3398 | L3316-I3387 HydrophobicContact CD1-CD1 4.17Å; I3334-I3387 HydrophobicContact CG2-CD1 3.87Å; I3334-I3387 HydrophobicContact CG2-CG1 4.49Å; F3336-I3387 HydrophobicContact CD2-CG2 4.15Å; F3339-I3387 HydrophobicContact CB-CD1 4.1Å; F3339-I3387 HydrophobicContact CB-CG2 4.33Å; F3339-I3387 HydrophobicContact CD1-CD1 3.82Å; F3339-I3387 HydrophobicContact CD1-CG2 4.1Å; F3339-I3387 HydrophobicContact CD2-CD1 3.51Å; F3339-I3387 HydrophobicContact CE1-CD1 4.08Å; F3339-I3387 HydrophobicContact CE2-CD1 3.82Å; F3339-I3387 HydrophobicContact CG-CD1 3.52Å; F3339-I3387 HydrophobicContact CG-CG2 4.36Å; F3339-I3387 HydrophobicContact CZ-CD1 4.09Å; I3387-Y3396 PolarHBondContact N-O 3.28Å; I3387-Y3396 PolarHBondContact O-N 3.41Å; I3387-V3398 HydrophobicContact CD1-CG2 4.18Å |
| 3388 | C | 85.4 | Confident | 85.4 | Confident | 43 Ų | 43 | 62.8 Ų | 62.8 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.4 | -175.5 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | Y3386 S3392 | Y3386-C3388 HydrophobicContact CD1-CB 4.44Å; Y3386-C3388 HydrophobicContact CE1-CB 3.79Å; C3388-S3392 VanDerWaalsContact SG-CA 3.6Å |
| 3389 | S | 86.9 | Confident | 85.5 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | trans | -63.9 | 153.8 | 169.5 | 60 | 0 | 0 | 0 | 0 | 110.7 | F3336 D3391 S3392 R3393 K3394 | F3336-S3389 VanDerWaalsContact CD2-CA 3.5Å; S3389-D3391 VanDerWaalsContact CB-OD1 3.24Å; S3389-D3391 WeakPolarHBondContact CB-OD1 3.47Å; S3389-D3391 PolarHBondContact O-N 2.73Å; S3389-D3391 VanDerWaalsContact O-N 3.15Å; S3389-D3391 PolarHBondContact OG-OD1 2.84Å; S3389-S3392 WeakPolarHBondContact O-CA 3.5Å; S3389-S3392 PolarHBondContact O-N 3.21Å; S3389-S3392 PolarHBondContact OG-N 2.94Å; S3389-R3393 PolarHBondContact OG-N 3.11Å; S3389-R3393 VanDerWaalsContact OG-N 3.1Å; S3389-K3394 PolarHBondContact N-O 2.87Å; S3389-K3394 PolarHBondContact OG-N 3.15Å; S3389-K3394 PolarHBondContact OG-O 2.81Å | ||
| 3390 | D | 81.1 | Confident | 85.6 | Confident | 170 Ų | 170 | 48.2 Ų | 48.2 | 91% | 0.909 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -28.2 | -179.5 | -64.7 | -30.2 | 0 | 0 | 0 | 112.6 | ||
| 3391 | D | 84.5 | Confident | 85.5 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 1.6 | 176 | 69.3 | -4.9 | 0 | 0 | 0 | 113.8 | S3389 R3393 | S3389-D3391 VanDerWaalsContact CB-OD1 3.24Å; S3389-D3391 WeakPolarHBondContact CB-OD1 3.47Å; S3389-D3391 PolarHBondContact O-N 2.73Å; S3389-D3391 VanDerWaalsContact O-N 3.15Å; S3389-D3391 PolarHBondContact OG-OD1 2.84Å; D3391-R3393 HydrophobicContact CB-CG 4.28Å; D3391-R3393 VanDerWaalsContact CG-CG 3.48Å; D3391-R3393 PolarHBondContact O-N 3.23Å; D3391-R3393 VanDerWaalsContact O-N 3.13Å; D3391-R3393 WeakPolarHBondContact OD1-CB 3.1Å; D3391-R3393 PolarHBondContact OD1-N 3.4Å; D3391-R3393 WeakPolarHBondContact OD2-CD 3.38Å; D3391-R3393 VanDerWaalsContact OD2-CG 3.27Å; D3391-R3393 WeakPolarHBondContact OD2-CG 3.1Å; D3391-R3393 IonicContact OD2-NE 3.98Å; D3391-R3393 PolarHBondContact OD2-NE 3.28Å |
| 3392 | S | 81.1 | Confident | 85.5 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 48% | 0.476 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 58.9 | 12.2 | -176.4 | 68.3 | 0 | 0 | 0 | 0 | 116.8 | C3388 S3389 Q3395 | C3388-S3392 VanDerWaalsContact SG-CA 3.6Å; S3389-S3392 WeakPolarHBondContact O-CA 3.5Å; S3389-S3392 PolarHBondContact O-N 3.21Å; S3389-S3392 PolarHBondContact OG-N 2.94Å; S3392-Q3395 PolarHBondContact O-NE2 3.49Å; S3392-Q3395 VanDerWaalsContact O-NE2 3.15Å |
| 3393 | R | 85.4 | Confident | 85.6 | Confident | 145 Ų | 145 | 50.8 Ų | 50.8 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -76.6 | -31.6 | -179.3 | -66.5 | -172 | -169.8 | -176.3 | 0.1 | 114 | S3389 D3391 F3415 | S3389-R3393 PolarHBondContact OG-N 3.11Å; S3389-R3393 VanDerWaalsContact OG-N 3.1Å; D3391-R3393 HydrophobicContact CB-CG 4.28Å; D3391-R3393 VanDerWaalsContact CG-CG 3.48Å; D3391-R3393 PolarHBondContact O-N 3.23Å; D3391-R3393 VanDerWaalsContact O-N 3.13Å; D3391-R3393 WeakPolarHBondContact OD1-CB 3.1Å; D3391-R3393 PolarHBondContact OD1-N 3.4Å; D3391-R3393 WeakPolarHBondContact OD2-CD 3.38Å; D3391-R3393 VanDerWaalsContact OD2-CG 3.27Å; D3391-R3393 WeakPolarHBondContact OD2-CG 3.1Å; D3391-R3393 IonicContact OD2-NE 3.98Å; D3391-R3393 PolarHBondContact OD2-NE 3.28Å; R3393-F3415 WeakPolarHBondContact O-CB 3.4Å; R3393-F3415 WeakPolarHBondContact O-CD2 3.28Å; R3393-F3415 PolarHBondContact O-N 3.37Å |
| 3394 | K | 88.3 | Confident | 85.4 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.9 | 176 | -75.1 | 179.9 | 173.3 | -176.6 | 0 | 108.9 | F3336 E3340 S3389 Y3396 D3414 | F3336-K3394 HydrophobicContact CE2-CB 4.09Å; F3336-K3394 HydrophobicContact CZ-CB 4.13Å; F3336-K3394 HydrophobicContact CZ-CD 4.09Å; E3340-K3394 IonicContact OE1-NZ 2.79Å; E3340-K3394 PolarHBondContact OE1-NZ 2.86Å; S3389-K3394 PolarHBondContact N-O 2.87Å; S3389-K3394 PolarHBondContact OG-N 3.15Å; S3389-K3394 PolarHBondContact OG-O 2.81Å; K3394-Y3396 HydrophobicContact CB-CE2 4.15Å; K3394-D3414 WeakPolarHBondContact CE-OD2 3.42Å; K3394-D3414 WeakPolarHBondContact CG-OD2 3.44Å |
| 3395 | Q | 90 | Very high | 85 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.6 | 179.1 | -60.6 | 175.5 | 7.4 | 0 | 0 | 108.3 | Y3386 S3392 S3412 A3413 F3415 | Y3386-Q3395 HydrophobicContact CE2-CB 4.32Å; Y3386-Q3395 WeakPolarHBondContact OH-CG 3.27Å; Y3386-Q3395 PolarHBondContact OH-OE1 3.26Å; S3392-Q3395 PolarHBondContact O-NE2 3.49Å; S3392-Q3395 VanDerWaalsContact O-NE2 3.15Å; Q3395-S3412 WeakPolarHBondContact O-CA 3.4Å; Q3395-A3413 HydrophobicContact CB-CB 4.33Å; Q3395-A3413 PolarHBondContact N-O 3.14Å; Q3395-A3413 PolarHBondContact O-N 2.81Å; Q3395-F3415 HydrophobicContact CG-CE2 4.26Å |
| 3396 | Y | 90.1 | Very high | 84.8 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.3 | 177.7 | -58.2 | -74.1 | 0 | 0 | 0 | 109.2 | F3336 F3339 I3387 K3394 M3410 I3411 | F3336-Y3396 HydrophobicContact CE2-CD2 4.13Å; F3336-Y3396 AromaticContact CE2-CE2 3.7Å; F3336-Y3396 HydrophobicContact CE2-CE2 3.7Å; F3336-Y3396 HydrophobicContact CZ-CE2 4.25Å; F3339-Y3396 HydrophobicContact CD1-CD2 4.15Å; F3339-Y3396 HydrophobicContact CE1-CD1 4.49Å; F3339-Y3396 AromaticContact CE1-CD2 3.85Å; F3339-Y3396 HydrophobicContact CE1-CD2 3.85Å; F3339-Y3396 HydrophobicContact CE1-CE2 4.41Å; F3339-Y3396 AromaticContact CE1-CG 3.88Å; F3339-Y3396 HydrophobicContact CE1-CG 3.88Å; I3387-Y3396 PolarHBondContact N-O 3.28Å; I3387-Y3396 PolarHBondContact O-N 3.41Å; K3394-Y3396 HydrophobicContact CB-CE2 4.15Å; Y3396-M3410 HydrophobicContact CD1-CE 4.49Å; Y3396-M3410 HydrophobicContact CD1-CG 4.19Å; Y3396-M3410 HydrophobicContact CD1-SD 3.78Å; Y3396-M3410 HydrophobicContact CE1-SD 4.19Å; Y3396-I3411 CarbonylContact C-O 3.51Å; Y3396-I3411 VanDerWaalsContact CA-O 3.28Å; Y3396-I3411 WeakPolarHBondContact CA-O 3.2Å |
| 3397 | L | 89.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 112.1 | 163.2 | -175.2 | 75 | 0 | 0 | 0 | 107.7 | M3373 V3376 Q3377 Y3386 V3399 M3410 I3411 | M3373-L3397 HydrophobicContact CB-CB 4.26Å; M3373-L3397 HydrophobicContact CB-CD2 4.04Å; M3373-L3397 HydrophobicContact CE-CB 4.49Å; M3373-L3397 HydrophobicContact CG-CB 3.93Å; M3373-L3397 HydrophobicContact CG-CD2 4.35Å; M3373-L3397 WeakPolarHBondContact O-CD2 3.34Å; M3373-L3397 HydrophobicContact SD-CB 4.32Å; V3376-L3397 HydrophobicContact CB-CD2 3.9Å; V3376-L3397 HydrophobicContact CG1-CD2 3.82Å; Q3377-L3397 HydrophobicContact CB-CD1 4.13Å; Q3377-L3397 HydrophobicContact CB-CD2 4.36Å; Q3377-L3397 HydrophobicContact CG-CD1 4.32Å; Y3386-L3397 HydrophobicContact CD2-CD1 4.28Å; L3397-V3399 HydrophobicContact CD2-CG2 4.31Å; L3397-V3399 HydrophobicContact CG-CG2 4.34Å; L3397-M3410 WeakPolarHBondContact O-CA 3.31Å; L3397-I3411 HydrophobicContact CB-CB 4.22Å; L3397-I3411 HydrophobicContact CD2-CD1 3.96Å; L3397-I3411 PolarHBondContact N-O 3.23Å; L3397-I3411 PolarHBondContact O-N 2.98Å |
| 3398 | V | 89.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 130.6 | 173.4 | 175.8 | 0 | 0 | 0 | 0 | 108.4 | L3316 F3339 S3384 R3385 I3387 I3400 F3408 L3409 | L3316-V3398 HydrophobicContact CD1-CG1 4.19Å; L3316-V3398 HydrophobicContact CD2-CG1 4.31Å; F3339-V3398 HydrophobicContact CE1-CG2 4.36Å; F3339-V3398 HydrophobicContact CE2-CG2 3.71Å; F3339-V3398 HydrophobicContact CZ-CG2 3.44Å; F3339-V3398 VanDerWaalsContact CZ-CG2 3.44Å; S3384-V3398 CarbonylContact C-O 3.57Å; S3384-V3398 WeakPolarHBondContact CA-O 3.28Å; R3385-V3398 HydrophobicContact CB-CB 4.34Å; R3385-V3398 PolarHBondContact N-O 3.29Å; R3385-V3398 PolarHBondContact O-N 3.14Å; I3387-V3398 HydrophobicContact CD1-CG2 4.18Å; V3398-I3400 HydrophobicContact CG1-CG1 4.47Å; V3398-F3408 HydrophobicContact CB-CD2 4.44Å; V3398-F3408 HydrophobicContact CG1-CB 3.98Å; V3398-F3408 HydrophobicContact CG1-CD2 3.44Å; V3398-F3408 VanDerWaalsContact CG1-CD2 3.44Å; V3398-F3408 HydrophobicContact CG1-CE2 3.98Å; V3398-F3408 HydrophobicContact CG1-CG 3.77Å; V3398-F3408 HydrophobicContact CG2-CD2 4.39Å; V3398-F3408 HydrophobicContact CG2-CE2 4.21Å; V3398-L3409 CarbonylContact C-O 3.6Å; V3398-L3409 WeakPolarHBondContact CA-O 3.42Å |
| 3399 | V | 88.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 113.5 | 173.9 | -170.9 | 0 | 0 | 0 | 0 | 107.9 | V3376 F3380 L3397 F3408 L3409 F3447 | V3376-V3399 HydrophobicContact CG1-CG2 3.86Å; F3380-V3399 HydrophobicContact CB-CG1 3.69Å; F3380-V3399 HydrophobicContact CD1-CG1 3.93Å; F3380-V3399 HydrophobicContact CD2-CG1 4.11Å; F3380-V3399 HydrophobicContact CG-CG1 3.65Å; L3397-V3399 HydrophobicContact CD2-CG2 4.31Å; L3397-V3399 HydrophobicContact CG-CG2 4.34Å; V3399-F3408 WeakPolarHBondContact O-CA 3.39Å; V3399-F3408 WeakPolarHBondContact O-CB 3.45Å; V3399-L3409 HydrophobicContact CB-CB 4.28Å; V3399-L3409 HydrophobicContact CB-CD2 4.34Å; V3399-L3409 HydrophobicContact CG2-CD2 4.11Å; V3399-L3409 PolarHBondContact N-O 3.09Å; V3399-L3409 PolarHBondContact O-N 3.13Å; V3399-F3447 HydrophobicContact CB-CZ 4.2Å; V3399-F3447 HydrophobicContact CG1-CE2 4.12Å; V3399-F3447 HydrophobicContact CG1-CZ 3.78Å |
| 3400 | I | 87.2 | Confident | 85.1 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 129.5 | -177.2 | -60.4 | 160 | 0 | 0 | 0 | 108.8 | L3317 N3383 R3385 V3398 Q3402 L3405 | L3317-I3400 HydrophobicContact CD2-CD1 4.33Å; L3317-I3400 HydrophobicContact CD2-CG1 4.26Å; L3317-I3400 HydrophobicContact CD2-CG2 3.53Å; N3383-I3400 PolarHBondContact O-N 3.38Å; R3385-I3400 HydrophobicContact CG-CD1 4.31Å; V3398-I3400 HydrophobicContact CG1-CG1 4.47Å; I3400-Q3402 PolarHBondContact O-N 2.83Å; I3400-L3405 HydrophobicContact CG2-CD2 4.11Å |
| 3401 | N | 84.2 | Confident | 85.5 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -78.3 | 111.6 | 171.4 | -174.8 | -3.6 | 0 | 0 | 0 | 109.3 | D3403 S3404 F3447 | N3401-D3403 VanDerWaalsContact C-N 3.25Å; N3401-D3403 PolarHBondContact O-N 2.97Å; N3401-D3403 PolarHBondContact OD1-N 3.2Å; N3401-D3403 VanDerWaalsContact OD1-N 3.07Å; N3401-S3404 CarbonylContact O-C 3.5Å; N3401-S3404 VanDerWaalsContact O-C 3.26Å; N3401-S3404 PolarHBondContact O-N 2.95Å; N3401-F3447 HydrophobicContact CB-CD1 3.9Å; N3401-F3447 HydrophobicContact CB-CD2 4.42Å; N3401-F3447 HydrophobicContact CB-CE1 3.86Å; N3401-F3447 HydrophobicContact CB-CE2 4.41Å; N3401-F3447 HydrophobicContact CB-CG 4.18Å; N3401-F3447 HydrophobicContact CB-CZ 4.13Å | ||
| 3402 | Q | 79.4 | Confident | 85.7 | Confident | 128 Ų | 128 | 36.7 Ų | 36.7 | 60% | 0.598 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.1 | 179.6 | -77.2 | -172.2 | -6.9 | 0 | 0 | 112.9 | N3383 I3400 S3404 | N3383-Q3402 WeakPolarHBondContact ND2-CG 3.49Å; N3383-Q3402 PolarHBondContact ND2-NE2 2.89Å; N3383-Q3402 PolarHBondContact OD1-NE2 2.66Å; I3400-Q3402 PolarHBondContact O-N 2.83Å; Q3402-S3404 VanDerWaalsContact C-N 3.33Å |
| 3403 | D | 79.5 | Confident | 86 | Confident | 124 Ų | 124 | 33.5 Ų | 33.5 | 66% | 0.663 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -17.5 | -178.1 | -60.8 | -37 | 0 | 0 | 0 | 112.1 | N3401 I3443 | N3401-D3403 VanDerWaalsContact C-N 3.25Å; N3401-D3403 PolarHBondContact O-N 2.97Å; N3401-D3403 PolarHBondContact OD1-N 3.2Å; N3401-D3403 VanDerWaalsContact OD1-N 3.07Å; D3403-I3443 HydrophobicContact CB-CG2 3.29Å |
| 3404 | S | 79.4 | Confident | 86.2 | Confident | 21 Ų | 21 | 27.3 Ų | 27.3 | 15% | 0.147 | 14% | 0.14 | C | C | . | . | trans | -151.4 | 92.2 | 178 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | N3401 Q3402 D3406 C3407 | N3401-S3404 CarbonylContact O-C 3.5Å; N3401-S3404 VanDerWaalsContact O-C 3.26Å; N3401-S3404 PolarHBondContact O-N 2.95Å; Q3402-S3404 VanDerWaalsContact C-N 3.33Å; S3404-D3406 PolarHBondContact O-N 3.12Å; S3404-C3407 PolarHBondContact O-N 3.31Å; S3404-C3407 PolarHBondContact O-SG 3.43Å | ||
| 3405 | L | 78.7 | Confident | 86.1 | Confident | 73 Ų | 73 | 28.3 Ų | 28.3 | 38% | 0.382 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -6.7 | -177.9 | -58.4 | 177.2 | 0 | 0 | 0 | 114.7 | W3313 L3317 I3400 C3407 | W3313-L3405 PolarHBondContact NE1-O 2.78Å; L3317-L3405 HydrophobicContact CD1-CB 4.05Å; L3317-L3405 HydrophobicContact CD2-CB 4.39Å; L3317-L3405 HydrophobicContact CD2-CD2 4.16Å; I3400-L3405 HydrophobicContact CG2-CD2 4.11Å; L3405-C3407 VanDerWaalsContact C-N 3.3Å |
| 3406 | D | 80.2 | Confident | 85.9 | Confident | 58 Ų | 58 | 30.1 Ų | 30.1 | 31% | 0.31 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2.5 | 176.6 | -64.1 | -42.5 | 0 | 0 | 0 | 113.4 | S3404 K3427 H3430 | S3404-D3406 PolarHBondContact O-N 3.12Å; D3406-K3427 HydrophobicContact CB-CB 4.41Å; D3406-K3427 WeakPolarHBondContact O-CB 3.36Å; D3406-K3427 PolarHBondContact O-N 3.18Å; D3406-H3430 HydrophobicContact CB-CB 4.5Å; D3406-H3430 VanDerWaalsContact CG-CD2 3.4Å; D3406-H3430 IonicContact OD1-CD2 3.93Å; D3406-H3430 IonicContact OD2-CD2 3.94Å; D3406-H3430 IonicContact OD2-NE2 3.16Å |
| 3407 | C | 84.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 151.4 | 173.1 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | S3404 L3405 M3424 C3425 Y3426 | S3404-C3407 PolarHBondContact O-N 3.31Å; S3404-C3407 PolarHBondContact O-SG 3.43Å; L3405-C3407 VanDerWaalsContact C-N 3.3Å; C3407-M3424 HydrophobicContact CB-SD 4.48Å; C3407-C3425 CarbonylContact C-O 3.48Å; C3407-C3425 WeakPolarHBondContact CA-O 3.47Å; C3407-Y3426 HydrophobicContact CB-CD1 3.66Å; C3407-Y3426 HydrophobicContact CB-CE1 3.86Å; C3407-Y3426 HydrophobicContact CB-CG 4.45Å |
| 3408 | F | 88.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151 | 172.3 | 60.8 | -101.5 | 0 | 0 | 0 | 110.7 | W3313 L3316 F3339 V3398 V3399 M3410 M3424 C3425 | W3313-F3408 HydrophobicContact CE3-CE1 4.26Å; W3313-F3408 AromaticContact CH2-CD1 3.55Å; W3313-F3408 HydrophobicContact CH2-CD1 3.55Å; W3313-F3408 AromaticContact CH2-CE1 3.37Å; W3313-F3408 HydrophobicContact CH2-CE1 3.37Å; W3313-F3408 AromaticContact CZ2-CD1 3.85Å; W3313-F3408 HydrophobicContact CZ2-CD1 3.85Å; W3313-F3408 HydrophobicContact CZ2-CE1 4.04Å; W3313-F3408 HydrophobicContact CZ3-CD1 4.14Å; W3313-F3408 AromaticContact CZ3-CE1 3.49Å; W3313-F3408 HydrophobicContact CZ3-CE1 3.49Å; W3313-F3408 VanDerWaalsContact CZ3-CE1 3.49Å; W3313-F3408 HydrophobicContact CZ3-CZ 4.46Å; L3316-F3408 HydrophobicContact CD2-CD1 3.83Å; L3316-F3408 HydrophobicContact CD2-CE1 3.51Å; L3316-F3408 HydrophobicContact CD2-CG 4.49Å; L3316-F3408 HydrophobicContact CD2-CZ 3.94Å; F3339-F3408 HydrophobicContact CE2-CE2 4.46Å; F3339-F3408 HydrophobicContact CE2-CZ 4.27Å; V3398-F3408 HydrophobicContact CB-CD2 4.44Å; V3398-F3408 HydrophobicContact CG1-CB 3.98Å; V3398-F3408 HydrophobicContact CG1-CD2 3.44Å; V3398-F3408 VanDerWaalsContact CG1-CD2 3.44Å; V3398-F3408 HydrophobicContact CG1-CE2 3.98Å; V3398-F3408 HydrophobicContact CG1-CG 3.77Å; V3398-F3408 HydrophobicContact CG2-CD2 4.39Å; V3398-F3408 HydrophobicContact CG2-CE2 4.21Å; V3399-F3408 WeakPolarHBondContact O-CA 3.39Å; V3399-F3408 WeakPolarHBondContact O-CB 3.45Å; F3408-M3410 HydrophobicContact CD2-CB 4.38Å; F3408-M3410 HydrophobicContact CE2-CB 4.21Å; F3408-M3424 VanDerWaalsContact C-SD 3.56Å; F3408-M3424 VanDerWaalsContact O-SD 3.39Å; F3408-C3425 HydrophobicContact CD1-CB 4.32Å; F3408-C3425 HydrophobicContact CD2-CB 3.74Å; F3408-C3425 HydrophobicContact CE1-CB 3.97Å; F3408-C3425 HydrophobicContact CE2-CB 3.35Å; F3408-C3425 VanDerWaalsContact CE2-SG 3.59Å; F3408-C3425 HydrophobicContact CG-CB 4.23Å; F3408-C3425 HydrophobicContact CZ-CB 3.47Å; F3408-C3425 VanDerWaalsContact CZ-CB 3.47Å; F3408-C3425 PolarHBondContact N-O 3Å; F3408-C3425 PolarHBondContact O-N 3.18Å |
| 3409 | L | 87.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 133.2 | 173.9 | 178.6 | 158.5 | 0 | 0 | 0 | 109 | F3351 V3398 V3399 I3411 V3422 M3424 F3447 F3451 | F3351-L3409 HydrophobicContact CE1-CD1 3.84Å; F3351-L3409 HydrophobicContact CE1-CG 4.44Å; F3351-L3409 HydrophobicContact CE2-CD1 4.39Å; F3351-L3409 HydrophobicContact CE2-CG 4.25Å; F3351-L3409 HydrophobicContact CZ-CD1 3.37Å; F3351-L3409 HydrophobicContact CZ-CG 3.67Å; V3398-L3409 CarbonylContact C-O 3.6Å; V3398-L3409 WeakPolarHBondContact CA-O 3.42Å; V3399-L3409 HydrophobicContact CB-CB 4.28Å; V3399-L3409 HydrophobicContact CB-CD2 4.34Å; V3399-L3409 HydrophobicContact CG2-CD2 4.11Å; V3399-L3409 PolarHBondContact N-O 3.09Å; V3399-L3409 PolarHBondContact O-N 3.13Å; L3409-I3411 HydrophobicContact CD2-CD1 4.35Å; L3409-I3411 HydrophobicContact CD2-CG1 3.68Å; L3409-V3422 HydrophobicContact CD2-CG1 4.15Å; L3409-V3422 HydrophobicContact CG-CG1 4.22Å; L3409-M3424 HydrophobicContact CB-CE 4.23Å; L3409-M3424 HydrophobicContact CB-SD 4.26Å; L3409-F3447 HydrophobicContact CB-CE1 3.67Å; L3409-F3447 HydrophobicContact CB-CZ 4.11Å; L3409-F3447 HydrophobicContact CD1-CE1 4.43Å; L3409-F3451 HydrophobicContact CD1-CB 3.61Å; L3409-F3451 HydrophobicContact CD1-CD1 3.95Å; L3409-F3451 HydrophobicContact CD1-CD2 3.52Å; L3409-F3451 HydrophobicContact CD1-CE2 4.18Å; L3409-F3451 HydrophobicContact CD1-CG 3.38Å; L3409-F3451 HydrophobicContact CD2-CD2 4.03Å; L3409-F3451 HydrophobicContact CD2-CE2 4.06Å; L3409-F3451 HydrophobicContact CG-CD2 4.47Å |
| 3410 | M | 90.3 | Very high | 84.6 | Confident | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 121.3 | 177.5 | -174.7 | -173.1 | 69.8 | 0 | 0 | 109.9 | F3339 L3343 L3348 Y3396 L3397 F3408 V3422 S3423 | F3339-M3410 HydrophobicContact CE1-SD 4.4Å; F3339-M3410 HydrophobicContact CZ-SD 4.17Å; L3343-M3410 HydrophobicContact CD1-SD 4.1Å; L3343-M3410 HydrophobicContact CD2-SD 3.77Å; L3348-M3410 HydrophobicContact CD2-CE 3.51Å; Y3396-M3410 HydrophobicContact CD1-CE 4.49Å; Y3396-M3410 HydrophobicContact CD1-CG 4.19Å; Y3396-M3410 HydrophobicContact CD1-SD 3.78Å; Y3396-M3410 HydrophobicContact CE1-SD 4.19Å; L3397-M3410 WeakPolarHBondContact O-CA 3.31Å; F3408-M3410 HydrophobicContact CD2-CB 4.38Å; F3408-M3410 HydrophobicContact CE2-CB 4.21Å; M3410-V3422 CarbonylContact O-C 3.59Å; M3410-V3422 WeakPolarHBondContact O-CA 3.36Å; M3410-S3423 PolarHBondContact N-O 3Å; M3410-S3423 PolarHBondContact O-N 3.37Å |
| 3411 | I | 89.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.8 | 165.4 | -47 | -179.7 | 0 | 0 | 0 | 106.8 | I3369 M3373 V3376 Y3396 L3397 L3409 G3421 V3422 F3451 | I3369-I3411 HydrophobicContact CD1-CG2 3.87Å; I3369-I3411 HydrophobicContact CG1-CG2 3.85Å; M3373-I3411 HydrophobicContact CE-CB 3.89Å; M3373-I3411 HydrophobicContact CE-CG2 3.51Å; M3373-I3411 VanDerWaalsContact CE-O 3.25Å; M3373-I3411 WeakPolarHBondContact CE-O 3.47Å; M3373-I3411 HydrophobicContact CG-CB 4.19Å; M3373-I3411 HydrophobicContact CG-CD1 4.35Å; M3373-I3411 HydrophobicContact CG-CG2 3.78Å; V3376-I3411 HydrophobicContact CB-CD1 4.26Å; V3376-I3411 HydrophobicContact CG1-CD1 4.2Å; V3376-I3411 HydrophobicContact CG2-CD1 4.07Å; Y3396-I3411 CarbonylContact C-O 3.51Å; Y3396-I3411 VanDerWaalsContact CA-O 3.28Å; Y3396-I3411 WeakPolarHBondContact CA-O 3.2Å; L3397-I3411 HydrophobicContact CB-CB 4.22Å; L3397-I3411 HydrophobicContact CD2-CD1 3.96Å; L3397-I3411 PolarHBondContact N-O 3.23Å; L3397-I3411 PolarHBondContact O-N 2.98Å; L3409-I3411 HydrophobicContact CD2-CD1 4.35Å; L3409-I3411 HydrophobicContact CD2-CG1 3.68Å; I3411-G3421 CarbonylContact C-O 3.53Å; I3411-G3421 WeakPolarHBondContact CA-O 3.33Å; I3411-V3422 HydrophobicContact CB-CG2 4.44Å; I3411-V3422 HydrophobicContact CG1-CG1 4.35Å; I3411-V3422 HydrophobicContact CG1-CG2 4.23Å; I3411-V3422 HydrophobicContact CG2-CG2 4.06Å; I3411-F3451 HydrophobicContact CD1-CE2 3.71Å; I3411-F3451 HydrophobicContact CD1-CZ 4.29Å; I3411-F3451 HydrophobicContact CG1-CE2 4.22Å |
| 3412 | S | 89.1 | Confident | 84.5 | Confident | 23 Ų | 23 | 49 Ų | 49 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.9 | 176.6 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | Q3395 S3420 G3421 | Q3395-S3412 WeakPolarHBondContact O-CA 3.4Å; S3412-S3420 WeakPolarHBondContact O-CA 3.35Å; S3412-G3421 PolarHBondContact N-O 3.31Å; S3412-G3421 PolarHBondContact O-N 3.46Å; S3412-G3421 PolarHBondContact OG-O 3.43Å |
| 3413 | A | 88.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 110.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | P3366 I3369 V3370 M3373 Q3395 F3415 | P3366-A3413 HydrophobicContact CB-CB 4.37Å; I3369-A3413 HydrophobicContact CG2-CB 3.44Å; I3369-A3413 VanDerWaalsContact CG2-CB 3.44Å; V3370-A3413 HydrophobicContact CG2-CB 4.02Å; M3373-A3413 HydrophobicContact CE-CB 3.79Å; Q3395-A3413 HydrophobicContact CB-CB 4.33Å; Q3395-A3413 PolarHBondContact N-O 3.14Å; Q3395-A3413 PolarHBondContact O-N 2.81Å; A3413-F3415 HydrophobicContact CB-CE2 4.36Å |
| 3414 | D | 88.8 | Confident | 85.1 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 9% | 0.086 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 111 | 174.8 | -164.4 | -38.4 | 0 | 0 | 0 | 109.4 | P3366 K3394 A3416 D3417 R3418 T3419 | P3366-D3414 WeakPolarHBondContact CG-O 3.32Å; K3394-D3414 WeakPolarHBondContact CE-OD2 3.42Å; K3394-D3414 WeakPolarHBondContact CG-OD2 3.44Å; D3414-A3416 WeakPolarHBondContact OD1-CA 3.48Å; D3414-A3416 VanDerWaalsContact OD1-CB 3.31Å; D3414-A3416 WeakPolarHBondContact OD1-CB 3.24Å; D3414-A3416 PolarHBondContact OD1-N 3.42Å; D3414-D3417 HydrophobicContact CB-CB 4.38Å; D3414-D3417 PolarHBondContact OD1-N 3.28Å; D3414-R3418 CarbonylContact O-C 3.54Å; D3414-R3418 WeakPolarHBondContact O-CA 3.45Å; D3414-R3418 PolarHBondContact O-N 2.75Å; D3414-T3419 PolarHBondContact N-O 3.41Å; D3414-T3419 PolarHBondContact O-N 3.26Å; D3414-T3419 VanDerWaalsContact O-N 3.12Å |
| 3415 | F | 86.9 | Confident | 85.5 | Confident | 85 Ų | 85 | 36.7 Ų | 36.7 | 37% | 0.373 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -21.4 | 178.6 | -71.6 | -91.1 | 0 | 0 | 0 | 112.9 | P3366 V3370 R3393 Q3395 A3413 | P3366-F3415 HydrophobicContact CB-CD1 3.75Å; P3366-F3415 HydrophobicContact CB-CD2 4.32Å; P3366-F3415 HydrophobicContact CB-CE1 3.64Å; P3366-F3415 HydrophobicContact CB-CE2 4.2Å; P3366-F3415 HydrophobicContact CB-CG 4.1Å; P3366-F3415 HydrophobicContact CB-CZ 3.88Å; P3366-F3415 HydrophobicContact CG-CD1 4.5Å; V3370-F3415 HydrophobicContact CG2-CE2 4.18Å; V3370-F3415 HydrophobicContact CG2-CZ 3.95Å; R3393-F3415 WeakPolarHBondContact O-CB 3.4Å; R3393-F3415 WeakPolarHBondContact O-CD2 3.28Å; R3393-F3415 PolarHBondContact O-N 3.37Å; Q3395-F3415 HydrophobicContact CG-CE2 4.26Å; A3413-F3415 HydrophobicContact CB-CE2 4.36Å |
| 3416 | A | 84.8 | Confident | 85.7 | Confident | 59 Ų | 59 | 34.4 Ų | 34.4 | 49% | 0.488 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -50.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D3414 R3418 | D3414-A3416 WeakPolarHBondContact OD1-CA 3.48Å; D3414-A3416 VanDerWaalsContact OD1-CB 3.31Å; D3414-A3416 WeakPolarHBondContact OD1-CB 3.24Å; D3414-A3416 PolarHBondContact OD1-N 3.42Å; A3416-R3418 PolarHBondContact O-N 2.88Å |
| 3417 | D | 82.4 | Confident | 85.7 | Confident | 116 Ų | 116 | 33.9 Ų | 33.9 | 62% | 0.62 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.5 | 179.4 | -69 | -17.2 | 0 | 0 | 0 | 112.5 | D3414 T3419 | D3414-D3417 HydrophobicContact CB-CB 4.38Å; D3414-D3417 PolarHBondContact OD1-N 3.28Å; D3417-T3419 HydrophobicContact CB-CG2 3.94Å; D3417-T3419 PolarHBondContact O-N 3.16Å |
| 3418 | R | 81.7 | Confident | 84.6 | Confident | 210 Ų | 210 | 38.6 Ų | 38.6 | 79% | 0.792 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 29.1 | -171.7 | -56.9 | -174.5 | 178.8 | -164.3 | 0.5 | 112.6 | D3414 A3416 | D3414-R3418 CarbonylContact O-C 3.54Å; D3414-R3418 WeakPolarHBondContact O-CA 3.45Å; D3414-R3418 PolarHBondContact O-N 2.75Å; A3416-R3418 PolarHBondContact O-N 2.88Å |
| 3419 | T | 82.4 | Confident | 83.2 | Confident | 75 Ų | 75 | 47 Ų | 47 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 149.6 | 179.3 | 58.2 | 0 | 0 | 0 | 0 | 110 | D3414 D3417 | D3414-T3419 PolarHBondContact N-O 3.41Å; D3414-T3419 PolarHBondContact O-N 3.26Å; D3414-T3419 VanDerWaalsContact O-N 3.12Å; D3417-T3419 HydrophobicContact CB-CG2 3.94Å; D3417-T3419 PolarHBondContact O-N 3.16Å |
| 3420 | S | 83.4 | Confident | 81.7 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145.7 | 168.8 | 71.1 | 0 | 0 | 0 | 0 | 108.3 | F3364 S3412 | F3364-S3420 PolarHBondContact O-OG 3.34Å; S3412-S3420 WeakPolarHBondContact O-CA 3.35Å |
| 3421 | G | 83.3 | Confident | 79.8 | Confident | 13 Ų | 13 | 51.1 Ų | 51.1 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 156.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I3411 S3412 | I3411-G3421 CarbonylContact C-O 3.53Å; I3411-G3421 WeakPolarHBondContact CA-O 3.33Å; S3412-G3421 PolarHBondContact N-O 3.31Å; S3412-G3421 PolarHBondContact O-N 3.46Å; S3412-G3421 PolarHBondContact OG-O 3.43Å |
| 3422 | V | 85.9 | Confident | 78.2 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126.4 | 168.1 | -172.9 | 0 | 0 | 0 | 0 | 107 | F3351 M3361 I3369 L3409 M3410 I3411 F3451 | F3351-V3422 HydrophobicContact CB-CB 4.38Å; F3351-V3422 VanDerWaalsContact CB-O 3.25Å; F3351-V3422 WeakPolarHBondContact CB-O 3.4Å; F3351-V3422 HydrophobicContact CD1-CB 4.1Å; F3351-V3422 HydrophobicContact CD1-CG1 3.56Å; F3351-V3422 HydrophobicContact CD2-CB 4.35Å; F3351-V3422 HydrophobicContact CD2-CG1 3.84Å; F3351-V3422 WeakPolarHBondContact CD2-O 3.24Å; F3351-V3422 HydrophobicContact CE1-CG1 3.6Å; F3351-V3422 HydrophobicContact CE2-CG1 3.83Å; F3351-V3422 HydrophobicContact CG-CB 4Å; F3351-V3422 HydrophobicContact CG-CG1 3.73Å; F3351-V3422 WeakPolarHBondContact CG-O 3.4Å; F3351-V3422 HydrophobicContact CZ-CG1 3.75Å; F3351-V3422 PolarHBondContact N-O 3.46Å; M3361-V3422 HydrophobicContact CE-CB 3.92Å; M3361-V3422 HydrophobicContact CE-CG2 3.38Å; I3369-V3422 HydrophobicContact CD1-CG2 4.37Å; L3409-V3422 HydrophobicContact CD2-CG1 4.15Å; L3409-V3422 HydrophobicContact CG-CG1 4.22Å; M3410-V3422 CarbonylContact O-C 3.59Å; M3410-V3422 WeakPolarHBondContact O-CA 3.36Å; I3411-V3422 HydrophobicContact CB-CG2 4.44Å; I3411-V3422 HydrophobicContact CG1-CG1 4.35Å; I3411-V3422 HydrophobicContact CG1-CG2 4.23Å; I3411-V3422 HydrophobicContact CG2-CG2 4.06Å; V3422-F3451 HydrophobicContact CG1-CE1 3.97Å; V3422-F3451 HydrophobicContact CG1-CZ 3.84Å; V3422-F3451 HydrophobicContact CG2-CZ 4.08Å |
| 3423 | S | 86.8 | Confident | 76.5 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.7 | -175.6 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | V3349 M3410 | V3349-S3423 CarbonylContact O-C 3.56Å; V3349-S3423 WeakPolarHBondContact O-CA 2.83Å; M3410-S3423 PolarHBondContact N-O 3Å; M3410-S3423 PolarHBondContact O-N 3.37Å |
| 3424 | M | 86.3 | Confident | 74.8 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.6 | 168.8 | -167.1 | 60.9 | 72.8 | 0 | 0 | 107.2 | V3349 F3351 I3354 C3407 F3408 L3409 Y3426 V3444 F3447 | V3349-M3424 PolarHBondContact N-O 3.44Å; V3349-M3424 PolarHBondContact O-N 2.93Å; F3351-M3424 HydrophobicContact CD2-CB 4.48Å; F3351-M3424 HydrophobicContact CE2-CB 3.85Å; F3351-M3424 HydrophobicContact CE2-CE 4.08Å; F3351-M3424 VanDerWaalsContact CE2-N 3.32Å; F3351-M3424 HydrophobicContact CZ-CE 3.9Å; I3354-M3424 HydrophobicContact CD1-CB 4.11Å; C3407-M3424 HydrophobicContact CB-SD 4.48Å; F3408-M3424 VanDerWaalsContact C-SD 3.56Å; F3408-M3424 VanDerWaalsContact O-SD 3.39Å; L3409-M3424 HydrophobicContact CB-CE 4.23Å; L3409-M3424 HydrophobicContact CB-SD 4.26Å; M3424-Y3426 HydrophobicContact CB-CE2 3.9Å; M3424-Y3426 HydrophobicContact CG-CD2 4.43Å; M3424-Y3426 HydrophobicContact CG-CE1 4.18Å; M3424-Y3426 HydrophobicContact CG-CE2 3.66Å; M3424-Y3426 WeakPolarHBondContact CG-OH 3.42Å; M3424-V3444 HydrophobicContact CE-CG1 4.34Å; M3424-F3447 HydrophobicContact CE-CD1 3.96Å; M3424-F3447 HydrophobicContact CE-CE1 4.19Å |
| 3425 | C | 87.1 | Confident | 73.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126.3 | -179.4 | -61.6 | 0 | 0 | 0 | 0 | 109.1 | C3407 F3408 | C3407-C3425 CarbonylContact C-O 3.48Å; C3407-C3425 WeakPolarHBondContact CA-O 3.47Å; F3408-C3425 HydrophobicContact CD1-CB 4.32Å; F3408-C3425 HydrophobicContact CD2-CB 3.74Å; F3408-C3425 HydrophobicContact CE1-CB 3.97Å; F3408-C3425 HydrophobicContact CE2-CB 3.35Å; F3408-C3425 VanDerWaalsContact CE2-SG 3.59Å; F3408-C3425 HydrophobicContact CG-CB 4.23Å; F3408-C3425 HydrophobicContact CZ-CB 3.47Å; F3408-C3425 VanDerWaalsContact CZ-CB 3.47Å; F3408-C3425 PolarHBondContact N-O 3Å; F3408-C3425 PolarHBondContact O-N 3.18Å |
| 3426 | Y | 83.1 | Confident | 71.7 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.4 | 178.4 | -62 | -87.5 | 0 | 0 | 0 | 110.7 | R3347 V3349 C3407 M3424 A3431 I3434 | R3347-Y3426 PolarHBondContact N-O 3.33Å; R3347-Y3426 VanDerWaalsContact N-O 3.12Å; R3347-Y3426 PolarHBondContact O-N 3.24Å; V3349-Y3426 HydrophobicContact CB-CE2 4.03Å; V3349-Y3426 HydrophobicContact CG2-CD2 3.87Å; V3349-Y3426 HydrophobicContact CG2-CE2 3.66Å; C3407-Y3426 HydrophobicContact CB-CD1 3.66Å; C3407-Y3426 HydrophobicContact CB-CE1 3.86Å; C3407-Y3426 HydrophobicContact CB-CG 4.45Å; M3424-Y3426 HydrophobicContact CB-CE2 3.9Å; M3424-Y3426 HydrophobicContact CG-CD2 4.43Å; M3424-Y3426 HydrophobicContact CG-CE1 4.18Å; M3424-Y3426 HydrophobicContact CG-CE2 3.66Å; M3424-Y3426 WeakPolarHBondContact CG-OH 3.42Å; Y3426-A3431 HydrophobicContact CD2-CB 4.43Å; Y3426-A3431 HydrophobicContact CG-CB 4.16Å; Y3426-I3434 HydrophobicContact CD1-CD1 3.59Å; Y3426-I3434 HydrophobicContact CE1-CD1 3.65Å |
| 3427 | K | 79.5 | Confident | 70.2 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 20% | 0.204 | 35% | 0.351 | C | S | . | . | trans | -63.6 | 133.7 | 165.3 | -158.2 | 173.7 | -177.7 | 178.4 | 0 | 108.6 | D3310 W3313 D3406 H3430 | D3310-K3427 WeakPolarHBondContact OD1-CE 3.3Å; D3310-K3427 IonicContact OD1-NZ 3.76Å; D3310-K3427 PolarHBondContact OD1-NZ 3.35Å; W3313-K3427 HydrophobicContact CD2-CB 4.39Å; W3313-K3427 HydrophobicContact CD2-CD 3.91Å; W3313-K3427 HydrophobicContact CD2-CG 4.02Å; W3313-K3427 HydrophobicContact CE3-CB 4.35Å; W3313-K3427 HydrophobicContact CE3-CD 4.46Å; W3313-K3427 HydrophobicContact CE3-CG 4.07Å; W3313-K3427 HydrophobicContact CG-CD 4.1Å; W3313-K3427 HydrophobicContact CH2-CB 3.72Å; W3313-K3427 HydrophobicContact CH2-CG 4.34Å; W3313-K3427 HydrophobicContact CZ2-CB 3.74Å; W3313-K3427 HydrophobicContact CZ2-CD 4.36Å; W3313-K3427 HydrophobicContact CZ2-CG 4.27Å; W3313-K3427 HydrophobicContact CZ3-CB 4.03Å; W3313-K3427 HydrophobicContact CZ3-CG 4.24Å; D3406-K3427 HydrophobicContact CB-CB 4.41Å; D3406-K3427 WeakPolarHBondContact O-CB 3.36Å; D3406-K3427 PolarHBondContact O-N 3.18Å; K3427-H3430 PolarHBondContact O-N 3.29Å | ||
| 3428 | N | 62.3 | Low | 69 | Low | 100 Ų | 100 | 65.5 Ų | 65.5 | 54% | 0.535 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 153.9 | -174.9 | -97.9 | -5.1 | 0 | 0 | 0 | 113.2 | S3345 H3430 | S3345-N3428 PolarHBondContact O-ND2 3.33Å; S3345-N3428 PolarHBondContact O-OD1 2.86Å; N3428-H3430 PolarHBondContact O-N 3.49Å; N3428-H3430 VanDerWaalsContact O-N 3.1Å |
| 3429 | E | 58.7 | Low | 67.9 | Low | 176 Ų | 176 | 63 Ų | 63 | 82% | 0.822 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -13 | -166.9 | -62.5 | -165.5 | 168.5 | 0 | 0 | 117.2 | ||
| 3430 | H | 54.5 | Low | 67 | Low | 75 Ų | 75 | 60.9 Ų | 60.9 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -87.4 | -19.3 | 177.4 | -75.8 | -29.2 | 0 | 0 | 0 | 115.9 | D3406 K3427 N3428 D3432 A3433 I3434 | D3406-H3430 HydrophobicContact CB-CB 4.5Å; D3406-H3430 VanDerWaalsContact CG-CD2 3.4Å; D3406-H3430 IonicContact OD1-CD2 3.93Å; D3406-H3430 IonicContact OD2-CD2 3.94Å; D3406-H3430 IonicContact OD2-NE2 3.16Å; K3427-H3430 PolarHBondContact O-N 3.29Å; N3428-H3430 PolarHBondContact O-N 3.49Å; N3428-H3430 VanDerWaalsContact O-N 3.1Å; H3430-D3432 VanDerWaalsContact C-N 3.27Å; H3430-D3432 PolarHBondContact O-N 2.83Å; H3430-A3433 PolarHBondContact O-N 2.76Å; H3430-I3434 HydrophobicContact CB-CD1 4.47Å; H3430-I3434 VanDerWaalsContact O-CG1 3.29Å; H3430-I3434 WeakPolarHBondContact O-CG1 3.42Å; H3430-I3434 PolarHBondContact O-N 2.79Å |
| 3431 | A | 51.8 | Low | 66.2 | Low | 20 Ų | 20 | 65.9 Ų | 65.9 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.1 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y3426 | Y3426-A3431 HydrophobicContact CD2-CB 4.43Å; Y3426-A3431 HydrophobicContact CG-CB 4.16Å |
| 3432 | D | 55.4 | Low | 65.8 | Low | 105 Ų | 105 | 70.5 Ų | 70.5 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -78 | -30.1 | 178.1 | -61.5 | -23.8 | 0 | 0 | 0 | 111.6 | R3347 H3430 | R3347-D3432 IonicContact CZ-OD1 3.8Å; R3347-D3432 IonicContact NH1-OD1 3.03Å; R3347-D3432 PolarHBondContact NH1-OD1 3.41Å; H3430-D3432 VanDerWaalsContact C-N 3.27Å; H3430-D3432 PolarHBondContact O-N 2.83Å |
| 3433 | A | 52.4 | Low | 65.3 | Low | 43 Ų | 43 | 73.2 Ų | 73.2 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.5 | -41.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | H3430 G3435 Q3436 M3437 | H3430-A3433 PolarHBondContact O-N 2.76Å; A3433-G3435 PolarHBondContact O-N 3.03Å; A3433-Q3436 PolarHBondContact O-N 3.01Å; A3433-M3437 PolarHBondContact O-N 2.7Å |
| 3434 | I | 53.9 | Low | 64.7 | Low | 20 Ų | 20 | 72.9 Ų | 72.9 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.9 | -31.5 | 177.3 | -66.6 | 165.2 | 0 | 0 | 0 | 110.8 | Y3426 H3430 Q3436 S3440 V3444 | Y3426-I3434 HydrophobicContact CD1-CD1 3.59Å; Y3426-I3434 HydrophobicContact CE1-CD1 3.65Å; H3430-I3434 HydrophobicContact CB-CD1 4.47Å; H3430-I3434 VanDerWaalsContact O-CG1 3.29Å; H3430-I3434 WeakPolarHBondContact O-CG1 3.42Å; H3430-I3434 PolarHBondContact O-N 2.79Å; I3434-Q3436 VanDerWaalsContact C-N 3.28Å; I3434-Q3436 PolarHBondContact O-N 3.24Å; I3434-S3440 PolarHBondContact O-OG 3.1Å; I3434-V3444 HydrophobicContact CG2-CG2 4.33Å |
| 3435 | G | 55.1 | Low | 64.4 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 58% | 0.577 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.5 | -26.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A3433 | A3433-G3435 PolarHBondContact O-N 3.03Å |
| 3436 | Q | 55 | Low | 64.1 | Low | 160 Ų | 160 | 77.3 Ų | 77.3 | 75% | 0.748 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -90.5 | -24.8 | -177.1 | -67.8 | -178.6 | 17.2 | 0 | 0 | 113.5 | A3433 I3434 | A3433-Q3436 PolarHBondContact O-N 3.01Å; I3434-Q3436 VanDerWaalsContact C-N 3.28Å; I3434-Q3436 PolarHBondContact O-N 3.24Å |
| 3437 | M | 52.2 | Low | 64.1 | Low | 126 Ų | 126 | 76.8 Ų | 76.8 | 62% | 0.621 | 42% | 0.419 | S | S | * | . | trans | -100.9 | 111.3 | -178.4 | -80.1 | -77.2 | 157.6 | 0 | 0 | 110.8 | A3433 Q3439 S3440 K3441 | A3433-M3437 PolarHBondContact O-N 2.7Å; M3437-Q3439 VanDerWaalsContact C-N 3.29Å; M3437-Q3439 PolarHBondContact O-N 3.45Å; M3437-S3440 VanDerWaalsContact CB-OG 3.23Å; M3437-S3440 WeakPolarHBondContact CB-OG 3.41Å; M3437-S3440 PolarHBondContact O-N 2.88Å; M3437-S3440 PolarHBondContact O-OG 3.13Å; M3437-K3441 PolarHBondContact O-N 3.5Å | ||
| 3438 | P | 58.8 | Low | 64.1 | Low | 92 Ų | 92 | 75.5 Ų | 75.5 | 60% | 0.597 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61 | -36.8 | -176.8 | 18.8 | -28.4 | 0 | 0 | 0 | 112.7 | S3440 K3441 D3442 | P3438-S3440 PolarHBondContact O-N 2.91Å; P3438-K3441 WeakPolarHBondContact O-CB 3.19Å; P3438-K3441 PolarHBondContact O-N 2.83Å; P3438-D3442 PolarHBondContact O-N 2.86Å; P3438-D3442 VanDerWaalsContact O-N 3.14Å |
| 3439 | Q | 57 | Low | 65.1 | Low | 158 Ų | 158 | 76.7 Ų | 76.7 | 74% | 0.738 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.1 | -39.2 | 179 | -68.6 | -176.6 | -15.4 | 0 | 0 | 113.2 | M3437 K3441 I3443 | M3437-Q3439 VanDerWaalsContact C-N 3.29Å; M3437-Q3439 PolarHBondContact O-N 3.45Å; Q3439-K3441 VanDerWaalsContact C-N 3.31Å; Q3439-I3443 WeakPolarHBondContact O-CG1 3.41Å; Q3439-I3443 PolarHBondContact O-N 3.19Å |
| 3440 | S | 63.8 | Low | 66.3 | Low | 29 Ų | 29 | 71.7 Ų | 71.7 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.9 | -31.9 | 176.8 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | I3434 M3437 P3438 V3444 | I3434-S3440 PolarHBondContact O-OG 3.1Å; M3437-S3440 VanDerWaalsContact CB-OG 3.23Å; M3437-S3440 WeakPolarHBondContact CB-OG 3.41Å; M3437-S3440 PolarHBondContact O-N 2.88Å; M3437-S3440 PolarHBondContact O-OG 3.13Å; P3438-S3440 PolarHBondContact O-N 2.91Å; S3440-V3444 WeakPolarHBondContact O-CG2 3.31Å; S3440-V3444 PolarHBondContact O-N 3.36Å |
| 3441 | K | 68.1 | Low | 67.8 | Low | 113 Ų | 113 | 68.2 Ų | 68.2 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.3 | -39.7 | 178.3 | -162.3 | 175.2 | -178.2 | 176.6 | 0 | 111.5 | M3437 P3438 Q3439 V3444 N3445 | M3437-K3441 PolarHBondContact O-N 3.5Å; P3438-K3441 WeakPolarHBondContact O-CB 3.19Å; P3438-K3441 PolarHBondContact O-N 2.83Å; Q3439-K3441 VanDerWaalsContact C-N 3.31Å; K3441-V3444 PolarHBondContact O-N 2.77Å; K3441-N3445 VanDerWaalsContact O-CB 3.32Å; K3441-N3445 WeakPolarHBondContact O-CB 3.38Å; K3441-N3445 PolarHBondContact O-N 2.92Å; K3441-N3445 PolarHBondContact O-ND2 2.96Å |
| 3442 | D | 74.4 | Confident | 69.3 | Low | 110 Ų | 110 | 69.6 Ų | 69.6 | 59% | 0.588 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.6 | -39.6 | 177.3 | -67.3 | -23.7 | 0 | 0 | 0 | 112.2 | P3438 N3445 G3446 | P3438-D3442 PolarHBondContact O-N 2.86Å; P3438-D3442 VanDerWaalsContact O-N 3.14Å; D3442-N3445 PolarHBondContact O-N 3.03Å; D3442-G3446 PolarHBondContact O-N 3.38Å |
| 3443 | I | 75.5 | Confident | 70.8 | Confident | 67 Ų | 67 | 69.8 Ų | 69.8 | 34% | 0.344 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 175.6 | -67.9 | 167.8 | 0 | 0 | 0 | 111.1 | D3403 Q3439 N3445 G3446 F3447 | D3403-I3443 HydrophobicContact CB-CG2 3.29Å; Q3439-I3443 WeakPolarHBondContact O-CG1 3.41Å; Q3439-I3443 PolarHBondContact O-N 3.19Å; I3443-N3445 VanDerWaalsContact C-N 3.34Å; I3443-N3445 PolarHBondContact O-N 3.45Å; I3443-G3446 PolarHBondContact O-N 2.73Å; I3443-F3447 PolarHBondContact O-N 3.46Å |
| 3444 | V | 74.8 | Confident | 72.5 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 178.8 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | M3424 I3434 S3440 K3441 F3447 F3448 | M3424-V3444 HydrophobicContact CE-CG1 4.34Å; I3434-V3444 HydrophobicContact CG2-CG2 4.33Å; S3440-V3444 WeakPolarHBondContact O-CG2 3.31Å; S3440-V3444 PolarHBondContact O-N 3.36Å; K3441-V3444 PolarHBondContact O-N 2.77Å; V3444-F3447 PolarHBondContact O-N 3.21Å; V3444-F3448 WeakPolarHBondContact O-CB 3.14Å; V3444-F3448 PolarHBondContact O-N 2.97Å |
| 3445 | N | 78.8 | Confident | 73.9 | Confident | 58 Ų | 58 | 67.5 Ų | 67.5 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 176 | -72.4 | -17.3 | 0 | 0 | 0 | 112.1 | K3441 D3442 I3443 F3448 E3449 | K3441-N3445 VanDerWaalsContact O-CB 3.32Å; K3441-N3445 WeakPolarHBondContact O-CB 3.38Å; K3441-N3445 PolarHBondContact O-N 2.92Å; K3441-N3445 PolarHBondContact O-ND2 2.96Å; D3442-N3445 PolarHBondContact O-N 3.03Å; I3443-N3445 VanDerWaalsContact C-N 3.34Å; I3443-N3445 PolarHBondContact O-N 3.45Å; N3445-F3448 WeakPolarHBondContact O-CB 3.3Å; N3445-F3448 PolarHBondContact O-N 3.23Å; N3445-E3449 WeakPolarHBondContact O-CG 3.32Å; N3445-E3449 PolarHBondContact O-N 3.18Å |
| 3446 | G | 81.4 | Confident | 75.3 | Confident | 36 Ų | 36 | 66.7 Ų | 66.7 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D3442 I3443 F3448 E3449 E3450 | D3442-G3446 PolarHBondContact O-N 3.38Å; I3443-G3446 PolarHBondContact O-N 2.73Å; G3446-F3448 VanDerWaalsContact C-N 3.29Å; G3446-F3448 PolarHBondContact O-N 3.09Å; G3446-E3449 PolarHBondContact O-N 2.92Å; G3446-E3450 PolarHBondContact O-N 3.2Å |
| 3447 | F | 82 | Confident | 76.8 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 7% | 0.066 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 173.1 | -179.8 | -119 | 0 | 0 | 0 | 112 | F3380 V3399 N3401 L3409 M3424 I3443 V3444 E3450 F3451 | F3380-F3447 HydrophobicContact CE1-CE2 4.16Å; V3399-F3447 HydrophobicContact CB-CZ 4.2Å; V3399-F3447 HydrophobicContact CG1-CE2 4.12Å; V3399-F3447 HydrophobicContact CG1-CZ 3.78Å; N3401-F3447 HydrophobicContact CB-CD1 3.9Å; N3401-F3447 HydrophobicContact CB-CD2 4.42Å; N3401-F3447 HydrophobicContact CB-CE1 3.86Å; N3401-F3447 HydrophobicContact CB-CE2 4.41Å; N3401-F3447 HydrophobicContact CB-CG 4.18Å; N3401-F3447 HydrophobicContact CB-CZ 4.13Å; L3409-F3447 HydrophobicContact CB-CE1 3.67Å; L3409-F3447 HydrophobicContact CB-CZ 4.11Å; L3409-F3447 HydrophobicContact CD1-CE1 4.43Å; M3424-F3447 HydrophobicContact CE-CD1 3.96Å; M3424-F3447 HydrophobicContact CE-CE1 4.19Å; I3443-F3447 PolarHBondContact O-N 3.46Å; V3444-F3447 PolarHBondContact O-N 3.21Å; F3447-E3450 PolarHBondContact O-N 3.38Å; F3447-F3451 PolarHBondContact O-N 3.49Å |
| 3448 | F | 79.8 | Confident | 78.4 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 9% | 0.088 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 174.5 | 173.7 | -94.5 | 0 | 0 | 0 | 112.5 | F3351 I3354 D3355 I3358 V3444 N3445 G3446 E3450 F3451 V3452 | F3351-F3448 AromaticContact CD1-CD2 3.82Å; F3351-F3448 HydrophobicContact CD1-CD2 3.82Å; F3351-F3448 AromaticContact CD1-CE2 3.33Å; F3351-F3448 HydrophobicContact CD1-CE2 3.33Å; F3351-F3448 HydrophobicContact CD1-CZ 4.43Å; F3351-F3448 AromaticContact CE1-CD2 3.35Å; F3351-F3448 HydrophobicContact CE1-CD2 3.35Å; F3351-F3448 AromaticContact CE1-CE2 3.4Å; F3351-F3448 HydrophobicContact CE1-CE2 3.4Å; F3351-F3448 HydrophobicContact CG-CE2 4.03Å; F3351-F3448 AromaticContact CZ-CD2 3.79Å; F3351-F3448 HydrophobicContact CZ-CD2 3.79Å; F3351-F3448 HydrophobicContact CZ-CE2 4.16Å; I3354-F3448 HydrophobicContact CB-CE2 4.44Å; I3354-F3448 HydrophobicContact CG2-CD2 4.44Å; I3354-F3448 HydrophobicContact CG2-CE2 4.11Å; I3354-F3448 HydrophobicContact CG2-CZ 4.14Å; D3355-F3448 HydrophobicContact CB-CE1 4.3Å; D3355-F3448 HydrophobicContact CB-CZ 3.84Å; I3358-F3448 HydrophobicContact CD1-CE1 4.22Å; I3358-F3448 HydrophobicContact CD1-CE2 4.07Å; I3358-F3448 HydrophobicContact CD1-CZ 3.4Å; V3444-F3448 WeakPolarHBondContact O-CB 3.14Å; V3444-F3448 PolarHBondContact O-N 2.97Å; N3445-F3448 WeakPolarHBondContact O-CB 3.3Å; N3445-F3448 PolarHBondContact O-N 3.23Å; G3446-F3448 VanDerWaalsContact C-N 3.29Å; G3446-F3448 PolarHBondContact O-N 3.09Å; F3448-E3450 VanDerWaalsContact C-N 3.28Å; F3448-E3450 PolarHBondContact O-N 3.18Å; F3448-F3451 WeakPolarHBondContact O-CB 3.41Å; F3448-F3451 PolarHBondContact O-N 2.98Å; F3448-V3452 HydrophobicContact CD1-CG2 4.17Å; F3448-V3452 HydrophobicContact CE1-CG2 3.83Å; F3448-V3452 HydrophobicContact CE2-CG2 4.33Å; F3448-V3452 HydrophobicContact CZ-CG2 3.93Å; F3448-V3452 WeakPolarHBondContact O-CG2 3.45Å; F3448-V3452 PolarHBondContact O-N 3.15Å |
| 3449 | E | 83.5 | Confident | 79.5 | Confident | 125 Ų | 125 | 57 Ų | 57 | 58% | 0.584 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59 | -40.1 | 175.9 | -75.6 | -179.4 | -179.1 | 0 | 0 | 111.7 | N3445 G3446 F3451 V3452 N3453 | N3445-E3449 WeakPolarHBondContact O-CG 3.32Å; N3445-E3449 PolarHBondContact O-N 3.18Å; G3446-E3449 PolarHBondContact O-N 2.92Å; E3449-F3451 PolarHBondContact O-N 3.2Å; E3449-V3452 PolarHBondContact O-N 3.15Å; E3449-N3453 WeakPolarHBondContact O-CB 3.33Å; E3449-N3453 VanDerWaalsContact O-CG 3.26Å; E3449-N3453 PolarHBondContact O-N 3.34Å; E3449-N3453 PolarHBondContact O-ND2 2.78Å; E3449-N3453 VanDerWaalsContact O-ND2 3.16Å |
| 3450 | E | 84.7 | Confident | 80.7 | Confident | 70 Ų | 70 | 58.6 Ų | 58.6 | 33% | 0.327 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.3 | -162.9 | 178.3 | -171.5 | 0 | 0 | 112.3 | R3379 F3380 G3446 F3447 F3448 T3454 | R3379-E3450 IonicContact CZ-OE1 3.35Å; R3379-E3450 IonicContact NE-OE1 2.97Å; R3379-E3450 PolarHBondContact NE-OE1 3.37Å; R3379-E3450 IonicContact NH2-OE1 2.67Å; R3379-E3450 PolarHBondContact NH2-OE1 2.93Å; F3380-E3450 HydrophobicContact CE1-CG 4.31Å; F3380-E3450 HydrophobicContact CZ-CB 4.31Å; F3380-E3450 HydrophobicContact CZ-CG 3.89Å; G3446-E3450 PolarHBondContact O-N 3.2Å; F3447-E3450 PolarHBondContact O-N 3.38Å; F3448-E3450 VanDerWaalsContact C-N 3.28Å; F3448-E3450 PolarHBondContact O-N 3.18Å; E3450-T3454 PolarHBondContact O-N 2.76Å; E3450-T3454 PolarHBondContact O-OG1 3.01Å |
| 3451 | F | 86 | Confident | 81.6 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -48.1 | 172.2 | 170.1 | -97.2 | 0 | 0 | 0 | 111.8 | F3351 M3361 V3376 L3409 I3411 V3422 F3447 F3448 E3449 N3453 T3454 A3455 | F3351-F3451 HydrophobicContact CD1-CD1 4.3Å; F3351-F3451 HydrophobicContact CD1-CE1 4.13Å; F3351-F3451 AromaticContact CE1-CD1 3.61Å; F3351-F3451 HydrophobicContact CE1-CD1 3.61Å; F3351-F3451 AromaticContact CE1-CE1 3.8Å; F3351-F3451 HydrophobicContact CE1-CE1 3.8Å; F3351-F3451 HydrophobicContact CE1-CG 4.42Å; M3361-F3451 HydrophobicContact CE-CE1 4.24Å; M3361-F3451 HydrophobicContact CE-CZ 4.4Å; V3376-F3451 HydrophobicContact CG1-CD2 4.37Å; V3376-F3451 HydrophobicContact CG1-CE2 4.45Å; V3376-F3451 HydrophobicContact CG2-CD2 4.27Å; V3376-F3451 HydrophobicContact CG2-CE2 3.9Å; L3409-F3451 HydrophobicContact CD1-CB 3.61Å; L3409-F3451 HydrophobicContact CD1-CD1 3.95Å; L3409-F3451 HydrophobicContact CD1-CD2 3.52Å; L3409-F3451 HydrophobicContact CD1-CE2 4.18Å; L3409-F3451 HydrophobicContact CD1-CG 3.38Å; L3409-F3451 HydrophobicContact CD2-CD2 4.03Å; L3409-F3451 HydrophobicContact CD2-CE2 4.06Å; L3409-F3451 HydrophobicContact CG-CD2 4.47Å; I3411-F3451 HydrophobicContact CD1-CE2 3.71Å; I3411-F3451 HydrophobicContact CD1-CZ 4.29Å; I3411-F3451 HydrophobicContact CG1-CE2 4.22Å; V3422-F3451 HydrophobicContact CG1-CE1 3.97Å; V3422-F3451 HydrophobicContact CG1-CZ 3.84Å; V3422-F3451 HydrophobicContact CG2-CZ 4.08Å; F3447-F3451 PolarHBondContact O-N 3.49Å; F3448-F3451 WeakPolarHBondContact O-CB 3.41Å; F3448-F3451 PolarHBondContact O-N 2.98Å; E3449-F3451 PolarHBondContact O-N 3.2Å; F3451-N3453 VanDerWaalsContact C-N 3.31Å; F3451-N3453 PolarHBondContact O-N 3.03Å; F3451-T3454 WeakPolarHBondContact O-CB 3.37Å; F3451-T3454 PolarHBondContact O-N 3.46Å; F3451-T3454 VanDerWaalsContact O-N 3.11Å; F3451-A3455 PolarHBondContact O-N 2.92Å |
| 3452 | V | 83.7 | Confident | 82.2 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | -179.5 | 173.2 | 0 | 0 | 0 | 0 | 111 | I3358 F3448 E3449 T3454 A3455 A3456 | I3358-V3452 HydrophobicContact CD1-CG2 3.75Å; F3448-V3452 HydrophobicContact CD1-CG2 4.17Å; F3448-V3452 HydrophobicContact CE1-CG2 3.83Å; F3448-V3452 HydrophobicContact CE2-CG2 4.33Å; F3448-V3452 HydrophobicContact CZ-CG2 3.93Å; F3448-V3452 WeakPolarHBondContact O-CG2 3.45Å; F3448-V3452 PolarHBondContact O-N 3.15Å; E3449-V3452 PolarHBondContact O-N 3.15Å; V3452-T3454 VanDerWaalsContact C-N 3.33Å; V3452-T3454 PolarHBondContact O-N 3.14Å; V3452-A3455 PolarHBondContact O-N 3.49Å; V3452-A3456 WeakPolarHBondContact O-CB 3.48Å; V3452-A3456 PolarHBondContact O-N 3.24Å |
| 3453 | N | 86.9 | Confident | 82.4 | Confident | 109 Ų | 109 | 59.6 Ų | 59.6 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 175.1 | -75.1 | -32.2 | 0 | 0 | 0 | 112.1 | E3449 F3451 A3456 F3457 | E3449-N3453 WeakPolarHBondContact O-CB 3.33Å; E3449-N3453 VanDerWaalsContact O-CG 3.26Å; E3449-N3453 PolarHBondContact O-N 3.34Å; E3449-N3453 PolarHBondContact O-ND2 2.78Å; E3449-N3453 VanDerWaalsContact O-ND2 3.16Å; F3451-N3453 VanDerWaalsContact C-N 3.31Å; F3451-N3453 PolarHBondContact O-N 3.03Å; N3453-A3456 PolarHBondContact O-N 3.37Å; N3453-F3457 WeakPolarHBondContact O-CB 3.34Å; N3453-F3457 PolarHBondContact O-N 3.27Å |
| 3454 | T | 86.4 | Confident | 82.3 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 7% | 0.074 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 176.7 | -54 | 0 | 0 | 0 | 0 | 111.5 | V3376 R3379 E3450 F3451 V3452 F3457 H3458 | V3376-T3454 HydrophobicContact CG2-CG2 4.19Å; R3379-T3454 HydrophobicContact CB-CG2 3.86Å; R3379-T3454 HydrophobicContact CG-CG2 4.11Å; E3450-T3454 PolarHBondContact O-N 2.76Å; E3450-T3454 PolarHBondContact O-OG1 3.01Å; F3451-T3454 WeakPolarHBondContact O-CB 3.37Å; F3451-T3454 PolarHBondContact O-N 3.46Å; F3451-T3454 VanDerWaalsContact O-N 3.11Å; V3452-T3454 VanDerWaalsContact C-N 3.33Å; V3452-T3454 PolarHBondContact O-N 3.14Å; T3454-F3457 PolarHBondContact O-N 2.82Å; T3454-H3458 PolarHBondContact O-N 2.85Å |
| 3455 | A | 83.8 | Confident | 81.6 | Confident | 4 Ų | 4 | 67.3 Ų | 67.3 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L3372 F3451 V3452 F3457 H3458 F3459 | L3372-A3455 HydrophobicContact CD1-CB 3.91Å; L3372-A3455 HydrophobicContact CD2-CB 4.43Å; F3451-A3455 PolarHBondContact O-N 2.92Å; V3452-A3455 PolarHBondContact O-N 3.49Å; A3455-F3457 PolarHBondContact O-N 3.45Å; A3455-H3458 WeakPolarHBondContact O-CB 3.48Å; A3455-H3458 PolarHBondContact O-N 3.14Å; A3455-F3459 HydrophobicContact CB-CE2 4.04Å; A3455-F3459 WeakPolarHBondContact O-CD2 3.45Å; A3455-F3459 WeakPolarHBondContact O-CE2 3.48Å; A3455-F3459 WeakPolarHBondContact O-CG 3.38Å; A3455-F3459 PolarHBondContact O-N 3.32Å |
| 3456 | A | 84.7 | Confident | 80.3 | Confident | 39 Ų | 39 | 78.2 Ų | 78.2 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V3452 N3453 H3458 F3459 W3460 | V3452-A3456 WeakPolarHBondContact O-CB 3.48Å; V3452-A3456 PolarHBondContact O-N 3.24Å; N3453-A3456 PolarHBondContact O-N 3.37Å; A3456-H3458 VanDerWaalsContact C-N 3.33Å; A3456-H3458 PolarHBondContact O-N 3.14Å; A3456-F3459 PolarHBondContact O-N 3.05Å; A3456-F3459 VanDerWaalsContact O-N 3.12Å; A3456-W3460 PolarHBondContact O-N 2.97Å |
| 3457 | F | 86.2 | Confident | 80.3 | Confident | 131 Ų | 131 | 80.3 Ų | 80.3 | 58% | 0.575 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -55.6 | -45.9 | 174.6 | 172.4 | -97.5 | 0 | 0 | 0 | 112.3 | N3453 T3454 A3455 F3459 W3460 T3461 | N3453-F3457 WeakPolarHBondContact O-CB 3.34Å; N3453-F3457 PolarHBondContact O-N 3.27Å; T3454-F3457 PolarHBondContact O-N 2.82Å; A3455-F3457 PolarHBondContact O-N 3.45Å; F3457-F3459 PolarHBondContact O-N 2.85Å; F3457-W3460 PolarHBondContact O-N 3.1Å; F3457-T3461 HydrophobicContact CD1-CG2 4.5Å; F3457-T3461 HydrophobicContact CD2-CG2 4.34Å; F3457-T3461 HydrophobicContact CE1-CG2 4.07Å; F3457-T3461 HydrophobicContact CE2-CG2 3.9Å; F3457-T3461 HydrophobicContact CZ-CG2 3.75Å; F3457-T3461 WeakPolarHBondContact O-CG2 3.38Å; F3457-T3461 PolarHBondContact O-N 3.22Å; F3457-T3461 PolarHBondContact O-OG1 2.93Å |
| 3458 | H | 85.4 | Confident | 80.2 | Confident | 18 Ų | 18 | 83.7 Ų | 83.7 | 8% | 0.083 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 175.1 | -175.8 | 66.6 | 0 | 0 | 0 | 112.6 | S3371 L3372 C3375 T3454 A3455 A3456 T3461 Q3462 | S3371-H3458 PolarHBondContact O-CE1 2.9Å; S3371-H3458 VanDerWaalsContact O-CE1 3.27Å; S3371-H3458 PolarHBondContact OG-NE2 2.7Å; L3372-H3458 HydrophobicContact CD1-CB 3.87Å; L3372-H3458 PolarHBondContact N-NE2 3.36Å; C3375-H3458 HydrophobicContact CB-CB 4.08Å; C3375-H3458 WeakPolarHBondContact CB-ND1 3.49Å; T3454-H3458 PolarHBondContact O-N 2.85Å; A3455-H3458 WeakPolarHBondContact O-CB 3.48Å; A3455-H3458 PolarHBondContact O-N 3.14Å; A3456-H3458 VanDerWaalsContact C-N 3.33Å; A3456-H3458 PolarHBondContact O-N 3.14Å; H3458-T3461 WeakPolarHBondContact CA-OG1 3.4Å; H3458-T3461 PolarHBondContact O-OG1 3.47Å; H3458-Q3462 PolarHBondContact CE1-NE2 3.49Å; H3458-Q3462 PolarHBondContact NE2-NE2 3.41Å; H3458-Q3462 WeakPolarHBondContact O-CG 3.38Å; H3458-Q3462 PolarHBondContact O-N 2.68Å; H3458-Q3462 VanDerWaalsContact O-N 3.14Å |
| 3459 | F | 82.6 | Confident | 80.2 | Confident | 25 Ų | 25 | 87.3 Ų | 87.3 | 11% | 0.11 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -70.5 | -37.6 | 179.3 | -62.9 | -47 | 0 | 0 | 0 | 113 | F3360 M3361 F3364 L3372 A3455 A3456 F3457 Q3462 L3463 | F3360-F3459 HydrophobicContact CE2-CD2 4.3Å; F3360-F3459 AromaticContact CE2-CE2 3.97Å; F3360-F3459 HydrophobicContact CE2-CE2 3.97Å; F3360-F3459 HydrophobicContact CZ-CE2 4.43Å; M3361-F3459 HydrophobicContact SD-CE2 4.35Å; M3361-F3459 HydrophobicContact SD-CZ 4.48Å; F3364-F3459 HydrophobicContact CD2-CE1 4.43Å; F3364-F3459 HydrophobicContact CD2-CZ 4.13Å; F3364-F3459 HydrophobicContact CE1-CE1 4.21Å; F3364-F3459 HydrophobicContact CE1-CZ 4.5Å; F3364-F3459 AromaticContact CE2-CE1 3.55Å; F3364-F3459 HydrophobicContact CE2-CE1 3.55Å; F3364-F3459 AromaticContact CE2-CE2 3.92Å; F3364-F3459 HydrophobicContact CE2-CE2 3.92Å; F3364-F3459 AromaticContact CE2-CZ 3.12Å; F3364-F3459 HydrophobicContact CE2-CZ 3.12Å; F3364-F3459 HydrophobicContact CZ-CD1 4.16Å; F3364-F3459 AromaticContact CZ-CE1 3.41Å; F3364-F3459 HydrophobicContact CZ-CE1 3.41Å; F3364-F3459 VanDerWaalsContact CZ-CE1 3.41Å; F3364-F3459 HydrophobicContact CZ-CE2 4Å; F3364-F3459 AromaticContact CZ-CZ 3.35Å; F3364-F3459 HydrophobicContact CZ-CZ 3.35Å; L3372-F3459 HydrophobicContact CD2-CZ 4.16Å; A3455-F3459 HydrophobicContact CB-CE2 4.04Å; A3455-F3459 WeakPolarHBondContact O-CD2 3.45Å; A3455-F3459 WeakPolarHBondContact O-CE2 3.48Å; A3455-F3459 WeakPolarHBondContact O-CG 3.38Å; A3455-F3459 PolarHBondContact O-N 3.32Å; A3456-F3459 PolarHBondContact O-N 3.05Å; A3456-F3459 VanDerWaalsContact O-N 3.12Å; F3457-F3459 PolarHBondContact O-N 2.85Å; F3459-Q3462 PolarHBondContact O-N 3.03Å; F3459-L3463 PolarHBondContact O-N 3.35Å |
| 3460 | W | 83.2 | Confident | 80 | Confident | 192 Ų | 192 | 85.1 Ų | 85.1 | 73% | 0.727 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.5 | -40.8 | 175.8 | -81.2 | 61.4 | 0 | 0 | 0 | 111.8 | A3456 F3457 Q3462 L3463 L3464 | A3456-W3460 PolarHBondContact O-N 2.97Å; F3457-W3460 PolarHBondContact O-N 3.1Å; W3460-Q3462 VanDerWaalsContact C-N 3.27Å; W3460-Q3462 PolarHBondContact O-N 2.73Å; W3460-L3463 PolarHBondContact O-N 3.16Å; W3460-L3464 PolarHBondContact O-N 3.47Å |
| 3461 | T | 82.1 | Confident | 79.7 | Confident | 43 Ų | 43 | 86 Ų | 86 | 26% | 0.264 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.2 | -28.8 | 175.2 | 47.9 | 0 | 0 | 0 | 0 | 113 | F3457 H3458 L3463 | F3457-T3461 HydrophobicContact CD1-CG2 4.5Å; F3457-T3461 HydrophobicContact CD2-CG2 4.34Å; F3457-T3461 HydrophobicContact CE1-CG2 4.07Å; F3457-T3461 HydrophobicContact CE2-CG2 3.9Å; F3457-T3461 HydrophobicContact CZ-CG2 3.75Å; F3457-T3461 WeakPolarHBondContact O-CG2 3.38Å; F3457-T3461 PolarHBondContact O-N 3.22Å; F3457-T3461 PolarHBondContact O-OG1 2.93Å; H3458-T3461 WeakPolarHBondContact CA-OG1 3.4Å; H3458-T3461 PolarHBondContact O-OG1 3.47Å; T3461-L3463 VanDerWaalsContact C-N 3.31Å |
| 3462 | Q | 79.9 | Confident | 79.3 | Confident | 84 Ų | 84 | 91.6 Ų | 91.6 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.7 | -21.2 | 171.3 | -73.3 | -172.4 | -11.1 | 0 | 0 | 114.2 | S3371 H3458 F3459 W3460 | S3371-Q3462 PolarHBondContact OG-NE2 3.38Å; S3371-Q3462 VanDerWaalsContact OG-NE2 3.13Å; H3458-Q3462 PolarHBondContact CE1-NE2 3.49Å; H3458-Q3462 PolarHBondContact NE2-NE2 3.41Å; H3458-Q3462 WeakPolarHBondContact O-CG 3.38Å; H3458-Q3462 PolarHBondContact O-N 2.68Å; H3458-Q3462 VanDerWaalsContact O-N 3.14Å; F3459-Q3462 PolarHBondContact O-N 3.03Å; W3460-Q3462 VanDerWaalsContact C-N 3.27Å; W3460-Q3462 PolarHBondContact O-N 2.73Å |
| 3463 | L | 79.8 | Confident | 79 | Confident | 145 Ų | 145 | 94.6 Ų | 94.6 | 76% | 0.759 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -87.5 | -21.8 | 177.8 | -70.3 | 170.1 | 0 | 0 | 0 | 112.8 | F3459 W3460 T3461 | F3459-L3463 PolarHBondContact O-N 3.35Å; W3460-L3463 PolarHBondContact O-N 3.16Å; T3461-L3463 VanDerWaalsContact C-N 3.31Å |
| 3464 | L | 72.9 | Confident | 78.4 | Confident | 114 Ų | 114 | 93.5 Ų | 93.5 | 60% | 0.597 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -74.9 | 121 | 176.1 | -70.3 | 166.3 | 0 | 0 | 0 | 108.7 | W3460 Y3466 | W3460-L3464 PolarHBondContact O-N 3.47Å; L3464-Y3466 PolarHBondContact O-N 3.05Å; L3464-Y3466 VanDerWaalsContact O-N 3.1Å |
| 3465 | P | 59.7 | Low | 77.7 | Confident | 123 Ų | 123 | 100.3 Ų | 100.3 | 80% | 0.799 | 48% | 0.482 | S | S | * | . | trans | -62.5 | 117.1 | 173.6 | 25.3 | -30.6 | 0 | 0 | 0 | 108.3 | ||||
| 3466 | Y | 52.1 | Low | 77.1 | Confident | 286 Ų | 286 | 109.1 Ų | 109.1 | 100% | 1.122 | 52% | 0.523 | S | S | * | . | trans | -69.9 | 0 | 163.1 | -102 | -80.3 | 0 | 0 | 0 | 110.6 | L3464 | L3464-Y3466 PolarHBondContact O-N 3.05Å; L3464-Y3466 VanDerWaalsContact O-N 3.1Å |
Retrieved 3,466 of 3,466 residues in 5920.8 ms
(Link to these results)