| 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 | 26.7 | Very low | 70.9 | Confident | 241 Ų | 241 | 89 Ų | 89 | 100% | 1.187 | 44% | 0.435 | S | S | * | . | 0 | 127.5 | 0 | -63.6 | 160.8 | 80.7 | 0 | 0 | 106.9 | |||||
| 2 | V | 40.1 | Very low | 72.3 | Confident | 102 Ų | 102 | 82.2 Ų | 82.2 | 62% | 0.618 | 40% | 0.401 | S | S | * | . | trans | -82.9 | 130.8 | 170.7 | -172.8 | 0 | 0 | 0 | 0 | 107.6 | K4 N89 | V2-K4 PolarHBondContact O-N 2.71Å; V2-K4 VanDerWaalsContact O-N 3.08Å; V2-N89 WeakPolarHBondContact CG1-OD1 3.13Å | ||
| 3 | V | 49.3 | Very low | 73.2 | Confident | 115 Ų | 115 | 80.7 Ų | 80.7 | 70% | 0.697 | 40% | 0.404 | S | S | * | . | trans | -73.8 | 101.3 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 108 | Q5 | V3-Q5 HydrophobicContact CG1-CG 4.16Å; V3-Q5 PolarHBondContact O-N 3.42Å | ||
| 4 | K | 60.8 | Low | 73.3 | Confident | 119 Ų | 119 | 83.1 Ų | 83.1 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | trans | -69.8 | 97 | 175.8 | -69.9 | -165.4 | 172.5 | -158.3 | 0 | 109.5 | V2 Y43 I87 | V2-K4 PolarHBondContact O-N 2.71Å; V2-K4 VanDerWaalsContact O-N 3.08Å; K4-Y43 PolarHBondContact NZ-OH 3.24Å; K4-I87 HydrophobicContact CB-CG2 3.91Å; K4-I87 HydrophobicContact CD-CD1 4.45Å; K4-I87 HydrophobicContact CD-CG2 4.21Å; K4-I87 HydrophobicContact CG-CG2 4.23Å | ||
| 5 | Q | 76.2 | Confident | 73 | Confident | 51 Ų | 51 | 87.4 Ų | 87.4 | 24% | 0.238 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 133 | -178.5 | -70.2 | 175.6 | -24.7 | 0 | 0 | 109.8 | V3 F7 H32 I87 V88 | V3-Q5 HydrophobicContact CG1-CG 4.16Å; V3-Q5 PolarHBondContact O-N 3.42Å; Q5-F7 HydrophobicContact CB-CD2 4.17Å; Q5-F7 HydrophobicContact CB-CE2 3.57Å; Q5-F7 HydrophobicContact CB-CZ 4.46Å; Q5-H32 VanDerWaalsContact CD-ND1 3.28Å; Q5-H32 PolarHBondContact NE2-ND1 3.02Å; Q5-H32 VanDerWaalsContact NE2-ND1 3.13Å; Q5-H32 PolarHBondContact OE1-ND1 3.2Å; Q5-I87 WeakPolarHBondContact O-CA 3.27Å; Q5-V88 PolarHBondContact N-O 2.92Å; Q5-V88 PolarHBondContact O-N 2.72Å |
| 6 | K | 84.3 | Confident | 72.3 | Confident | 146 Ų | 146 | 84.4 Ų | 84.4 | 64% | 0.635 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 125.4 | 175.3 | -71 | -177.1 | 178.6 | -180 | 0 | 108.9 | V86 I87 | K6-V86 WeakPolarHBondContact CA-O 3.28Å; K6-I87 HydrophobicContact CG-CG1 4.49Å |
| 7 | F | 86.6 | Confident | 71 | Confident | 3 Ų | 3 | 86.2 Ų | 86.2 | 1% | 0.013 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 150.9 | 173.3 | -69.2 | -103.2 | 0 | 0 | 0 | 109.5 | Q5 H32 I34 D66 I68 N85 V86 V88 | Q5-F7 HydrophobicContact CB-CD2 4.17Å; Q5-F7 HydrophobicContact CB-CE2 3.57Å; Q5-F7 HydrophobicContact CB-CZ 4.46Å; F7-H32 AromaticContact CE1-CD2 3.74Å; F7-H32 AromaticContact CE1-CE1 3.9Å; F7-H32 AromaticContact CE1-NE2 3.5Å; F7-H32 HydrophobicContact CZ-CB 4.44Å; F7-H32 AromaticContact CZ-CD2 3.57Å; F7-H32 AromaticContact CZ-CE1 3.59Å; F7-H32 AromaticContact CZ-CG 3.65Å; F7-H32 AromaticContact CZ-ND1 3.66Å; F7-H32 AromaticContact CZ-NE2 3.56Å; F7-I34 HydrophobicContact CZ-CD1 4.5Å; F7-D66 CarbonylContact C-O 3.51Å; F7-D66 WeakPolarHBondContact CA-O 3.21Å; F7-I68 HydrophobicContact CB-CB 4.22Å; F7-I68 HydrophobicContact CB-CG2 3.74Å; F7-I68 HydrophobicContact CD1-CB 4.46Å; F7-I68 HydrophobicContact CG-CB 4.5Å; F7-I68 HydrophobicContact CG-CG2 4.49Å; F7-N85 WeakPolarHBondContact O-CA 3.31Å; F7-V86 HydrophobicContact CB-CG2 4.2Å; F7-V86 PolarHBondContact N-O 3.42Å; F7-V86 WeakPolarHBondContact O-CG2 3.5Å; F7-V86 PolarHBondContact O-N 3.03Å; F7-V88 HydrophobicContact CB-CG2 4.07Å; F7-V88 HydrophobicContact CD2-CB 3.55Å; F7-V88 HydrophobicContact CD2-CG2 3.34Å; F7-V88 HydrophobicContact CE2-CB 3.7Å; F7-V88 HydrophobicContact CE2-CG1 4.3Å; F7-V88 HydrophobicContact CE2-CG2 3.96Å; F7-V88 HydrophobicContact CG-CG2 3.9Å |
| 8 | K | 87.7 | Confident | 70.1 | Confident | 98 Ų | 98 | 88.6 Ų | 88.6 | 43% | 0.426 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 123.4 | 170.7 | -168.1 | 169.4 | -173.3 | 173.4 | 0 | 109.3 | D66 V67 I68 H83 | K8-D66 PolarHBondContact N-O 3.34Å; K8-V67 HydrophobicContact CB-CG2 4.32Å; K8-V67 WeakPolarHBondContact O-CA 3.49Å; K8-I68 PolarHBondContact O-N 3.43Å; K8-H83 WeakPolarHBondContact CE-O 3.25Å |
| 9 | L | 89.1 | Confident | 69.3 | Low | 0 Ų | 0 | 87.1 Ų | 87.1 | 0% | 0 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 132.8 | -176.1 | -178.1 | 60.1 | 0 | 0 | 0 | 111.8 | Y11 I68 V70 L80 H83 K84 V86 | L9-Y11 HydrophobicContact CD2-CE1 4Å; L9-Y11 HydrophobicContact CG-CD1 4.46Å; L9-Y11 HydrophobicContact CG-CE1 4.25Å; L9-I68 HydrophobicContact CD1-CG2 4.08Å; L9-V70 HydrophobicContact CD1-CB 3.97Å; L9-V70 HydrophobicContact CD1-CG2 3.49Å; L9-V70 VanDerWaalsContact CD1-CG2 3.49Å; L9-L80 HydrophobicContact CD2-CB 3.56Å; L9-L80 HydrophobicContact CD2-CD1 4.32Å; L9-L80 HydrophobicContact CD2-CG 4.49Å; L9-H83 WeakPolarHBondContact O-CA 3.28Å; L9-H83 PolarHBondContact O-N 3.27Å; L9-K84 PolarHBondContact N-O 3.13Å; L9-V86 HydrophobicContact CB-CG1 4.14Å; L9-V86 HydrophobicContact CB-CG2 4.27Å; L9-V86 HydrophobicContact CD2-CG1 4.16Å |
| 10 | H | 88.9 | Confident | 68.5 | Low | 63 Ų | 63 | 84.4 Ų | 84.4 | 29% | 0.292 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 155.4 | 167.1 | -83.4 | -122 | 0 | 0 | 0 | 110.1 | V67 I68 S69 V70 H83 | H10-V67 HydrophobicContact CB-CG1 3.99Å; H10-I68 PolarHBondContact N-O 2.64Å; H10-S69 VanDerWaalsContact O-CA 3.29Å; H10-S69 WeakPolarHBondContact O-CA 3.46Å; H10-V70 PolarHBondContact O-N 3.47Å; H10-H83 AromaticContact CD2-CE1 3.99Å; H10-H83 AromaticContact CD2-ND1 3.59Å; H10-H83 AromaticContact CE1-CE1 3.38Å; H10-H83 PolarHBondContact CE1-CE1 2.96Å; H10-H83 AromaticContact CE1-ND1 3.57Å; H10-H83 AromaticContact ND1-CE1 3.68Å; H10-H83 AromaticContact NE2-CE1 3.54Å; H10-H83 AromaticContact NE2-ND1 3.21Å; H10-H83 PolarHBondContact NE2-ND1 3.47Å |
| 11 | Y | 89.7 | Confident | 68.5 | Low | 41 Ų | 41 | 85.1 Ų | 85.1 | 16% | 0.161 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 150.7 | 170.8 | -60.4 | -10.5 | 0 | 0 | 0 | 110.5 | L9 V70 Q72 A75 H76 L80 Q82 | L9-Y11 HydrophobicContact CD2-CE1 4Å; L9-Y11 HydrophobicContact CG-CD1 4.46Å; L9-Y11 HydrophobicContact CG-CE1 4.25Å; Y11-V70 WeakPolarHBondContact CA-O 3.46Å; Y11-Q72 HydrophobicContact CD2-CB 4.38Å; Y11-Q72 HydrophobicContact CD2-CG 3.78Å; Y11-Q72 HydrophobicContact CE2-CG 4.35Å; Y11-Q72 HydrophobicContact CG-CG 4.39Å; Y11-A75 HydrophobicContact CD1-CB 3.74Å; Y11-A75 HydrophobicContact CE1-CB 3.36Å; Y11-A75 HydrophobicContact CE2-CB 4.48Å; Y11-A75 HydrophobicContact CG-CB 4.5Å; Y11-H76 AromaticContact CE2-CD2 3.96Å; Y11-H76 AromaticContact CE2-NE2 3.64Å; Y11-L80 PolarHBondContact OH-O 3.41Å; Y11-Q82 HydrophobicContact CD1-CB 4.3Å; Y11-Q82 HydrophobicContact CD1-CG 3.99Å; Y11-Q82 HydrophobicContact CD2-CB 4.2Å; Y11-Q82 HydrophobicContact CD2-CG 4Å; Y11-Q82 HydrophobicContact CE1-CB 3.82Å; Y11-Q82 HydrophobicContact CE1-CG 4.04Å; Y11-Q82 HydrophobicContact CE2-CB 3.79Å; Y11-Q82 HydrophobicContact CE2-CG 4.11Å; Y11-Q82 HydrophobicContact CG-CB 4.45Å; Y11-Q82 HydrophobicContact CG-CG 3.94Å; Y11-Q82 PolarHBondContact OH-N 2.91Å |
| 12 | H | 88.1 | Confident | 70.8 | Confident | 7 Ų | 7 | 74.8 Ų | 74.8 | 3% | 0.032 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 155 | 160.4 | 63.9 | -90.2 | 0 | 0 | 0 | 110.3 | T22 S69 V70 E71 Q72 | H12-T22 PolarHBondContact CE1-O 3.27Å; H12-T22 PolarHBondContact NE2-O 3.3Å; H12-S69 PolarHBondContact ND1-OG 2.94Å; H12-V70 VanDerWaalsContact CE1-C 3.41Å; H12-V70 PolarHBondContact N-O 3.18Å; H12-V70 VanDerWaalsContact N-O 3.13Å; H12-V70 PolarHBondContact ND1-O 3.37Å; H12-E71 PolarHBondContact CE1-N 3.15Å; H12-Q72 PolarHBondContact O-N 3.38Å |
| 13 | S | 84.1 | Confident | 72.8 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 44% | 0.441 | 38% | 0.376 | S | S | . | . | trans | -85.5 | 143.4 | 168.1 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | N15 D16 | S13-N15 PolarHBondContact O-N 3.42Å; S13-N15 VanDerWaalsContact O-N 3.14Å; S13-N15 PolarHBondContact OG-N 3.16Å; S13-D16 WeakPolarHBondContact O-CB 3.4Å; S13-D16 PolarHBondContact O-N 3.33Å | ||
| 14 | R | 74 | Confident | 74.6 | Confident | 115 Ų | 115 | 66.3 Ų | 66.3 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.6 | 175.8 | -168.6 | 168.9 | -179.7 | 157.9 | 1.3 | 114 | E71 | R14-E71 HydrophobicContact CB-CG 4.14Š|
| 15 | N | 68.8 | Low | 75.7 | Confident | 147 Ų | 147 | 60.9 Ų | 60.9 | 79% | 0.786 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 32.5 | 172.5 | -65.8 | 24.7 | 0 | 0 | 0 | 111.1 | S13 | S13-N15 PolarHBondContact O-N 3.42Å; S13-N15 VanDerWaalsContact O-N 3.14Å; S13-N15 PolarHBondContact OG-N 3.16Å |
| 16 | D | 61.9 | Low | 76 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | trans | -63.8 | 144.3 | 174.3 | -174.9 | 16.5 | 0 | 0 | 0 | 111 | S13 R18 G19 | S13-D16 WeakPolarHBondContact O-CB 3.4Å; S13-D16 PolarHBondContact O-N 3.33Å; D16-R18 PolarHBondContact O-N 2.71Å; D16-R18 IonicContact OD2-CZ 3.7Å; D16-R18 IonicContact OD2-NE 2.75Å; D16-R18 PolarHBondContact OD2-NE 2.97Å; D16-R18 IonicContact OD2-NH2 3.61Å; D16-R18 PolarHBondContact OD2-NH2 3.2Å; D16-G19 PolarHBondContact O-N 2.94Å | ||
| 17 | S | 51.2 | Low | 75.7 | Confident | 116 Ų | 116 | 51.8 Ų | 51.8 | 81% | 0.811 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | -17.2 | 177.1 | 57.5 | 0 | 0 | 0 | 0 | 116.4 | ||
| 18 | R | 54.8 | Low | 75.1 | Confident | 128 Ų | 128 | 54.7 Ų | 54.7 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -1 | 178.5 | -64.6 | 174.2 | -72.8 | 178.4 | -3 | 114 | D16 F20 | D16-R18 PolarHBondContact O-N 2.71Å; D16-R18 IonicContact OD2-CZ 3.7Å; D16-R18 IonicContact OD2-NE 2.75Å; D16-R18 PolarHBondContact OD2-NE 2.97Å; D16-R18 IonicContact OD2-NH2 3.61Å; D16-R18 PolarHBondContact OD2-NH2 3.2Å; R18-F20 HydrophobicContact CB-CD2 3.7Å; R18-F20 HydrophobicContact CB-CE2 3.38Å; R18-F20 HydrophobicContact CB-CZ 4.02Å; R18-F20 HydrophobicContact CG-CE2 4.28Å |
| 19 | G | 54.1 | Low | 74 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | trans | 79.3 | 14.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116 | D16 V21 | D16-G19 PolarHBondContact O-N 2.94Å; G19-V21 PolarHBondContact O-N 3.49Å | ||
| 20 | F | 54.4 | Low | 72.6 | Confident | 33 Ų | 33 | 56.9 Ų | 56.9 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | trans | -80.5 | 118.7 | -177.7 | -55.8 | -56.4 | 0 | 0 | 0 | 112.4 | R18 I25 D61 | R18-F20 HydrophobicContact CB-CD2 3.7Å; R18-F20 HydrophobicContact CB-CE2 3.38Å; R18-F20 HydrophobicContact CB-CZ 4.02Å; R18-F20 HydrophobicContact CG-CE2 4.28Å; F20-I25 HydrophobicContact CB-CD1 3.68Å; F20-I25 HydrophobicContact CD1-CD1 4.23Å; F20-I25 HydrophobicContact CD2-CD1 3.47Å; F20-I25 VanDerWaalsContact CD2-CD1 3.47Å; F20-I25 HydrophobicContact CE2-CD1 4.1Å; F20-I25 HydrophobicContact CG-CD1 3.54Å; F20-D61 HydrophobicContact CZ-CB 4.4Å | ||
| 21 | V | 67.2 | Low | 71 | Confident | 101 Ų | 101 | 57.4 Ų | 57.4 | 61% | 0.612 | 33% | 0.332 | S | S | * | . | trans | -109.2 | 22.9 | -179.4 | -157 | 0 | 0 | 0 | 0 | 111.9 | G19 | G19-V21 PolarHBondContact O-N 3.49Š| ||
| 22 | T | 75.1 | Confident | 69.8 | Low | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -110.2 | 137.4 | -168.1 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | H12 V24 T56 T57 | H12-T22 PolarHBondContact CE1-O 3.27Å; H12-T22 PolarHBondContact NE2-O 3.3Å; T22-V24 PolarHBondContact O-N 2.64Å; T22-V24 VanDerWaalsContact O-N 3.08Å; T22-T56 WeakPolarHBondContact CG2-OG1 3.49Å; T22-T57 HydrophobicContact CG2-CG2 4.04Å |
| 23 | D | 82 | Confident | 69.2 | Low | 38 Ų | 38 | 63.8 Ų | 63.8 | 20% | 0.203 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -53.8 | -31.6 | -179.5 | -67.2 | -8.4 | 0 | 0 | 0 | 114.5 | F53 E71 L74 K131 | D23-F53 HydrophobicContact CB-CD1 4.33Å; D23-E71 PolarHBondContact O-N 3.13Å; D23-L74 HydrophobicContact CB-CD1 3.57Å; D23-K131 IonicContact OD2-NZ 3.81Å; D23-K131 PolarHBondContact OD2-NZ 3.05Å |
| 24 | V | 86.8 | Confident | 68.9 | Low | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 147.9 | -179.5 | 144.1 | 0 | 0 | 0 | 0 | 111.2 | T22 I26 I40 F53 I68 S69 V70 | T22-V24 PolarHBondContact O-N 2.64Å; T22-V24 VanDerWaalsContact O-N 3.08Å; V24-I26 HydrophobicContact CG1-CD1 4.09Å; V24-I26 HydrophobicContact CG1-CG1 3.85Å; V24-I40 HydrophobicContact CG1-CD1 4.31Å; V24-F53 HydrophobicContact CB-CB 4.15Å; V24-F53 HydrophobicContact CB-CD1 4.41Å; V24-F53 HydrophobicContact CB-CG 4.37Å; V24-F53 HydrophobicContact CG2-CB 3.76Å; V24-F53 HydrophobicContact CG2-CD1 3.57Å; V24-F53 HydrophobicContact CG2-CD2 3.98Å; V24-F53 HydrophobicContact CG2-CE1 4.1Å; V24-F53 HydrophobicContact CG2-CE2 4.46Å; V24-F53 HydrophobicContact CG2-CG 3.5Å; V24-F53 VanDerWaalsContact CG2-CG 3.5Å; V24-I68 HydrophobicContact CG1-CD1 4.36Å; V24-S69 CarbonylContact C-O 2.95Å; V24-S69 WeakPolarHBondContact CA-O 3.47Å; V24-V70 HydrophobicContact CG2-CB 4.4Å; V24-V70 HydrophobicContact CG2-CG2 3.79Å |
| 25 | I | 84.3 | Confident | 69.3 | Low | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.3 | 172.5 | -43 | 169.9 | 0 | 0 | 0 | 109.2 | F20 L62 S69 | F20-I25 HydrophobicContact CB-CD1 3.68Å; F20-I25 HydrophobicContact CD1-CD1 4.23Å; F20-I25 HydrophobicContact CD2-CD1 3.47Å; F20-I25 VanDerWaalsContact CD2-CD1 3.47Å; F20-I25 HydrophobicContact CE2-CD1 4.1Å; F20-I25 HydrophobicContact CG-CD1 3.54Å; I25-L62 HydrophobicContact CB-CD1 4.21Å; I25-L62 HydrophobicContact CG2-CD1 3.83Å; I25-L62 HydrophobicContact CG2-CG 4.47Å; I25-S69 PolarHBondContact N-O 2.73Å; I25-S69 PolarHBondContact O-N 3.4Å |
| 26 | I | 82.5 | Confident | 70 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.4 | -180 | -55.5 | 171.8 | 0 | 0 | 0 | 109.2 | V24 S28 I34 I40 V55 L58 S59 I68 | V24-I26 HydrophobicContact CG1-CD1 4.09Å; V24-I26 HydrophobicContact CG1-CG1 3.85Å; I26-S28 PolarHBondContact O-N 2.69Å; I26-I34 HydrophobicContact CD1-CD1 4.46Å; I26-I34 HydrophobicContact CD1-CG2 3.96Å; I26-I40 HydrophobicContact CD1-CD1 3.82Å; I26-V55 HydrophobicContact CD1-CG1 4.33Å; I26-V55 HydrophobicContact CD1-CG2 3.73Å; I26-L58 HydrophobicContact CB-CD2 3.97Å; I26-L58 HydrophobicContact CG2-CD2 4.43Å; I26-S59 PolarHBondContact O-N 3.21Å; I26-S59 VanDerWaalsContact O-N 3.11Å; I26-I68 HydrophobicContact CG1-CD1 4.27Å; I26-I68 HydrophobicContact CG1-CG1 4.2Å |
| 27 | S | 78 | Confident | 71.1 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 123.7 | 178.7 | -168.7 | 0 | 0 | 0 | 0 | 111.2 | R29 G30 S59 | S27-R29 PolarHBondContact O-N 3.2Å; S27-G30 PolarHBondContact O-N 3.37Å; S27-S59 WeakPolarHBondContact CA-O 3.01Å |
| 28 | S | 74 | Confident | 72.8 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 44% | 0.441 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.9 | 175.2 | 103.6 | 0 | 0 | 0 | 0 | 113 | I26 S59 D60 | I26-S28 PolarHBondContact O-N 2.69Å; S28-S59 PolarHBondContact N-O 2.69Å; S28-S59 VanDerWaalsContact N-O 3.13Å; S28-D60 WeakPolarHBondContact CB-OD1 3.34Å; S28-D60 PolarHBondContact OG-OD1 3.3Å |
| 29 | R | 66.2 | Low | 74.5 | Confident | 135 Ų | 135 | 48.8 Ų | 48.8 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.8 | -176.1 | -59.4 | -173.7 | 178.5 | -173.2 | 5.3 | 114.3 | S27 D60 R65 | S27-R29 PolarHBondContact O-N 3.2Å; R29-D60 IonicContact CZ-OD2 2.62Å; R29-D60 IonicContact NE-OD1 2.7Å; R29-D60 IonicContact NE-OD2 2.8Å; R29-D60 PolarHBondContact NE-OD2 3.28Å; R29-D60 IonicContact NH2-OD2 3.89Å; R29-D60 PolarHBondContact NH2-OD2 3.26Å; R29-R65 VanDerWaalsContact O-CD 3.28Å; R29-R65 WeakPolarHBondContact O-CD 3.41Å; R29-R65 PolarHBondContact O-NE 3.17Å |
| 30 | G | 58.7 | Low | 76.3 | Confident | 9 Ų | 9 | 46 Ų | 46 | 9% | 0.093 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -81.8 | 136 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | S27 H32 | S27-G30 PolarHBondContact O-N 3.37Å; G30-H32 WeakPolarHBondContact CA-CD2 3.5Å; G30-H32 VanDerWaalsContact CA-NE2 3.33Å; G30-H32 WeakPolarHBondContact CA-NE2 3.43Å; G30-H32 PolarHBondContact O-CD2 3.37Å; G30-H32 PolarHBondContact O-N 3.46Å |
| 31 | G | 55 | Low | 78 | Confident | 75 Ų | 75 | 45.9 Ų | 45.9 | 77% | 0.773 | 27% | 0.268 | S | S | * | . | trans | -75.6 | 55.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 32 | H | 65 | Low | 79.1 | Confident | 32 Ų | 32 | 41 Ų | 41 | 15% | 0.148 | 24% | 0.238 | C | C | . | . | trans | -114 | 130.5 | -172.1 | -43.1 | -68.3 | 0 | 0 | 0 | 109.3 | Q5 F7 G30 I34 D66 | Q5-H32 VanDerWaalsContact CD-ND1 3.28Å; Q5-H32 PolarHBondContact NE2-ND1 3.02Å; Q5-H32 VanDerWaalsContact NE2-ND1 3.13Å; Q5-H32 PolarHBondContact OE1-ND1 3.2Å; F7-H32 AromaticContact CE1-CD2 3.74Å; F7-H32 AromaticContact CE1-CE1 3.9Å; F7-H32 AromaticContact CE1-NE2 3.5Å; F7-H32 HydrophobicContact CZ-CB 4.44Å; F7-H32 AromaticContact CZ-CD2 3.57Å; F7-H32 AromaticContact CZ-CE1 3.59Å; F7-H32 AromaticContact CZ-CG 3.65Å; F7-H32 AromaticContact CZ-ND1 3.66Å; F7-H32 AromaticContact CZ-NE2 3.56Å; G30-H32 WeakPolarHBondContact CA-CD2 3.5Å; G30-H32 VanDerWaalsContact CA-NE2 3.33Å; G30-H32 WeakPolarHBondContact CA-NE2 3.43Å; G30-H32 PolarHBondContact O-CD2 3.37Å; G30-H32 PolarHBondContact O-N 3.46Å; H32-I34 HydrophobicContact CB-CD1 3.93Å; H32-I34 HydrophobicContact CB-CG1 4Å; H32-I34 PolarHBondContact O-N 3.09Å; H32-D66 IonicContact CE1-OD1 2.8Å; H32-D66 IonicContact NE2-OD1 2.86Å | ||
| 33 | N | 74.5 | Confident | 79.9 | Confident | 149 Ų | 149 | 40.9 Ų | 40.9 | 80% | 0.797 | 24% | 0.235 | S | C | * | . | trans | -76.5 | 71.5 | 178.1 | -69.3 | 2.5 | 0 | 0 | 0 | 110.2 | ||||
| 34 | I | 77.9 | Confident | 80.2 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | trans | -131.2 | 111.9 | -177.9 | -53 | 178 | 0 | 0 | 0 | 108 | F7 I26 H32 I40 V55 V88 V90 | F7-I34 HydrophobicContact CZ-CD1 4.5Å; I26-I34 HydrophobicContact CD1-CD1 4.46Å; I26-I34 HydrophobicContact CD1-CG2 3.96Å; H32-I34 HydrophobicContact CB-CD1 3.93Å; H32-I34 HydrophobicContact CB-CG1 4Å; H32-I34 PolarHBondContact O-N 3.09Å; I34-I40 HydrophobicContact CG2-CG2 4.13Å; I34-V55 HydrophobicContact CG2-CG1 4.37Å; I34-V55 HydrophobicContact CG2-CG2 3.78Å; I34-V88 HydrophobicContact CD1-CG1 4.36Å; I34-V90 HydrophobicContact CG1-CG2 3.88Å | ||
| 35 | N | 83.8 | Confident | 80 | Confident | 103 Ų | 103 | 42.7 Ų | 42.7 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | trans | -102.7 | 165.2 | -177.7 | -53.9 | -81.3 | 0 | 0 | 0 | 111.7 | G37 D38 V55 | N35-G37 PolarHBondContact O-N 3.38Å; N35-D38 WeakPolarHBondContact CB-OD2 3.44Å; N35-D38 PolarHBondContact N-OD2 3.23Å; N35-D38 PolarHBondContact ND2-OD2 2.92Å; N35-D38 VanDerWaalsContact ND2-OD2 3.12Å; N35-D38 WeakPolarHBondContact O-CB 3.33Å; N35-D38 PolarHBondContact O-N 3.26Å; N35-V55 WeakPolarHBondContact O-CB 2.94Å; N35-V55 WeakPolarHBondContact O-CG1 3.46Å | ||
| 36 | I | 83.2 | Confident | 79.9 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 128.9 | 166.9 | -61.6 | 173.9 | 0 | 0 | 0 | 108.4 | V55 T56 L58 | I36-V55 WeakPolarHBondContact CA-O 3.46Å; I36-T56 WeakPolarHBondContact CG2-O 3.21Å; I36-L58 HydrophobicContact CG1-CD1 4.3Å; I36-L58 HydrophobicContact CG1-CG 4.1Å |
| 37 | G | 83.7 | Confident | 79.6 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -4.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N35 V55 K93 | N35-G37 PolarHBondContact O-N 3.38Å; G37-V55 PolarHBondContact N-O 3.5Å; G37-K93 WeakPolarHBondContact O-CE 3.27Å; G37-K93 PolarHBondContact O-NZ 3.13Å |
| 38 | D | 88.6 | Confident | 79.5 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | trans | -76.4 | 151.1 | 170.4 | -73.3 | -30.7 | 0 | 0 | 0 | 111.4 | N35 V55 V90 | N35-D38 WeakPolarHBondContact CB-OD2 3.44Å; N35-D38 PolarHBondContact N-OD2 3.23Å; N35-D38 PolarHBondContact ND2-OD2 2.92Å; N35-D38 VanDerWaalsContact ND2-OD2 3.12Å; N35-D38 WeakPolarHBondContact O-CB 3.33Å; N35-D38 PolarHBondContact O-N 3.26Å; D38-V55 PolarHBondContact O-N 3.39Å; D38-V90 HydrophobicContact CB-CG1 4.29Å | ||
| 39 | V | 89.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.4 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | L52 F53 L54 I91 K93 I96 V126 Y156 | V39-L52 HydrophobicContact CG1-CD2 4.49Å; V39-F53 WeakPolarHBondContact CA-O 3.4Å; V39-L54 HydrophobicContact CG2-CD1 3.87Å; V39-I91 PolarHBondContact O-N 3.48Å; V39-K93 HydrophobicContact CG2-CG 4.13Å; V39-I96 HydrophobicContact CB-CD1 3.92Å; V39-I96 HydrophobicContact CG1-CD1 3.4Å; V39-I96 HydrophobicContact CG2-CD1 4.45Å; V39-V126 HydrophobicContact CB-CG2 4.48Å; V39-V126 HydrophobicContact CG1-CG2 3.78Å; V39-V126 HydrophobicContact CG2-CG2 3.82Å; V39-Y156 HydrophobicContact CG2-CD2 3.9Å; V39-Y156 HydrophobicContact CG2-CE2 4.14Å |
| 40 | I | 90.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 140.7 | -180 | 58.7 | 160.3 | 0 | 0 | 0 | 112.3 | V24 I26 I34 V42 L52 F53 V55 I68 V88 N89 V90 | V24-I40 HydrophobicContact CG1-CD1 4.31Å; I26-I40 HydrophobicContact CD1-CD1 3.82Å; I34-I40 HydrophobicContact CG2-CG2 4.13Å; I40-V42 HydrophobicContact CD1-CG2 3.71Å; I40-V42 HydrophobicContact CG1-CG2 4.29Å; I40-L52 WeakPolarHBondContact O-CA 3.45Å; I40-F53 HydrophobicContact CG1-CB 4.08Å; I40-F53 PolarHBondContact N-O 3.38Å; I40-F53 PolarHBondContact O-N 3.04Å; I40-V55 HydrophobicContact CD1-CG2 4.47Å; I40-V55 HydrophobicContact CG1-CG2 4.2Å; I40-V55 HydrophobicContact CG2-CG2 4.06Å; I40-I68 HydrophobicContact CD1-CD1 3.65Å; I40-V88 HydrophobicContact CB-CG1 4.07Å; I40-V88 HydrophobicContact CD1-CG1 3.84Å; I40-V88 HydrophobicContact CG2-CG1 4.18Å; I40-N89 CarbonylContact C-O 3.08Å; I40-N89 VanDerWaalsContact CA-O 3.3Å; I40-N89 WeakPolarHBondContact CA-O 3.22Å; I40-V90 HydrophobicContact CG2-CG2 4.2Å |
| 41 | E | 91.3 | Very high | 82.1 | Confident | 31 Ų | 31 | 54 Ų | 54 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 139 | 156.9 | -137.2 | 171.9 | -173.3 | 0 | 0 | 109.4 | Y43 H50 A51 L52 V88 N89 I91 | E41-Y43 HydrophobicContact CG-CD1 4.05Å; E41-H50 IonicContact OE1-CE1 2.97Å; E41-H50 PolarHBondContact OE1-CE1 2.99Å; E41-H50 IonicContact OE1-CG 2.7Å; E41-H50 IonicContact OE1-ND1 2.72Å; E41-H50 PolarHBondContact OE1-ND1 2.83Å; E41-A51 CarbonylContact C-O 3.55Å; E41-A51 WeakPolarHBondContact CA-O 3.3Å; E41-L52 HydrophobicContact CG-CD2 4.43Å; E41-V88 WeakPolarHBondContact O-CA 3.43Å; E41-N89 HydrophobicContact CB-CB 3.85Å; E41-N89 PolarHBondContact N-O 3Å; E41-N89 PolarHBondContact O-N 2.72Å; E41-N89 PolarHBondContact OE2-ND2 2.84Å; E41-I91 HydrophobicContact CB-CD1 3.69Å; E41-I91 HydrophobicContact CB-CG1 4.08Å; E41-I91 HydrophobicContact CG-CD1 3.75Å |
| 42 | V | 90.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 120.6 | 165.1 | -176.3 | 0 | 0 | 0 | 0 | 107.8 | I40 A51 F53 I68 L80 V86 I87 V88 | I40-V42 HydrophobicContact CD1-CG2 3.71Å; I40-V42 HydrophobicContact CG1-CG2 4.29Å; V42-A51 PolarHBondContact N-O 2.93Å; V42-A51 WeakPolarHBondContact O-CB 3.28Å; V42-A51 PolarHBondContact O-N 3.04Å; V42-F53 HydrophobicContact CB-CD2 4.06Å; V42-F53 HydrophobicContact CB-CE2 3.92Å; V42-F53 HydrophobicContact CG2-CD2 3.66Å; V42-F53 HydrophobicContact CG2-CE2 3.98Å; V42-I68 HydrophobicContact CG2-CD1 3.81Å; V42-L80 HydrophobicContact CG1-CD1 4.13Å; V42-V86 HydrophobicContact CG1-CB 3.84Å; V42-V86 HydrophobicContact CG1-CG1 3.87Å; V42-V86 HydrophobicContact CG1-CG2 3.95Å; V42-I87 WeakPolarHBondContact CA-O 3.19Å; V42-V88 HydrophobicContact CG2-CG2 4.36Å |
| 43 | Y | 90.1 | Very high | 84.8 | Confident | 21 Ų | 21 | 50 Ų | 50 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 154.5 | 179.4 | 72.6 | -82.2 | 0 | 0 | 0 | 110.9 | K4 E41 H50 V86 I87 | K4-Y43 PolarHBondContact NZ-OH 3.24Å; E41-Y43 HydrophobicContact CG-CD1 4.05Å; Y43-H50 AromaticContact CG-ND1 4Å; Y43-V86 CarbonylContact O-C 3.57Å; Y43-V86 WeakPolarHBondContact O-CA 3.46Å; Y43-I87 HydrophobicContact CD1-CB 4.25Å; Y43-I87 HydrophobicContact CD1-CG2 4.42Å; Y43-I87 HydrophobicContact CE1-CB 3.77Å; Y43-I87 HydrophobicContact CE1-CG2 3.61Å; Y43-I87 HydrophobicContact CE2-CB 4.4Å; Y43-I87 HydrophobicContact CE2-CD1 4.12Å; Y43-I87 PolarHBondContact N-O 2.89Å; Y43-I87 PolarHBondContact O-N 2.62Å; Y43-I87 WeakPolarHBondContact OH-CD1 3.44Å |
| 44 | H | 89.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | trans | -84 | 141.6 | 169.6 | -71 | -55.7 | 0 | 0 | 0 | 110 | E46 D47 Q81 N85 V86 | H44-E46 PolarHBondContact O-N 2.88Å; H44-D47 HydrophobicContact CB-CB 4.04Å; H44-D47 WeakPolarHBondContact CB-OD2 3.46Å; H44-D47 IonicContact CD2-OD2 3.27Å; H44-D47 IonicContact CG-OD2 2.75Å; H44-D47 PolarHBondContact O-N 2.6Å; H44-D47 VanDerWaalsContact O-N 3.13Å; H44-Q81 PolarHBondContact NE2-N 2.85Å; H44-N85 PolarHBondContact ND1-O 2.88Å; H44-V86 WeakPolarHBondContact CE1-CG1 3.32Å; H44-V86 WeakPolarHBondContact ND1-CG1 3.18Å | ||
| 45 | P | 83.1 | Confident | 85.8 | Confident | 75 Ų | 75 | 44 Ų | 44 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -9.5 | -176.5 | 27.1 | -36.1 | 0 | 0 | 0 | 115.1 | I87 | P45-I87 HydrophobicContact CB-CD1 3.98Š|
| 46 | E | 81.4 | Confident | 85.7 | Confident | 152 Ų | 152 | 42 Ų | 42 | 71% | 0.71 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -15.7 | -178.4 | -66.5 | 152.3 | -167.4 | 0 | 0 | 112.7 | H44 K84 | H44-E46 PolarHBondContact O-N 2.88Å; E46-K84 WeakPolarHBondContact OE2-CE 3.2Å; E46-K84 IonicContact OE2-NZ 2.68Å; E46-K84 PolarHBondContact OE2-NZ 3.1Å |
| 47 | D | 77.1 | Confident | 85.4 | Confident | 57 Ų | 57 | 39.2 Ų | 39.2 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | trans | -111.8 | 132.5 | -166.9 | -66.3 | -75.8 | 0 | 0 | 0 | 111.1 | H44 H49 K84 | H44-D47 HydrophobicContact CB-CB 4.04Å; H44-D47 WeakPolarHBondContact CB-OD2 3.46Å; H44-D47 IonicContact CD2-OD2 3.27Å; H44-D47 IonicContact CG-OD2 2.75Å; H44-D47 PolarHBondContact O-N 2.6Å; H44-D47 VanDerWaalsContact O-N 3.13Å; D47-H49 PolarHBondContact O-N 3.32Å; D47-K84 IonicContact OD2-NZ 3.36Å; D47-K84 PolarHBondContact OD2-NZ 3.43Å | ||
| 48 | A | 74.9 | Confident | 85.3 | Confident | 93 Ų | 93 | 40.8 Ų | 40.8 | 77% | 0.769 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -75.2 | 13.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 49 | H | 79 | Confident | 84.8 | Confident | 71 Ų | 71 | 39.4 Ų | 39.4 | 33% | 0.329 | 22% | 0.22 | S | C | . | . | trans | -104.5 | 101.3 | -177.6 | -68.1 | -32.7 | 0 | 0 | 0 | 110.5 | D47 K79 | D47-H49 PolarHBondContact O-N 3.32Å; H49-K79 PolarHBondContact NE2-NZ 3.12Å | ||
| 50 | H | 86.1 | Confident | 83.8 | Confident | 82 Ų | 82 | 42.3 Ų | 42.3 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | trans | -91.3 | 130.5 | 175.6 | -66.1 | -124.5 | 0 | 0 | 0 | 109.9 | E41 Y43 | E41-H50 IonicContact OE1-CE1 2.97Å; E41-H50 PolarHBondContact OE1-CE1 2.99Å; E41-H50 IonicContact OE1-CG 2.7Å; E41-H50 IonicContact OE1-ND1 2.72Å; E41-H50 PolarHBondContact OE1-ND1 2.83Å; Y43-H50 AromaticContact CG-ND1 4Å | ||
| 51 | A | 87.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E41 V42 F53 F78 L80 | E41-A51 CarbonylContact C-O 3.55Å; E41-A51 WeakPolarHBondContact CA-O 3.3Å; V42-A51 PolarHBondContact N-O 2.93Å; V42-A51 WeakPolarHBondContact O-CB 3.28Å; V42-A51 PolarHBondContact O-N 3.04Å; A51-F53 HydrophobicContact CB-CD2 4.31Å; A51-F53 HydrophobicContact CB-CE2 3.49Å; A51-F53 VanDerWaalsContact CB-CE2 3.49Å; A51-F53 HydrophobicContact CB-CZ 3.97Å; A51-F78 HydrophobicContact CB-CB 4Å; A51-F78 HydrophobicContact CB-CD1 3.73Å; A51-F78 HydrophobicContact CB-CD2 3.7Å; A51-F78 HydrophobicContact CB-CE1 4.05Å; A51-F78 HydrophobicContact CB-CE2 4.03Å; A51-F78 HydrophobicContact CB-CG 3.54Å; A51-F78 HydrophobicContact CB-CZ 4.18Å; A51-L80 HydrophobicContact CB-CD1 4.38Å |
| 52 | L | 89 | Confident | 81.6 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.4 | 175.2 | -66.1 | 172.8 | 0 | 0 | 0 | 109.7 | V39 I40 E41 I91 I96 V126 C154 | V39-L52 HydrophobicContact CG1-CD2 4.49Å; I40-L52 WeakPolarHBondContact O-CA 3.45Å; E41-L52 HydrophobicContact CG-CD2 4.43Å; L52-I91 HydrophobicContact CD2-CD1 3.38Å; L52-I96 HydrophobicContact CD1-CB 4.17Å; L52-I96 HydrophobicContact CD1-CD1 4.26Å; L52-I96 HydrophobicContact CD1-CG2 4.07Å; L52-I96 HydrophobicContact CD2-CD1 4.35Å; L52-I96 HydrophobicContact CD2-CG2 4.46Å; L52-V126 HydrophobicContact CB-CG1 3.85Å; L52-V126 WeakPolarHBondContact O-CG1 3.36Å; L52-C154 HydrophobicContact CB-CB 4.35Å; L52-C154 VanDerWaalsContact CG-SG 3.6Å; L52-C154 PolarHBondContact N-SG 3.07Å |
| 53 | F | 88.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 142.3 | 177.7 | -60.1 | -85.7 | 0 | 0 | 0 | 111.4 | D23 V24 V39 I40 V42 A51 V70 L74 F78 L80 | D23-F53 HydrophobicContact CB-CD1 4.33Å; V24-F53 HydrophobicContact CB-CB 4.15Å; V24-F53 HydrophobicContact CB-CD1 4.41Å; V24-F53 HydrophobicContact CB-CG 4.37Å; V24-F53 HydrophobicContact CG2-CB 3.76Å; V24-F53 HydrophobicContact CG2-CD1 3.57Å; V24-F53 HydrophobicContact CG2-CD2 3.98Å; V24-F53 HydrophobicContact CG2-CE1 4.1Å; V24-F53 HydrophobicContact CG2-CE2 4.46Å; V24-F53 HydrophobicContact CG2-CG 3.5Å; V24-F53 VanDerWaalsContact CG2-CG 3.5Å; V39-F53 WeakPolarHBondContact CA-O 3.4Å; I40-F53 HydrophobicContact CG1-CB 4.08Å; I40-F53 PolarHBondContact N-O 3.38Å; I40-F53 PolarHBondContact O-N 3.04Å; V42-F53 HydrophobicContact CB-CD2 4.06Å; V42-F53 HydrophobicContact CB-CE2 3.92Å; V42-F53 HydrophobicContact CG2-CD2 3.66Å; V42-F53 HydrophobicContact CG2-CE2 3.98Å; A51-F53 HydrophobicContact CB-CD2 4.31Å; A51-F53 HydrophobicContact CB-CE2 3.49Å; A51-F53 VanDerWaalsContact CB-CE2 3.49Å; A51-F53 HydrophobicContact CB-CZ 3.97Å; F53-V70 HydrophobicContact CE1-CG1 3.77Å; F53-V70 HydrophobicContact CE2-CG1 4.38Å; F53-V70 HydrophobicContact CE2-CG2 4.34Å; F53-V70 HydrophobicContact CZ-CG1 3.53Å; F53-V70 HydrophobicContact CZ-CG2 4.26Å; F53-L74 HydrophobicContact CD1-CD1 4.45Å; F53-L74 HydrophobicContact CE1-CB 4.1Å; F53-L74 HydrophobicContact CE1-CD1 3.86Å; F53-F78 HydrophobicContact CZ-CD2 4.35Å; F53-F78 HydrophobicContact CZ-CE2 4.48Å; F53-L80 HydrophobicContact CE2-CD1 4.47Å |
| 54 | L | 88.3 | Confident | 78.9 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.3 | 171.4 | -178.1 | 67.7 | 0 | 0 | 0 | 109.4 | V39 T56 V126 | V39-L54 HydrophobicContact CG2-CD1 3.87Å; L54-T56 HydrophobicContact CD2-CG2 4.16Å; L54-T56 HydrophobicContact CG-CG2 4.24Å; L54-T56 PolarHBondContact O-N 3.15Å; L54-T56 VanDerWaalsContact O-N 3.13Å; L54-V126 HydrophobicContact CB-CB 4.19Å; L54-V126 HydrophobicContact CB-CG2 3.87Å |
| 55 | V | 84.8 | Confident | 77.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 33% | 0.333 | C | S | . | . | trans | -76.4 | 102.2 | 177 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | I26 I34 N35 I36 G37 D38 I40 L58 | I26-V55 HydrophobicContact CD1-CG1 4.33Å; I26-V55 HydrophobicContact CD1-CG2 3.73Å; I34-V55 HydrophobicContact CG2-CG1 4.37Å; I34-V55 HydrophobicContact CG2-CG2 3.78Å; N35-V55 WeakPolarHBondContact O-CB 2.94Å; N35-V55 WeakPolarHBondContact O-CG1 3.46Å; I36-V55 WeakPolarHBondContact CA-O 3.46Å; G37-V55 PolarHBondContact N-O 3.5Å; D38-V55 PolarHBondContact O-N 3.39Å; I40-V55 HydrophobicContact CD1-CG2 4.47Å; I40-V55 HydrophobicContact CG1-CG2 4.2Å; I40-V55 HydrophobicContact CG2-CG2 4.06Å; V55-L58 HydrophobicContact CG1-CD2 3.8Å; V55-L58 HydrophobicContact CG1-CG 4.41Å | ||
| 56 | T | 81.8 | Confident | 77.7 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | trans | -96.9 | -30.6 | -176.9 | 44.2 | 0 | 0 | 0 | 0 | 113.1 | T22 I36 L54 | T22-T56 WeakPolarHBondContact CG2-OG1 3.49Å; I36-T56 WeakPolarHBondContact CG2-O 3.21Å; L54-T56 HydrophobicContact CD2-CG2 4.16Å; L54-T56 HydrophobicContact CG-CG2 4.24Å; L54-T56 PolarHBondContact O-N 3.15Å; L54-T56 VanDerWaalsContact O-N 3.13Å | ||
| 57 | T | 78 | Confident | 77.8 | Confident | 53 Ų | 53 | 57 Ų | 57 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | trans | -143 | 151.5 | 173.6 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | T22 | T22-T57 HydrophobicContact CG2-CG2 4.04Š| ||
| 58 | L | 81.1 | Confident | 78.4 | Confident | 60 Ų | 60 | 54.4 Ų | 54.4 | 31% | 0.314 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.2 | 165.8 | -61.1 | 173.1 | 0 | 0 | 0 | 108 | I26 I36 V55 | I26-L58 HydrophobicContact CB-CD2 3.97Å; I26-L58 HydrophobicContact CG2-CD2 4.43Å; I36-L58 HydrophobicContact CG1-CD1 4.3Å; I36-L58 HydrophobicContact CG1-CG 4.1Å; V55-L58 HydrophobicContact CG1-CD2 3.8Å; V55-L58 HydrophobicContact CG1-CG 4.41Å |
| 59 | S | 77 | Confident | 79 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.3 | -178.3 | 159.1 | 0 | 0 | 0 | 0 | 111 | I26 S27 S28 D61 | I26-S59 PolarHBondContact O-N 3.21Å; I26-S59 VanDerWaalsContact O-N 3.11Å; S27-S59 WeakPolarHBondContact CA-O 3.01Å; S28-S59 PolarHBondContact N-O 2.69Å; S28-S59 VanDerWaalsContact N-O 3.13Å; S59-D61 WeakPolarHBondContact OG-CB 3.25Å; S59-D61 PolarHBondContact OG-N 3.32Å; S59-D61 PolarHBondContact OG-OD2 3.31Å |
| 60 | D | 70.2 | Confident | 79.6 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -89.6 | -10.3 | 174.3 | -94.6 | 20.3 | 0 | 0 | 0 | 113.2 | S28 R29 L62 | S28-D60 WeakPolarHBondContact CB-OD1 3.34Å; S28-D60 PolarHBondContact OG-OD1 3.3Å; R29-D60 IonicContact CZ-OD2 2.62Å; R29-D60 IonicContact NE-OD1 2.7Å; R29-D60 IonicContact NE-OD2 2.8Å; R29-D60 PolarHBondContact NE-OD2 3.28Å; R29-D60 IonicContact NH2-OD2 3.89Å; R29-D60 PolarHBondContact NH2-OD2 3.26Å; D60-L62 PolarHBondContact O-N 2.94Å |
| 61 | D | 66.7 | Low | 79.7 | Confident | 97 Ų | 97 | 43.7 Ų | 43.7 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | trans | -78.4 | -10.7 | -173.2 | -45.7 | -67.2 | 0 | 0 | 0 | 112.2 | F20 S59 Q63 | F20-D61 HydrophobicContact CZ-CB 4.4Å; S59-D61 WeakPolarHBondContact OG-CB 3.25Å; S59-D61 PolarHBondContact OG-N 3.32Å; S59-D61 PolarHBondContact OG-OD2 3.31Å; D61-Q63 PolarHBondContact O-N 3.34Å; D61-Q63 VanDerWaalsContact O-N 3.13Å | ||
| 62 | L | 68.2 | Low | 79.8 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | trans | -71.4 | 101.7 | 167.4 | -79.3 | 169.5 | 0 | 0 | 0 | 109.7 | I25 D60 N64 V67 | I25-L62 HydrophobicContact CB-CD1 4.21Å; I25-L62 HydrophobicContact CG2-CD1 3.83Å; I25-L62 HydrophobicContact CG2-CG 4.47Å; D60-L62 PolarHBondContact O-N 2.94Å; L62-N64 VanDerWaalsContact C-N 3.25Å; L62-N64 PolarHBondContact O-N 3.04Å; L62-N64 VanDerWaalsContact O-N 3.17Å; L62-V67 HydrophobicContact CD2-CG1 4.03Å | ||
| 63 | Q | 60.5 | Low | 79.7 | Confident | 102 Ų | 102 | 49.8 Ų | 49.8 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -57.9 | -31.2 | -170 | -72.3 | -166.7 | -15.9 | 0 | 0 | 114.7 | D61 K1041 | D61-Q63 PolarHBondContact O-N 3.34Å; D61-Q63 VanDerWaalsContact O-N 3.13Å; Q63-K1041 HydrophobicContact CB-CD 3.79Å; Q63-K1041 HydrophobicContact CG-CB 4.38Å; Q63-K1041 HydrophobicContact CG-CD 3.65Å; Q63-K1041 PolarHBondContact O-NZ 3.45Å |
| 64 | N | 64.4 | Low | 79.6 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 57% | 0.567 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -108.9 | 141.6 | 177.9 | -68.6 | -20.4 | 0 | 0 | 0 | 110.5 | L62 V67 | L62-N64 VanDerWaalsContact C-N 3.25Å; L62-N64 PolarHBondContact O-N 3.04Å; L62-N64 VanDerWaalsContact O-N 3.17Å; N64-V67 HydrophobicContact CB-CB 4.37Å; N64-V67 HydrophobicContact CB-CG2 3.69Å |
| 65 | R | 68.5 | Low | 79.6 | Confident | 164 Ų | 164 | 48.5 Ų | 48.5 | 62% | 0.619 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -43.3 | -179.2 | -66.2 | -175.6 | -177.8 | -165.9 | -0.4 | 112.2 | R29 V67 | R29-R65 VanDerWaalsContact O-CD 3.28Å; R29-R65 WeakPolarHBondContact O-CD 3.41Å; R29-R65 PolarHBondContact O-NE 3.17Å; R65-V67 VanDerWaalsContact C-N 3.31Å; R65-V67 PolarHBondContact O-N 2.97Å |
| 66 | D | 79 | Confident | 79.7 | Confident | 93 Ų | 93 | 53.6 Ų | 53.6 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 36.7 | -174.8 | -44.9 | -68.1 | 0 | 0 | 0 | 113.2 | F7 K8 H32 | F7-D66 CarbonylContact C-O 3.51Å; F7-D66 WeakPolarHBondContact CA-O 3.21Å; K8-D66 PolarHBondContact N-O 3.34Å; H32-D66 IonicContact CE1-OD1 2.8Å; H32-D66 IonicContact NE2-OD1 2.86Å |
| 67 | V | 84.2 | Confident | 79.9 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.4 | 174.2 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | K8 H10 L62 N64 R65 | K8-V67 HydrophobicContact CB-CG2 4.32Å; K8-V67 WeakPolarHBondContact O-CA 3.49Å; H10-V67 HydrophobicContact CB-CG1 3.99Å; L62-V67 HydrophobicContact CD2-CG1 4.03Å; N64-V67 HydrophobicContact CB-CB 4.37Å; N64-V67 HydrophobicContact CB-CG2 3.69Å; R65-V67 VanDerWaalsContact C-N 3.31Å; R65-V67 PolarHBondContact O-N 2.97Å |
| 68 | I | 88.2 | Confident | 80.4 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 137.7 | 167.5 | -175.9 | 168.4 | 0 | 0 | 0 | 109 | F7 K8 L9 H10 V24 I26 I40 V42 V86 V88 | F7-I68 HydrophobicContact CB-CB 4.22Å; F7-I68 HydrophobicContact CB-CG2 3.74Å; F7-I68 HydrophobicContact CD1-CB 4.46Å; F7-I68 HydrophobicContact CG-CB 4.5Å; F7-I68 HydrophobicContact CG-CG2 4.49Å; K8-I68 PolarHBondContact O-N 3.43Å; L9-I68 HydrophobicContact CD1-CG2 4.08Å; H10-I68 PolarHBondContact N-O 2.64Å; V24-I68 HydrophobicContact CG1-CD1 4.36Å; I26-I68 HydrophobicContact CG1-CD1 4.27Å; I26-I68 HydrophobicContact CG1-CG1 4.2Å; I40-I68 HydrophobicContact CD1-CD1 3.65Å; V42-I68 HydrophobicContact CG2-CD1 3.81Å; I68-V86 HydrophobicContact CG2-CG2 3.64Å; I68-V88 HydrophobicContact CD1-CG2 3.98Å; I68-V88 HydrophobicContact CG2-CG2 4.35Å |
| 69 | S | 88.8 | Confident | 80.6 | Confident | 5 Ų | 5 | 53.4 Ų | 53.4 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.1 | 172.8 | -164.9 | 0 | 0 | 0 | 0 | 111.1 | H10 H12 V24 I25 | H10-S69 VanDerWaalsContact O-CA 3.29Å; H10-S69 WeakPolarHBondContact O-CA 3.46Å; H12-S69 PolarHBondContact ND1-OG 2.94Å; V24-S69 CarbonylContact C-O 2.95Å; V24-S69 WeakPolarHBondContact CA-O 3.47Å; I25-S69 PolarHBondContact N-O 2.73Å; I25-S69 PolarHBondContact O-N 3.4Å |
| 70 | V | 90.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145.5 | 176.9 | 178 | 0 | 0 | 0 | 0 | 108.8 | L9 H10 Y11 H12 V24 F53 Q72 L74 A75 | L9-V70 HydrophobicContact CD1-CB 3.97Å; L9-V70 HydrophobicContact CD1-CG2 3.49Å; L9-V70 VanDerWaalsContact CD1-CG2 3.49Å; H10-V70 PolarHBondContact O-N 3.47Å; Y11-V70 WeakPolarHBondContact CA-O 3.46Å; H12-V70 VanDerWaalsContact CE1-C 3.41Å; H12-V70 PolarHBondContact N-O 3.18Å; H12-V70 VanDerWaalsContact N-O 3.13Å; H12-V70 PolarHBondContact ND1-O 3.37Å; V24-V70 HydrophobicContact CG2-CB 4.4Å; V24-V70 HydrophobicContact CG2-CG2 3.79Å; F53-V70 HydrophobicContact CE1-CG1 3.77Å; F53-V70 HydrophobicContact CE2-CG1 4.38Å; F53-V70 HydrophobicContact CE2-CG2 4.34Å; F53-V70 HydrophobicContact CZ-CG1 3.53Å; F53-V70 HydrophobicContact CZ-CG2 4.26Å; V70-Q72 PolarHBondContact O-N 3.35Å; V70-L74 HydrophobicContact CG1-CB 4.08Å; V70-A75 HydrophobicContact CG1-CB 4.15Å |
| 71 | E | 89.6 | Confident | 81.9 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 133.8 | 175.4 | -165.3 | -100.6 | -148.3 | 0 | 0 | 110.5 | H12 R14 D23 S73 L74 A75 | H12-E71 PolarHBondContact CE1-N 3.15Å; R14-E71 HydrophobicContact CB-CG 4.14Å; D23-E71 PolarHBondContact O-N 3.13Å; E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.27Å; E71-S73 PolarHBondContact OE1-OG 2.99Å; E71-S73 VanDerWaalsContact OE2-CA 3.29Å; E71-S73 WeakPolarHBondContact OE2-CA 3.41Å; E71-S73 WeakPolarHBondContact OE2-CB 3.43Å; E71-S73 PolarHBondContact OE2-N 3.36Å; E71-S73 PolarHBondContact OE2-OG 2.9Å; E71-L74 HydrophobicContact CB-CD1 4.08Å; E71-L74 HydrophobicContact CB-CG 4.19Å; E71-L74 WeakPolarHBondContact O-CB 3.31Å; E71-L74 PolarHBondContact O-N 3.09Å; E71-L74 PolarHBondContact OE2-N 3.04Å; E71-L74 VanDerWaalsContact OE2-N 3.15Å; E71-A75 PolarHBondContact O-N 2.95Å |
| 72 | Q | 89 | Confident | 82.9 | Confident | 85 Ų | 85 | 55 Ų | 55 | 40% | 0.397 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.8 | -35.8 | -166.5 | -176.1 | 173.7 | 20.4 | 0 | 0 | 114.3 | Y11 H12 V70 H76 | Y11-Q72 HydrophobicContact CD2-CB 4.38Å; Y11-Q72 HydrophobicContact CD2-CG 3.78Å; Y11-Q72 HydrophobicContact CE2-CG 4.35Å; Y11-Q72 HydrophobicContact CG-CG 4.39Å; H12-Q72 PolarHBondContact O-N 3.38Å; V70-Q72 PolarHBondContact O-N 3.35Å; Q72-H76 PolarHBondContact O-CD2 3.31Å; Q72-H76 VanDerWaalsContact O-CG 3.22Å; Q72-H76 PolarHBondContact O-N 2.99Å; Q72-H76 VanDerWaalsContact O-N 3.07Å |
| 73 | S | 86.4 | Confident | 83.8 | Confident | 61 Ų | 61 | 58.1 Ų | 58.1 | 43% | 0.427 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.7 | -33.1 | 178.8 | 81.4 | 0 | 0 | 0 | 0 | 112 | E71 T77 | E71-S73 VanDerWaalsContact C-N 3.31Å; E71-S73 PolarHBondContact O-N 3.27Å; E71-S73 PolarHBondContact OE1-OG 2.99Å; E71-S73 VanDerWaalsContact OE2-CA 3.29Å; E71-S73 WeakPolarHBondContact OE2-CA 3.41Å; E71-S73 WeakPolarHBondContact OE2-CB 3.43Å; E71-S73 PolarHBondContact OE2-N 3.36Å; E71-S73 PolarHBondContact OE2-OG 2.9Å; S73-T77 WeakPolarHBondContact O-CB 3.38Å; S73-T77 PolarHBondContact O-N 3.2Å; S73-T77 PolarHBondContact O-OG1 3.25Å |
| 74 | L | 87.8 | Confident | 85.1 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 172.6 | -57.4 | -177.1 | 0 | 0 | 0 | 110.9 | D23 F53 V70 E71 H76 T77 F78 H128 | D23-L74 HydrophobicContact CB-CD1 3.57Å; F53-L74 HydrophobicContact CD1-CD1 4.45Å; F53-L74 HydrophobicContact CE1-CB 4.1Å; F53-L74 HydrophobicContact CE1-CD1 3.86Å; V70-L74 HydrophobicContact CG1-CB 4.08Å; E71-L74 HydrophobicContact CB-CD1 4.08Å; E71-L74 HydrophobicContact CB-CG 4.19Å; E71-L74 WeakPolarHBondContact O-CB 3.31Å; E71-L74 PolarHBondContact O-N 3.09Å; E71-L74 PolarHBondContact OE2-N 3.04Å; E71-L74 VanDerWaalsContact OE2-N 3.15Å; L74-H76 PolarHBondContact O-N 2.87Å; L74-T77 WeakPolarHBondContact O-CB 3.27Å; L74-T77 PolarHBondContact O-N 2.83Å; L74-T77 VanDerWaalsContact O-N 3.1Å; L74-F78 WeakPolarHBondContact O-CD2 2.95Å; L74-F78 PolarHBondContact O-N 2.85Å; L74-H128 WeakPolarHBondContact CD2-NE2 3.29Å |
| 75 | A | 86.8 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.2 | -47.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y11 V70 E71 T77 F78 K79 L80 | Y11-A75 HydrophobicContact CD1-CB 3.74Å; Y11-A75 HydrophobicContact CE1-CB 3.36Å; Y11-A75 HydrophobicContact CE2-CB 4.48Å; Y11-A75 HydrophobicContact CG-CB 4.5Å; V70-A75 HydrophobicContact CG1-CB 4.15Å; E71-A75 PolarHBondContact O-N 2.95Å; A75-T77 PolarHBondContact O-N 3.09Å; A75-F78 PolarHBondContact O-N 2.96Å; A75-K79 PolarHBondContact O-N 2.98Å; A75-K79 VanDerWaalsContact O-N 3.08Å; A75-L80 HydrophobicContact CB-CB 4.4Å; A75-L80 PolarHBondContact O-N 2.6Å |
| 76 | H | 87.2 | Confident | 87.3 | Confident | 109 Ų | 109 | 46.9 Ų | 46.9 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 174.4 | -64.5 | 175.4 | 0 | 0 | 0 | 112.7 | Y11 Q72 L74 F78 K79 | Y11-H76 AromaticContact CE2-CD2 3.96Å; Y11-H76 AromaticContact CE2-NE2 3.64Å; Q72-H76 PolarHBondContact O-CD2 3.31Å; Q72-H76 VanDerWaalsContact O-CG 3.22Å; Q72-H76 PolarHBondContact O-N 2.99Å; Q72-H76 VanDerWaalsContact O-N 3.07Å; L74-H76 PolarHBondContact O-N 2.87Å; H76-F78 PolarHBondContact O-N 3.16Å; H76-K79 PolarHBondContact O-N 2.9Å |
| 77 | T | 85.7 | Confident | 87.8 | Confident | 75 Ų | 75 | 43.2 Ų | 43.2 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 179.6 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | S73 L74 A75 | S73-T77 WeakPolarHBondContact O-CB 3.38Å; S73-T77 PolarHBondContact O-N 3.2Å; S73-T77 PolarHBondContact O-OG1 3.25Å; L74-T77 WeakPolarHBondContact O-CB 3.27Å; L74-T77 PolarHBondContact O-N 2.83Å; L74-T77 VanDerWaalsContact O-N 3.1Å; A75-T77 PolarHBondContact O-N 3.09Å |
| 78 | F | 88.1 | Confident | 88 | Confident | 14 Ų | 14 | 43 Ų | 43 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.9 | 177 | -69.7 | -74 | 0 | 0 | 0 | 114.3 | A51 F53 L74 A75 H76 L80 H128 C154 | A51-F78 HydrophobicContact CB-CB 4Å; A51-F78 HydrophobicContact CB-CD1 3.73Å; A51-F78 HydrophobicContact CB-CD2 3.7Å; A51-F78 HydrophobicContact CB-CE1 4.05Å; A51-F78 HydrophobicContact CB-CE2 4.03Å; A51-F78 HydrophobicContact CB-CG 3.54Å; A51-F78 HydrophobicContact CB-CZ 4.18Å; F53-F78 HydrophobicContact CZ-CD2 4.35Å; F53-F78 HydrophobicContact CZ-CE2 4.48Å; L74-F78 WeakPolarHBondContact O-CD2 2.95Å; L74-F78 PolarHBondContact O-N 2.85Å; A75-F78 PolarHBondContact O-N 2.96Å; H76-F78 PolarHBondContact O-N 3.16Å; F78-L80 HydrophobicContact CB-CD1 4.43Å; F78-L80 HydrophobicContact CB-CG 4.06Å; F78-L80 PolarHBondContact O-N 2.85Å; F78-H128 HydrophobicContact CE2-CB 4.27Å; F78-H128 HydrophobicContact CZ-CB 3.6Å; F78-C154 HydrophobicContact CE1-CB 4.09Å; F78-C154 HydrophobicContact CZ-CB 3.9Å |
| 79 | K | 86.6 | Confident | 88 | Confident | 83 Ų | 83 | 44.2 Ų | 44.2 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 26.3 | -174.4 | -50.7 | -176.5 | -170.4 | 166.3 | 0 | 114.7 | H49 A75 H76 G908 | H49-K79 PolarHBondContact NE2-NZ 3.12Å; A75-K79 PolarHBondContact O-N 2.98Å; A75-K79 VanDerWaalsContact O-N 3.08Å; H76-K79 PolarHBondContact O-N 2.9Å; K79-G908 WeakPolarHBondContact CE-O 3.41Å; K79-G908 PolarHBondContact NZ-O 3.13Å; K79-G908 VanDerWaalsContact NZ-O 3.07Å |
| 80 | L | 88.4 | Confident | 87.9 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | trans | -65.6 | 144.9 | 170 | -58.3 | 175.9 | 0 | 0 | 0 | 108.8 | L9 Y11 V42 A51 F53 A75 F78 | L9-L80 HydrophobicContact CD2-CB 3.56Å; L9-L80 HydrophobicContact CD2-CD1 4.32Å; L9-L80 HydrophobicContact CD2-CG 4.49Å; Y11-L80 PolarHBondContact OH-O 3.41Å; V42-L80 HydrophobicContact CG1-CD1 4.13Å; A51-L80 HydrophobicContact CB-CD1 4.38Å; F53-L80 HydrophobicContact CE2-CD1 4.47Å; A75-L80 HydrophobicContact CB-CB 4.4Å; A75-L80 PolarHBondContact O-N 2.6Å; F78-L80 HydrophobicContact CB-CD1 4.43Å; F78-L80 HydrophobicContact CB-CG 4.06Å; F78-L80 PolarHBondContact O-N 2.85Å | ||
| 81 | Q | 85.4 | Confident | 87.9 | Confident | 109 Ų | 109 | 48 Ų | 48 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | trans | -110.2 | 128.4 | -175.8 | -68.1 | -175 | -17.2 | 0 | 0 | 111.6 | H44 H83 K84 | H44-Q81 PolarHBondContact NE2-N 2.85Å; Q81-H83 PolarHBondContact O-N 2.98Å; Q81-K84 HydrophobicContact CB-CB 4Å; Q81-K84 HydrophobicContact CB-CD 4.16Å; Q81-K84 WeakPolarHBondContact O-CB 3.46Å; Q81-K84 PolarHBondContact O-N 2.85Å | ||
| 82 | Q | 88.5 | Confident | 87.9 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 41% | 0.411 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 137.8 | -179.4 | -154.5 | 178.4 | -43.9 | 0 | 0 | 111.4 | Y11 K84 | Y11-Q82 HydrophobicContact CD1-CB 4.3Å; Y11-Q82 HydrophobicContact CD1-CG 3.99Å; Y11-Q82 HydrophobicContact CD2-CB 4.2Å; Y11-Q82 HydrophobicContact CD2-CG 4Å; Y11-Q82 HydrophobicContact CE1-CB 3.82Å; Y11-Q82 HydrophobicContact CE1-CG 4.04Å; Y11-Q82 HydrophobicContact CE2-CB 3.79Å; Y11-Q82 HydrophobicContact CE2-CG 4.11Å; Y11-Q82 HydrophobicContact CG-CB 4.45Å; Y11-Q82 HydrophobicContact CG-CG 3.94Å; Y11-Q82 PolarHBondContact OH-N 2.91Å; Q82-K84 PolarHBondContact O-N 2.83Å |
| 83 | H | 87.3 | Confident | 87.9 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 39% | 0.394 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -3.8 | -179.1 | -50.1 | -58 | 0 | 0 | 0 | 116.8 | K8 L9 H10 Q81 | K8-H83 WeakPolarHBondContact CE-O 3.25Å; L9-H83 WeakPolarHBondContact O-CA 3.28Å; L9-H83 PolarHBondContact O-N 3.27Å; H10-H83 AromaticContact CD2-CE1 3.99Å; H10-H83 AromaticContact CD2-ND1 3.59Å; H10-H83 AromaticContact CE1-CE1 3.38Å; H10-H83 PolarHBondContact CE1-CE1 2.96Å; H10-H83 AromaticContact CE1-ND1 3.57Å; H10-H83 AromaticContact ND1-CE1 3.68Å; H10-H83 AromaticContact NE2-CE1 3.54Å; H10-H83 AromaticContact NE2-ND1 3.21Å; H10-H83 PolarHBondContact NE2-ND1 3.47Å; Q81-H83 PolarHBondContact O-N 2.98Å |
| 84 | K | 88.1 | Confident | 88 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 21% | 0.209 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -70.4 | 149.4 | 165.3 | -174.2 | 177.3 | 177.2 | -177 | 0 | 109.1 | L9 E46 D47 Q81 Q82 | L9-K84 PolarHBondContact N-O 3.13Å; E46-K84 WeakPolarHBondContact OE2-CE 3.2Å; E46-K84 IonicContact OE2-NZ 2.68Å; E46-K84 PolarHBondContact OE2-NZ 3.1Å; D47-K84 IonicContact OD2-NZ 3.36Å; D47-K84 PolarHBondContact OD2-NZ 3.43Å; Q81-K84 HydrophobicContact CB-CB 4Å; Q81-K84 HydrophobicContact CB-CD 4.16Å; Q81-K84 WeakPolarHBondContact O-CB 3.46Å; Q81-K84 PolarHBondContact O-N 2.85Å; Q82-K84 PolarHBondContact O-N 2.83Å |
| 85 | N | 88.7 | Confident | 88 | Confident | 88 Ų | 88 | 57.4 Ų | 57.4 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 128.6 | 178.7 | -67.1 | -34.6 | 0 | 0 | 0 | 110.2 | F7 H44 | F7-N85 WeakPolarHBondContact O-CA 3.31Å; H44-N85 PolarHBondContact ND1-O 2.88Å |
| 86 | V | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 150.1 | 170 | -71.2 | 0 | 0 | 0 | 0 | 109.8 | K6 F7 L9 V42 Y43 H44 I68 V88 | K6-V86 WeakPolarHBondContact CA-O 3.28Å; F7-V86 HydrophobicContact CB-CG2 4.2Å; F7-V86 PolarHBondContact N-O 3.42Å; F7-V86 WeakPolarHBondContact O-CG2 3.5Å; F7-V86 PolarHBondContact O-N 3.03Å; L9-V86 HydrophobicContact CB-CG1 4.14Å; L9-V86 HydrophobicContact CB-CG2 4.27Å; L9-V86 HydrophobicContact CD2-CG1 4.16Å; V42-V86 HydrophobicContact CG1-CB 3.84Å; V42-V86 HydrophobicContact CG1-CG1 3.87Å; V42-V86 HydrophobicContact CG1-CG2 3.95Å; Y43-V86 CarbonylContact O-C 3.57Å; Y43-V86 WeakPolarHBondContact O-CA 3.46Å; H44-V86 WeakPolarHBondContact CE1-CG1 3.32Å; H44-V86 WeakPolarHBondContact ND1-CG1 3.18Å; I68-V86 HydrophobicContact CG2-CG2 3.64Å; V86-V88 HydrophobicContact CG2-CG2 4.22Å |
| 87 | I | 89.2 | Confident | 88.4 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131.7 | 161.6 | -67.2 | 174.3 | 0 | 0 | 0 | 107.3 | K4 Q5 K6 V42 Y43 P45 | K4-I87 HydrophobicContact CB-CG2 3.91Å; K4-I87 HydrophobicContact CD-CD1 4.45Å; K4-I87 HydrophobicContact CD-CG2 4.21Å; K4-I87 HydrophobicContact CG-CG2 4.23Å; Q5-I87 WeakPolarHBondContact O-CA 3.27Å; K6-I87 HydrophobicContact CG-CG1 4.49Å; V42-I87 WeakPolarHBondContact CA-O 3.19Å; Y43-I87 HydrophobicContact CD1-CB 4.25Å; Y43-I87 HydrophobicContact CD1-CG2 4.42Å; Y43-I87 HydrophobicContact CE1-CB 3.77Å; Y43-I87 HydrophobicContact CE1-CG2 3.61Å; Y43-I87 HydrophobicContact CE2-CB 4.4Å; Y43-I87 HydrophobicContact CE2-CD1 4.12Å; Y43-I87 PolarHBondContact N-O 2.89Å; Y43-I87 PolarHBondContact O-N 2.62Å; Y43-I87 WeakPolarHBondContact OH-CD1 3.44Å; P45-I87 HydrophobicContact CB-CD1 3.98Å |
| 88 | V | 88 | Confident | 88.8 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.4 | 169.7 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | Q5 F7 I34 I40 E41 V42 I68 V86 | Q5-V88 PolarHBondContact N-O 2.92Å; Q5-V88 PolarHBondContact O-N 2.72Å; F7-V88 HydrophobicContact CB-CG2 4.07Å; F7-V88 HydrophobicContact CD2-CB 3.55Å; F7-V88 HydrophobicContact CD2-CG2 3.34Å; F7-V88 HydrophobicContact CE2-CB 3.7Å; F7-V88 HydrophobicContact CE2-CG1 4.3Å; F7-V88 HydrophobicContact CE2-CG2 3.96Å; F7-V88 HydrophobicContact CG-CG2 3.9Å; I34-V88 HydrophobicContact CD1-CG1 4.36Å; I40-V88 HydrophobicContact CB-CG1 4.07Å; I40-V88 HydrophobicContact CD1-CG1 3.84Å; I40-V88 HydrophobicContact CG2-CG1 4.18Å; E41-V88 WeakPolarHBondContact O-CA 3.43Å; V42-V88 HydrophobicContact CG2-CG2 4.36Å; I68-V88 HydrophobicContact CD1-CG2 3.98Å; I68-V88 HydrophobicContact CG2-CG2 4.35Å; V86-V88 HydrophobicContact CG2-CG2 4.22Å |
| 89 | N | 87.8 | Confident | 89 | Confident | 26 Ų | 26 | 54 Ų | 54 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 131.7 | -173.4 | 178.8 | 41.4 | 0 | 0 | 0 | 109.8 | V2 I40 E41 | V2-N89 WeakPolarHBondContact CG1-OD1 3.13Å; I40-N89 CarbonylContact C-O 3.08Å; I40-N89 VanDerWaalsContact CA-O 3.3Å; I40-N89 WeakPolarHBondContact CA-O 3.22Å; E41-N89 HydrophobicContact CB-CB 3.85Å; E41-N89 PolarHBondContact N-O 3Å; E41-N89 PolarHBondContact O-N 2.72Å; E41-N89 PolarHBondContact OE2-ND2 2.84Å |
| 90 | V | 87.8 | Confident | 89.2 | Confident | 57 Ų | 57 | 52.2 Ų | 52.2 | 35% | 0.345 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 129.5 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | I34 D38 I40 | I34-V90 HydrophobicContact CG1-CG2 3.88Å; D38-V90 HydrophobicContact CB-CG1 4.29Å; I40-V90 HydrophobicContact CG2-CG2 4.2Å |
| 91 | I | 88.8 | Confident | 89.5 | Confident | 27 Ų | 27 | 51.9 Ų | 51.9 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.2 | -174.3 | -45.8 | -178.4 | 0 | 0 | 0 | 111.4 | V39 E41 L52 K93 T95 I96 | V39-I91 PolarHBondContact O-N 3.48Å; E41-I91 HydrophobicContact CB-CD1 3.69Å; E41-I91 HydrophobicContact CB-CG1 4.08Å; E41-I91 HydrophobicContact CG-CD1 3.75Å; L52-I91 HydrophobicContact CD2-CD1 3.38Å; I91-K93 PolarHBondContact O-N 2.79Å; I91-T95 WeakPolarHBondContact CG2-OG1 3.35Å; I91-I96 HydrophobicContact CB-CD1 4.35Å; I91-I96 HydrophobicContact CD1-CG2 4.18Å; I91-I96 HydrophobicContact CG2-CD1 4.36Å; I91-I96 HydrophobicContact CG2-CG1 4.39Å; I91-I96 HydrophobicContact CG2-CG2 3.84Å |
| 92 | N | 90 | Very high | 89.8 | Confident | 85 Ų | 85 | 47.1 Ų | 47.1 | 46% | 0.455 | 24% | 0.242 | S | C | . | . | trans | -66 | 124.6 | 167.6 | 177 | 8.5 | 0 | 0 | 0 | 110.1 | E94 T95 | N92-E94 PolarHBondContact ND2-OE2 3.41Å; N92-E94 PolarHBondContact O-N 3.17Å; N92-E94 VanDerWaalsContact O-N 3.16Å; N92-E94 PolarHBondContact OD1-N 3.33Å; N92-T95 HydrophobicContact CB-CG2 4.19Å; N92-T95 WeakPolarHBondContact O-CA 3.44Å; N92-T95 WeakPolarHBondContact O-CB 3.43Å; N92-T95 PolarHBondContact O-N 2.92Å; N92-T95 PolarHBondContact O-OG1 2.93Å | ||
| 93 | K | 90.2 | Very high | 90 | Very high | 70 Ų | 70 | 43 Ų | 43 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -50.1 | -38.5 | -179.9 | -68.9 | 163.1 | 178.8 | 176.1 | 0 | 113.7 | G37 V39 I91 T95 I96 S97 Y156 | G37-K93 WeakPolarHBondContact O-CE 3.27Å; G37-K93 PolarHBondContact O-NZ 3.13Å; V39-K93 HydrophobicContact CG2-CG 4.13Å; I91-K93 PolarHBondContact O-N 2.79Å; K93-T95 PolarHBondContact O-N 3.25Å; K93-I96 CarbonylContact O-C 3.58Å; K93-I96 WeakPolarHBondContact O-CG1 3.35Å; K93-I96 PolarHBondContact O-N 3.01Å; K93-S97 PolarHBondContact O-N 3.1Å; K93-Y156 HydrophobicContact CB-CD1 4.06Å; K93-Y156 HydrophobicContact CB-CE1 3.85Å; K93-Y156 HydrophobicContact CD-CE1 4.36Å; K93-Y156 HydrophobicContact CD-CE2 4.26Å; K93-Y156 HydrophobicContact CG-CD1 4.48Å; K93-Y156 HydrophobicContact CG-CE1 4.15Å; K93-Y156 HydrophobicContact CG-CE2 4.16Å |
| 94 | E | 87.4 | Confident | 90.1 | Very high | 143 Ų | 143 | 41.2 Ų | 41.2 | 67% | 0.668 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -62.2 | -30.7 | 176.2 | -57.7 | 174.2 | 133.6 | 0 | 0 | 112.8 | N92 I96 S97 R147 | N92-E94 PolarHBondContact ND2-OE2 3.41Å; N92-E94 PolarHBondContact O-N 3.17Å; N92-E94 VanDerWaalsContact O-N 3.16Å; N92-E94 PolarHBondContact OD1-N 3.33Å; E94-I96 PolarHBondContact O-N 3.46Å; E94-S97 PolarHBondContact O-OG 3.3Å; E94-R147 PolarHBondContact O-NH2 3.02Å |
| 95 | T | 87.5 | Confident | 90.2 | Very high | 73 Ų | 73 | 39.1 Ų | 39.1 | 45% | 0.448 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -81.2 | -0.5 | -179.1 | 67.2 | 0 | 0 | 0 | 0 | 113.4 | I91 N92 K93 R147 | I91-T95 WeakPolarHBondContact CG2-OG1 3.35Å; N92-T95 HydrophobicContact CB-CG2 4.19Å; N92-T95 WeakPolarHBondContact O-CA 3.44Å; N92-T95 WeakPolarHBondContact O-CB 3.43Å; N92-T95 PolarHBondContact O-N 2.92Å; N92-T95 PolarHBondContact O-OG1 2.93Å; K93-T95 PolarHBondContact O-N 3.25Å; T95-R147 PolarHBondContact O-NH1 3.19Å; T95-R147 PolarHBondContact O-NH2 2.84Å |
| 96 | I | 89.6 | Confident | 90.2 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.097 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.2 | 7.6 | 177.7 | 53.6 | 170.3 | 0 | 0 | 0 | 114 | V39 L52 I91 K93 E94 L98 Y156 | V39-I96 HydrophobicContact CB-CD1 3.92Å; V39-I96 HydrophobicContact CG1-CD1 3.4Å; V39-I96 HydrophobicContact CG2-CD1 4.45Å; L52-I96 HydrophobicContact CD1-CB 4.17Å; L52-I96 HydrophobicContact CD1-CD1 4.26Å; L52-I96 HydrophobicContact CD1-CG2 4.07Å; L52-I96 HydrophobicContact CD2-CD1 4.35Å; L52-I96 HydrophobicContact CD2-CG2 4.46Å; I91-I96 HydrophobicContact CB-CD1 4.35Å; I91-I96 HydrophobicContact CD1-CG2 4.18Å; I91-I96 HydrophobicContact CG2-CD1 4.36Å; I91-I96 HydrophobicContact CG2-CG1 4.39Å; I91-I96 HydrophobicContact CG2-CG2 3.84Å; K93-I96 CarbonylContact O-C 3.58Å; K93-I96 WeakPolarHBondContact O-CG1 3.35Å; K93-I96 PolarHBondContact O-N 3.01Å; E94-I96 PolarHBondContact O-N 3.46Å; I96-L98 PolarHBondContact O-N 3.28Å; I96-Y156 PolarHBondContact O-N 3.16Å |
| 97 | S | 92.8 | Very high | 90 | Very high | 27 Ų | 27 | 42 Ų | 42 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -64.7 | 129.5 | 174.7 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | K93 E94 R147 Y156 | K93-S97 PolarHBondContact O-N 3.1Å; E94-S97 PolarHBondContact O-OG 3.3Å; S97-R147 VanDerWaalsContact O-CD 3.22Å; S97-R147 WeakPolarHBondContact O-CD 3.46Å; S97-R147 PolarHBondContact O-NE 2.91Å; S97-Y156 WeakPolarHBondContact CA-O 3.4Å |
| 98 | L | 93.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -80.1 | 147.8 | 177 | -64.3 | 172.3 | 0 | 0 | 0 | 111 | I96 V101 V127 L145 R147 Y156 T161 | I96-L98 PolarHBondContact O-N 3.28Å; L98-V101 HydrophobicContact CB-CG2 4.18Å; L98-V101 HydrophobicContact CD1-CG2 3.64Å; L98-V127 HydrophobicContact CD1-CG2 4Å; L98-L145 HydrophobicContact CD1-CB 4.07Å; L98-L145 HydrophobicContact CD1-CD1 4.24Å; L98-L145 HydrophobicContact CD1-CD2 3.84Å; L98-L145 HydrophobicContact CD1-CG 4.28Å; L98-L145 HydrophobicContact CD2-CB 4.26Å; L98-R147 HydrophobicContact CD2-CB 4.26Å; L98-Y156 PolarHBondContact N-O 3.21Å; L98-T161 HydrophobicContact CB-CG2 3.94Å; L98-T161 WeakPolarHBondContact O-CA 3.32Å; L98-T161 VanDerWaalsContact O-CB 3.29Å; L98-T161 WeakPolarHBondContact O-CB 3.32Å; L98-T161 WeakPolarHBondContact O-CG2 3.43Å; L98-T161 PolarHBondContact O-OG1 3.35Å | ||
| 99 | D | 92.3 | Very high | 89.8 | Confident | 77 Ų | 77 | 44.3 Ų | 44.3 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -83.6 | -38.4 | 174.1 | -59.1 | -23.3 | 0 | 0 | 0 | 110.5 | W146 R147 L148 K162 | D99-W146 PolarHBondContact N-O 3.22Å; D99-R147 WeakPolarHBondContact OD2-CA 3.47Å; D99-L148 PolarHBondContact OD2-N 3.49Å; D99-K162 PolarHBondContact O-N 3.49Å |
| 100 | L | 92.7 | Very high | 89.8 | Confident | 45 Ų | 45 | 43.3 Ų | 43.3 | 24% | 0.236 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 136.1 | -174.6 | -177.4 | 158.1 | 0 | 0 | 0 | 111.8 | E102 W146 K162 I164 | L100-E102 HydrophobicContact CD2-CG 4.02Å; L100-W146 HydrophobicContact CB-CB 4.16Å; L100-W146 HydrophobicContact CD2-CB 4.38Å; L100-W146 HydrophobicContact CD2-CG 4.22Å; L100-W146 PolarHBondContact N-O 3.2Å; L100-W146 PolarHBondContact O-N 3.24Å; L100-K162 CarbonylContact C-O 2.91Å; L100-K162 VanDerWaalsContact CA-O 3.27Å; L100-K162 WeakPolarHBondContact CA-O 2.95Å; L100-I164 HydrophobicContact CD1-CD1 3.76Å; L100-I164 HydrophobicContact CD1-CG1 4.45Å; L100-I164 HydrophobicContact CD2-CD1 4.44Å; L100-I164 HydrophobicContact CG-CD1 4.23Å; L100-I164 HydrophobicContact CG-CG1 4.44Å |
| 101 | V | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.8 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 109.2 | L98 L103 L145 I157 T161 K162 I163 I164 | L98-V101 HydrophobicContact CB-CG2 4.18Å; L98-V101 HydrophobicContact CD1-CG2 3.64Å; V101-L103 HydrophobicContact CG1-CD2 4.04Å; V101-L103 HydrophobicContact CG1-CG 4.37Å; V101-L145 HydrophobicContact CB-CD2 4.3Å; V101-L145 HydrophobicContact CG1-CD2 3.87Å; V101-L145 HydrophobicContact CG2-CD2 3.88Å; V101-I157 HydrophobicContact CG2-CD1 4.43Å; V101-I157 HydrophobicContact CG2-CG1 4.31Å; V101-T161 HydrophobicContact CB-CG2 4.48Å; V101-T161 HydrophobicContact CG2-CG2 3.68Å; V101-K162 PolarHBondContact N-O 3.48Å; V101-I163 WeakPolarHBondContact O-CA 3.4Å; V101-I164 PolarHBondContact O-N 3.06Å |
| 102 | E | 92.5 | Very high | 89.4 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 138.9 | 168.5 | -64.7 | -171.5 | 142.6 | 0 | 0 | 111.6 | L100 Y104 G143 D144 I164 R166 K1189 | L100-E102 HydrophobicContact CD2-CG 4.02Å; E102-Y104 PolarHBondContact OE2-OH 3.46Å; E102-G143 WeakPolarHBondContact O-CA 3.12Å; E102-G143 PolarHBondContact O-N 3.21Å; E102-D144 PolarHBondContact N-O 3.33Å; E102-I164 CarbonylContact C-O 3.59Å; E102-I164 WeakPolarHBondContact CA-O 3.4Å; E102-I164 HydrophobicContact CG-CB 4.38Å; E102-R166 IonicContact OE1-CZ 3.96Å; E102-R166 VanDerWaalsContact OE1-CZ 3.25Å; E102-R166 IonicContact OE1-NE 3.54Å; E102-R166 PolarHBondContact OE1-NE 3.04Å; E102-R166 IonicContact OE1-NH2 3.04Å; E102-R166 PolarHBondContact OE1-NH2 3.11Å; E102-R166 IonicContact OE2-NE 2.71Å; E102-K1189 IonicContact OE1-NZ 2.74Å; E102-K1189 PolarHBondContact OE1-NZ 3.11Å; E102-K1189 VanDerWaalsContact OE2-CE 3.31Å; E102-K1189 WeakPolarHBondContact OE2-CE 3.17Å; E102-K1189 IonicContact OE2-NZ 3.2Å; E102-K1189 PolarHBondContact OE2-NZ 2.69Å |
| 103 | L | 92.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.8 | 174.3 | -62 | -178.6 | 0 | 0 | 0 | 110.3 | V101 I118 L122 L133 V142 I163 I164 F165 R166 | V101-L103 HydrophobicContact CG1-CD2 4.04Å; V101-L103 HydrophobicContact CG1-CG 4.37Å; L103-I118 HydrophobicContact CD1-CG2 4.25Å; L103-L122 HydrophobicContact CD1-CD1 3.75Å; L103-L133 HydrophobicContact CD2-CD1 3.92Å; L103-V142 HydrophobicContact CD2-CB 4.36Å; L103-V142 HydrophobicContact CD2-CG2 3.79Å; L103-I163 HydrophobicContact CD1-CG2 3.58Å; L103-I163 HydrophobicContact CG-CG2 3.92Å; L103-I164 PolarHBondContact N-O 3.45Å; L103-F165 HydrophobicContact CB-CD1 4.32Å; L103-F165 HydrophobicContact CD1-CD1 4.28Å; L103-F165 HydrophobicContact CD1-CE1 3.72Å; L103-F165 HydrophobicContact CD1-CZ 4.18Å; L103-R166 PolarHBondContact O-N 3.16Å |
| 104 | Y | 90.5 | Very high | 89 | Confident | 48 Ų | 48 | 34.4 Ų | 34.4 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 144.2 | 175.9 | -63.9 | -68.6 | 0 | 0 | 0 | 111.9 | E102 T140 Q141 R166 K1189 V1193 | E102-Y104 PolarHBondContact OE2-OH 3.46Å; Y104-T140 CarbonylContact O-C 3.57Å; Y104-T140 WeakPolarHBondContact O-CA 3.19Å; Y104-Q141 PolarHBondContact N-O 2.86Å; Y104-Q141 PolarHBondContact O-N 2.72Å; Y104-R166 WeakPolarHBondContact CA-O 3.22Å; Y104-R166 HydrophobicContact CD1-CB 3.68Å; Y104-R166 HydrophobicContact CE1-CB 3.81Å; Y104-R166 HydrophobicContact CE1-CG 4.31Å; Y104-K1189 WeakPolarHBondContact OH-CE 3.25Å; Y104-V1193 HydrophobicContact CD1-CB 4.33Å; Y104-V1193 HydrophobicContact CD1-CG1 4.11Å; Y104-V1193 HydrophobicContact CE1-CB 3.92Å; Y104-V1193 HydrophobicContact CE1-CG1 4Å; Y104-V1193 HydrophobicContact CE1-CG2 3.85Å |
| 105 | F | 89 | Confident | 89 | Confident | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.022 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 165.4 | 170.6 | 40.1 | -89.5 | 0 | 0 | 0 | 111.7 | F110 F115 T140 F165 R166 S168 T336 | F105-F110 HydrophobicContact CB-CD2 4.21Å; F105-F110 HydrophobicContact CB-CE2 3.58Å; F105-F110 HydrophobicContact CB-CZ 4.22Å; F105-F110 HydrophobicContact CD2-CD2 4.02Å; F105-F110 HydrophobicContact CD2-CE2 4.24Å; F105-F110 AromaticContact CG-CD2 4Å; F105-F110 HydrophobicContact CG-CD2 4Å; F105-F110 AromaticContact CG-CE2 3.86Å; F105-F110 HydrophobicContact CG-CE2 3.86Å; F105-F115 AromaticContact CE1-CE1 3.85Å; F105-F115 HydrophobicContact CE1-CE1 3.85Å; F105-F115 HydrophobicContact CE1-CZ 4.3Å; F105-F115 HydrophobicContact CE2-CE1 4.48Å; F105-F115 HydrophobicContact CE2-CZ 4.36Å; F105-F115 AromaticContact CZ-CE1 3.8Å; F105-F115 HydrophobicContact CZ-CE1 3.8Å; F105-F115 AromaticContact CZ-CZ 3.79Å; F105-F115 HydrophobicContact CZ-CZ 3.79Å; F105-T140 HydrophobicContact CB-CG2 4.3Å; F105-T140 HydrophobicContact CD1-CG2 4.41Å; F105-F165 HydrophobicContact CE1-CB 3.69Å; F105-F165 AromaticContact CE1-CD1 3.96Å; F105-F165 HydrophobicContact CE1-CD1 3.96Å; F105-F165 HydrophobicContact CE1-CG 4.33Å; F105-F165 HydrophobicContact CZ-CB 4Å; F105-R166 WeakPolarHBondContact CE1-O 3.38Å; F105-R166 VanDerWaalsContact CZ-C 3.42Å; F105-R166 WeakPolarHBondContact CZ-O 3.2Å; F105-R166 PolarHBondContact N-O 3.16Å; F105-R166 VanDerWaalsContact N-O 3.15Å; F105-S168 PolarHBondContact O-N 3.24Å; F105-S168 PolarHBondContact O-OG 3.29Å; F105-T336 HydrophobicContact CD2-CG2 4.26Å; F105-T336 VanDerWaalsContact CD2-OG1 3.31Å; F105-T336 WeakPolarHBondContact CD2-OG1 3.23Å; F105-T336 HydrophobicContact CE2-CG2 4Å; F105-T336 VanDerWaalsContact CE2-OG1 3.25Å; F105-T336 WeakPolarHBondContact CE2-OG1 3.48Å |
| 106 | R | 88.1 | Confident | 88.9 | Confident | 94 Ų | 94 | 24.8 Ų | 24.8 | 36% | 0.355 | 12% | 0.118 | S | C | . | . | trans | -157 | 137 | -165.4 | -178.3 | -179.3 | 174 | 150.7 | 13.5 | 111.8 | Q108 S168 T169 N212 N214 | R106-Q108 PolarHBondContact O-N 3Å; R106-Q108 VanDerWaalsContact O-N 3.08Å; R106-S168 WeakPolarHBondContact CA-OG 3.26Å; R106-S168 WeakPolarHBondContact CB-OG 3.48Å; R106-S168 WeakPolarHBondContact CG-OG 3.44Å; R106-T169 HydrophobicContact CG-CG2 3.96Å; R106-N212 PolarHBondContact NH1-ND2 3.02Å; R106-N212 PolarHBondContact NH1-O 2.6Å; R106-N212 PolarHBondContact NH1-OD1 3.39Å; R106-N212 PolarHBondContact NH2-O 3.45Å; R106-N212 PolarHBondContact NH2-OD1 3.34Å; R106-N214 PolarHBondContact NH2-ND2 2.94Å; R106-N214 VanDerWaalsContact NH2-ND2 3.19Å | ||
| 107 | D | 86.8 | Confident | 88.7 | Confident | 55 Ų | 55 | 25 Ų | 25 | 29% | 0.294 | 12% | 0.119 | S | C | . | . | S | Bend | trans | 53.2 | 30 | 169.5 | -69.6 | -64.7 | 0 | 0 | 0 | 112.7 | T169 R259 D334 R335 | D107-T169 HydrophobicContact CB-CG2 4.48Å; D107-T169 VanDerWaalsContact N-CG2 3.31Å; D107-T169 PolarHBondContact N-OG1 2.7Å; D107-R259 IonicContact OD1-CZ 2.75Å; D107-R259 VanDerWaalsContact OD1-CZ 3.24Å; D107-R259 IonicContact OD1-NH1 2.73Å; D107-R259 PolarHBondContact OD1-NH1 2.82Å; D107-R259 IonicContact OD1-NH2 3.76Å; D107-R259 PolarHBondContact OD1-NH2 3.39Å; D107-R259 IonicContact OD2-NH2 3.34Å; D107-D334 CarbonylContact C-O 3.56Å; D107-D334 WeakPolarHBondContact CA-O 3.44Å; D107-R335 IonicContact OD1-NH1 3.03Å |
| 108 | Q | 86.7 | Confident | 88.3 | Confident | 43 Ų | 43 | 24 Ų | 24 | 20% | 0.201 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -144.6 | 141.2 | -178.2 | -70.8 | -168.3 | -21.8 | 0 | 0 | 110.7 | R106 F110 D334 | R106-Q108 PolarHBondContact O-N 3Å; R106-Q108 VanDerWaalsContact O-N 3.08Å; Q108-F110 HydrophobicContact CB-CD2 4.42Å; Q108-F110 HydrophobicContact CB-CE2 3.86Å; Q108-D334 PolarHBondContact N-O 2.76Å |
| 109 | Y | 86.7 | Confident | 88.1 | Confident | 23 Ų | 23 | 25.5 Ų | 25.5 | 9% | 0.09 | 12% | 0.121 | C | C | . | . | trans | -84.6 | 131.8 | 170.4 | 178.2 | -127.1 | 0 | 0 | 0 | 111.9 | R331 F333 R335 T336 W1599 | Y109-R331 HydrophobicContact CD1-CG 4.46Å; Y109-R331 HydrophobicContact CE1-CG 4.22Å; Y109-F333 WeakPolarHBondContact CB-O 3.41Å; Y109-F333 PolarHBondContact N-O 3.12Å; Y109-R335 VanDerWaalsContact CD2-O 3.29Å; Y109-R335 WeakPolarHBondContact CD2-O 3.46Å; Y109-T336 HydrophobicContact CD2-CG2 4.13Å; Y109-W1599 PolarHBondContact OH-NE1 3.26Å | ||
| 110 | F | 86.2 | Confident | 87.7 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | trans | -124.1 | 129.9 | 168 | -66.6 | -98.4 | 0 | 0 | 0 | 109 | F105 Q108 D114 F115 I118 T138 T140 T336 | F105-F110 HydrophobicContact CB-CD2 4.21Å; F105-F110 HydrophobicContact CB-CE2 3.58Å; F105-F110 HydrophobicContact CB-CZ 4.22Å; F105-F110 HydrophobicContact CD2-CD2 4.02Å; F105-F110 HydrophobicContact CD2-CE2 4.24Å; F105-F110 AromaticContact CG-CD2 4Å; F105-F110 HydrophobicContact CG-CD2 4Å; F105-F110 AromaticContact CG-CE2 3.86Å; F105-F110 HydrophobicContact CG-CE2 3.86Å; Q108-F110 HydrophobicContact CB-CD2 4.42Å; Q108-F110 HydrophobicContact CB-CE2 3.86Å; F110-D114 HydrophobicContact CB-CB 4.27Å; F110-D114 HydrophobicContact CD1-CB 4Å; F110-F115 HydrophobicContact CB-CD1 4.01Å; F110-F115 HydrophobicContact CB-CE1 3.39Å; F110-F115 HydrophobicContact CB-CZ 3.76Å; F110-F115 HydrophobicContact CD1-CE1 4.35Å; F110-F115 HydrophobicContact CG-CD1 4.5Å; F110-F115 AromaticContact CG-CE1 3.92Å; F110-F115 HydrophobicContact CG-CE1 3.92Å; F110-I118 HydrophobicContact CD1-CD1 3.81Å; F110-I118 HydrophobicContact CE1-CD1 3.56Å; F110-T138 VanDerWaalsContact CE1-CB 3.46Å; F110-T138 HydrophobicContact CE1-CG2 3.97Å; F110-T138 WeakPolarHBondContact CE1-OG1 3.34Å; F110-T138 HydrophobicContact CZ-CG2 4.4Å; F110-T140 HydrophobicContact CE1-CG2 3.87Å; F110-T140 HydrophobicContact CE2-CG2 4.43Å; F110-T140 HydrophobicContact CZ-CG2 3.58Å; F110-T336 HydrophobicContact CB-CG2 3.9Å; F110-T336 HydrophobicContact CD2-CG2 4.07Å | ||
| 111 | S | 84.2 | Confident | 87.3 | Confident | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | trans | -84.1 | 170 | 168 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | R113 D114 F115 | S111-R113 VanDerWaalsContact C-N 3.25Å; S111-R113 PolarHBondContact O-N 3.19Å; S111-R113 WeakPolarHBondContact OG-CB 3.46Å; S111-R113 PolarHBondContact OG-N 3.49Å; S111-D114 WeakPolarHBondContact CB-OD2 3.47Å; S111-D114 PolarHBondContact N-OD2 2.81Å; S111-D114 WeakPolarHBondContact O-CB 3.49Å; S111-D114 PolarHBondContact O-N 2.57Å; S111-D114 VanDerWaalsContact O-N 3.11Å; S111-D114 PolarHBondContact OG-N 2.75Å; S111-D114 VanDerWaalsContact OG-N 3.16Å; S111-D114 PolarHBondContact OG-OD2 3.33Å; S111-F115 PolarHBondContact O-N 2.99Å; S111-F115 VanDerWaalsContact O-N 3.11Å | ||
| 112 | R | 84.7 | Confident | 87.1 | Confident | 41 Ų | 41 | 30.6 Ų | 30.6 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67 | -26.1 | 171.9 | -64.7 | -168.4 | -172.9 | -175.7 | 13.5 | 112.7 | D114 C116 I1265 G1268 | R112-D114 VanDerWaalsContact C-N 3.35Å; R112-C116 WeakPolarHBondContact O-CB 3.31Å; R112-C116 PolarHBondContact O-N 3.37Å; R112-I1265 HydrophobicContact CB-CG2 3.85Å; R112-I1265 VanDerWaalsContact CB-O 3.3Å; R112-I1265 WeakPolarHBondContact CB-O 3.47Å; R112-I1265 WeakPolarHBondContact CD-O 3.47Å; R112-G1268 VanDerWaalsContact NH1-C 3.26Å; R112-G1268 PolarHBondContact NH1-O 3.02Å |
| 113 | R | 86.1 | Confident | 87 | Confident | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.8 | -50.4 | 165.8 | 163.7 | -158.8 | -166.6 | 74.9 | -1.1 | 109.8 | S111 F115 C116 N117 E1259 L1262 E2276 | S111-R113 VanDerWaalsContact C-N 3.25Å; S111-R113 PolarHBondContact O-N 3.19Å; S111-R113 WeakPolarHBondContact OG-CB 3.46Å; S111-R113 PolarHBondContact OG-N 3.49Å; R113-F115 PolarHBondContact O-N 3.43Å; R113-C116 WeakPolarHBondContact O-CB 3.22Å; R113-C116 PolarHBondContact O-N 2.68Å; R113-C116 VanDerWaalsContact O-N 3.15Å; R113-N117 PolarHBondContact O-N 2.85Å; R113-E1259 IonicContact CZ-OE1 2.89Å; R113-E1259 IonicContact CZ-OE2 3.27Å; R113-E1259 IonicContact NH1-OE1 2.71Å; R113-E1259 PolarHBondContact NH1-OE1 3.08Å; R113-E1259 IonicContact NH1-OE2 3.9Å; R113-E1259 PolarHBondContact NH1-OE2 3.04Å; R113-E1259 IonicContact NH2-OE2 3.56Å; R113-E1259 PolarHBondContact NH2-OE2 2.87Å; R113-L1262 HydrophobicContact CG-CB 4.45Å; R113-L1262 HydrophobicContact CG-CD1 4.49Å; R113-L1262 HydrophobicContact CG-CD2 4.39Å; R113-E2276 IonicContact CZ-OE1 2.77Å; R113-E2276 IonicContact NE-OE1 3.18Å; R113-E2276 PolarHBondContact NE-OE1 2.9Å; R113-E2276 IonicContact NH2-OE1 3.19Å; R113-E2276 PolarHBondContact NH2-OE1 3.29Å |
| 114 | D | 86.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | -177 | -56.2 | -40.3 | 0 | 0 | 0 | 111.8 | F110 S111 R112 C116 N117 I118 T2302 G2303 | F110-D114 HydrophobicContact CB-CB 4.27Å; F110-D114 HydrophobicContact CD1-CB 4Å; S111-D114 WeakPolarHBondContact CB-OD2 3.47Å; S111-D114 PolarHBondContact N-OD2 2.81Å; S111-D114 WeakPolarHBondContact O-CB 3.49Å; S111-D114 PolarHBondContact O-N 2.57Å; S111-D114 VanDerWaalsContact O-N 3.11Å; S111-D114 PolarHBondContact OG-N 2.75Å; S111-D114 VanDerWaalsContact OG-N 3.16Å; S111-D114 PolarHBondContact OG-OD2 3.33Å; R112-D114 VanDerWaalsContact C-N 3.35Å; D114-C116 VanDerWaalsContact C-N 3.34Å; D114-C116 PolarHBondContact O-N 2.97Å; D114-N117 PolarHBondContact O-N 3.49Å; D114-I118 WeakPolarHBondContact O-CB 3.34Å; D114-I118 WeakPolarHBondContact O-CD1 3.38Å; D114-I118 VanDerWaalsContact O-CG1 3.24Å; D114-I118 WeakPolarHBondContact O-CG1 3.3Å; D114-I118 PolarHBondContact O-N 3.28Å; D114-T2302 WeakPolarHBondContact OD1-CA 3.22Å; D114-T2302 WeakPolarHBondContact OD1-CB 3.33Å; D114-T2302 WeakPolarHBondContact OD1-CG2 3.49Å; D114-T2302 PolarHBondContact OD1-OG1 3.09Å; D114-G2303 PolarHBondContact OD2-N 2.98Å |
| 115 | F | 87.4 | Confident | 86.9 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -42.5 | 172.5 | -62.1 | -34 | 0 | 0 | 0 | 112.2 | F105 F110 S111 R113 I118 T119 F165 C1196 V1199 | F105-F115 AromaticContact CE1-CE1 3.85Å; F105-F115 HydrophobicContact CE1-CE1 3.85Å; F105-F115 HydrophobicContact CE1-CZ 4.3Å; F105-F115 HydrophobicContact CE2-CE1 4.48Å; F105-F115 HydrophobicContact CE2-CZ 4.36Å; F105-F115 AromaticContact CZ-CE1 3.8Å; F105-F115 HydrophobicContact CZ-CE1 3.8Å; F105-F115 AromaticContact CZ-CZ 3.79Å; F105-F115 HydrophobicContact CZ-CZ 3.79Å; F110-F115 HydrophobicContact CB-CD1 4.01Å; F110-F115 HydrophobicContact CB-CE1 3.39Å; F110-F115 HydrophobicContact CB-CZ 3.76Å; F110-F115 HydrophobicContact CD1-CE1 4.35Å; F110-F115 HydrophobicContact CG-CD1 4.5Å; F110-F115 AromaticContact CG-CE1 3.92Å; F110-F115 HydrophobicContact CG-CE1 3.92Å; S111-F115 PolarHBondContact O-N 2.99Å; S111-F115 VanDerWaalsContact O-N 3.11Å; R113-F115 PolarHBondContact O-N 3.43Å; F115-I118 PolarHBondContact O-N 3.39Å; F115-T119 WeakPolarHBondContact O-CB 3.33Å; F115-T119 PolarHBondContact O-N 3.49Å; F115-T119 PolarHBondContact O-OG1 3.25Å; F115-T119 VanDerWaalsContact O-OG1 3.14Å; F115-F165 HydrophobicContact CB-CD1 4.47Å; F115-F165 HydrophobicContact CB-CD2 4.11Å; F115-F165 HydrophobicContact CB-CE1 4.22Å; F115-F165 HydrophobicContact CB-CE2 3.86Å; F115-F165 HydrophobicContact CB-CG 4.41Å; F115-F165 HydrophobicContact CB-CZ 3.91Å; F115-F165 HydrophobicContact CD1-CB 4.18Å; F115-F165 AromaticContact CD1-CD1 3.3Å; F115-F165 HydrophobicContact CD1-CD1 3.3Å; F115-F165 HydrophobicContact CD1-CD2 4.19Å; F115-F165 AromaticContact CD1-CE1 3.61Å; F115-F165 HydrophobicContact CD1-CE1 3.61Å; F115-F165 HydrophobicContact CD1-CE2 4.44Å; F115-F165 AromaticContact CD1-CG 3.62Å; F115-F165 HydrophobicContact CD1-CG 3.62Å; F115-F165 HydrophobicContact CD1-CZ 4.18Å; F115-F165 HydrophobicContact CE1-CB 4Å; F115-F165 AromaticContact CE1-CD1 3.67Å; F115-F165 HydrophobicContact CE1-CD1 3.67Å; F115-F165 HydrophobicContact CE1-CE1 4.38Å; F115-F165 AromaticContact CE1-CG 3.93Å; F115-F165 HydrophobicContact CE1-CG 3.93Å; F115-F165 HydrophobicContact CG-CD1 4.03Å; F115-F165 HydrophobicContact CG-CD2 4.09Å; F115-F165 HydrophobicContact CG-CE1 4.22Å; F115-F165 HydrophobicContact CG-CE2 4.29Å; F115-F165 AromaticContact CG-CG 3.95Å; F115-F165 HydrophobicContact CG-CG 3.95Å; F115-F165 HydrophobicContact CG-CZ 4.35Å; F115-F165 HydrophobicContact CZ-CB 4.2Å; F115-C1196 HydrophobicContact CE2-CB 3.74Å; F115-C1196 HydrophobicContact CZ-CB 3.92Å; F115-V1199 HydrophobicContact CB-CG2 4.04Å |
| 116 | C | 85.3 | Confident | 87 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.034 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 176.6 | -165 | 0 | 0 | 0 | 0 | 112.1 | R112 R113 D114 I118 T119 Q120 V1199 L1262 I1265 | R112-C116 WeakPolarHBondContact O-CB 3.31Å; R112-C116 PolarHBondContact O-N 3.37Å; R113-C116 WeakPolarHBondContact O-CB 3.22Å; R113-C116 PolarHBondContact O-N 2.68Å; R113-C116 VanDerWaalsContact O-N 3.15Å; D114-C116 VanDerWaalsContact C-N 3.34Å; D114-C116 PolarHBondContact O-N 2.97Å; C116-I118 VanDerWaalsContact C-N 3.34Å; C116-I118 PolarHBondContact O-N 3.04Å; C116-T119 PolarHBondContact O-N 3.44Å; C116-Q120 WeakPolarHBondContact O-CG 3.38Å; C116-Q120 PolarHBondContact O-N 3.48Å; C116-Q120 PolarHBondContact SG-NE2 3.23Å; C116-V1199 HydrophobicContact CB-CG1 4.27Å; C116-L1262 HydrophobicContact CB-CD2 3.97Å; C116-I1265 HydrophobicContact CB-CD1 4.37Å; C116-I1265 HydrophobicContact CB-CG2 4.33Å |
| 117 | N | 84 | Confident | 87.2 | Confident | 22 Ų | 22 | 30.4 Ų | 30.4 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -39.1 | 177.4 | -73.9 | -12.8 | 0 | 0 | 0 | 112.2 | R113 D114 K121 L1262 | R113-N117 PolarHBondContact O-N 2.85Å; D114-N117 PolarHBondContact O-N 3.49Å; N117-K121 WeakPolarHBondContact O-CB 3.22Å; N117-K121 WeakPolarHBondContact O-CG 3.22Å; N117-K121 PolarHBondContact O-N 3.26Å; N117-K121 VanDerWaalsContact O-N 3.07Å; N117-L1262 WeakPolarHBondContact OD1-CD2 3.48Å |
| 118 | I | 86.1 | Confident | 87.4 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.7 | -45.4 | 175.5 | -71.4 | 164.7 | 0 | 0 | 0 | 110.9 | L103 F110 D114 F115 C116 Q120 K121 L122 C135 T140 F165 | L103-I118 HydrophobicContact CD1-CG2 4.25Å; F110-I118 HydrophobicContact CD1-CD1 3.81Å; F110-I118 HydrophobicContact CE1-CD1 3.56Å; D114-I118 WeakPolarHBondContact O-CB 3.34Å; D114-I118 WeakPolarHBondContact O-CD1 3.38Å; D114-I118 VanDerWaalsContact O-CG1 3.24Å; D114-I118 WeakPolarHBondContact O-CG1 3.3Å; D114-I118 PolarHBondContact O-N 3.28Å; F115-I118 PolarHBondContact O-N 3.39Å; C116-I118 VanDerWaalsContact C-N 3.34Å; C116-I118 PolarHBondContact O-N 3.04Å; I118-Q120 PolarHBondContact O-N 3.11Å; I118-K121 PolarHBondContact O-N 3.35Å; I118-L122 HydrophobicContact CG2-CD1 3.71Å; I118-L122 HydrophobicContact CG2-CG 4.36Å; I118-L122 WeakPolarHBondContact O-CB 3.37Å; I118-L122 VanDerWaalsContact O-CG 3.3Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 3.32Å; I118-C135 HydrophobicContact CG1-CB 4.36Å; I118-T140 HydrophobicContact CD1-CG2 4.45Å; I118-F165 HydrophobicContact CB-CE1 4.49Å; I118-F165 HydrophobicContact CG2-CE1 4.07Å; I118-F165 HydrophobicContact CG2-CZ 4.29Å |
| 119 | T | 88.5 | Confident | 87.6 | Confident | 35 Ų | 35 | 28.7 Ų | 28.7 | 22% | 0.215 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.3 | -47.4 | 174.7 | -67 | 0 | 0 | 0 | 0 | 111.4 | F115 C116 K121 L122 I123 I163 | F115-T119 WeakPolarHBondContact O-CB 3.33Å; F115-T119 PolarHBondContact O-N 3.49Å; F115-T119 PolarHBondContact O-OG1 3.25Å; F115-T119 VanDerWaalsContact O-OG1 3.14Å; C116-T119 PolarHBondContact O-N 3.44Å; T119-K121 VanDerWaalsContact C-N 3.31Å; T119-K121 PolarHBondContact O-N 2.72Å; T119-L122 PolarHBondContact O-N 3.34Å; T119-L122 VanDerWaalsContact O-N 3.1Å; T119-I123 HydrophobicContact CG2-CD1 4.36Å; T119-I123 WeakPolarHBondContact O-CG1 3.5Å; T119-I123 PolarHBondContact O-N 2.81Å; T119-I123 VanDerWaalsContact O-N 3.16Å; T119-I163 HydrophobicContact CG2-CD1 4.1Å |
| 120 | Q | 84.1 | Confident | 87.7 | Confident | 103 Ų | 103 | 32.1 Ų | 32.1 | 48% | 0.481 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 178 | -73.1 | 179.9 | 54.1 | 0 | 0 | 112.8 | C116 I118 L122 | C116-Q120 WeakPolarHBondContact O-CG 3.38Å; C116-Q120 PolarHBondContact O-N 3.48Å; C116-Q120 PolarHBondContact SG-NE2 3.23Å; I118-Q120 PolarHBondContact O-N 3.11Å; Q120-L122 VanDerWaalsContact C-N 3.35Å |
| 121 | K | 84.1 | Confident | 87.8 | Confident | 112 Ų | 112 | 33.4 Ų | 33.4 | 49% | 0.487 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -78 | -12.5 | 176.6 | -73.6 | 178.9 | 173.7 | -167.3 | 0 | 114.4 | N117 I118 T119 C135 N136 | N117-K121 WeakPolarHBondContact O-CB 3.22Å; N117-K121 WeakPolarHBondContact O-CG 3.22Å; N117-K121 PolarHBondContact O-N 3.26Å; N117-K121 VanDerWaalsContact O-N 3.07Å; I118-K121 PolarHBondContact O-N 3.35Å; T119-K121 VanDerWaalsContact C-N 3.31Å; T119-K121 PolarHBondContact O-N 2.72Å; K121-C135 WeakPolarHBondContact CD-SG 3.4Å; K121-N136 PolarHBondContact NZ-OD1 2.98Å |
| 122 | L | 89 | Confident | 88 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -97 | -23.3 | 178.5 | -76.6 | 174.6 | 0 | 0 | 0 | 114.1 | L103 I118 T119 Q120 G124 T125 L133 I157 I163 | L103-L122 HydrophobicContact CD1-CD1 3.75Å; I118-L122 HydrophobicContact CG2-CD1 3.71Å; I118-L122 HydrophobicContact CG2-CG 4.36Å; I118-L122 WeakPolarHBondContact O-CB 3.37Å; I118-L122 VanDerWaalsContact O-CG 3.3Å; I118-L122 WeakPolarHBondContact O-CG 3.28Å; I118-L122 PolarHBondContact O-N 3.32Å; T119-L122 PolarHBondContact O-N 3.34Å; T119-L122 VanDerWaalsContact O-N 3.1Å; Q120-L122 VanDerWaalsContact C-N 3.35Å; L122-G124 PolarHBondContact O-N 3.38Å; L122-T125 WeakPolarHBondContact O-CB 3.49Å; L122-T125 WeakPolarHBondContact O-CG2 3.46Å; L122-T125 PolarHBondContact O-N 2.8Å; L122-T125 PolarHBondContact O-OG1 3.19Å; L122-L133 HydrophobicContact CD1-CD1 4.09Å; L122-L133 HydrophobicContact CD2-CD1 3.91Å; L122-L133 HydrophobicContact CD2-CD2 4.13Å; L122-I157 HydrophobicContact CB-CD1 4.04Å; L122-I157 WeakPolarHBondContact O-CB 3.49Å; L122-I163 HydrophobicContact CB-CD1 4.32Å; L122-I163 HydrophobicContact CD1-CD1 4.21Å |
| 123 | I | 89.7 | Confident | 88.1 | Confident | 79 Ų | 79 | 40.1 Ų | 40.1 | 41% | 0.405 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 129.1 | 173.2 | -69 | 163.8 | 0 | 0 | 0 | 109.3 | T119 | T119-I123 HydrophobicContact CG2-CD1 4.36Å; T119-I123 WeakPolarHBondContact O-CG1 3.5Å; T119-I123 PolarHBondContact O-N 2.81Å; T119-I123 VanDerWaalsContact O-N 3.16Å |
| 124 | G | 90.2 | Very high | 87.8 | Confident | 26 Ų | 26 | 45 Ų | 45 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 0.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | L122 Y156 I157 | L122-G124 PolarHBondContact O-N 3.38Å; G124-Y156 WeakPolarHBondContact O-CE2 3.42Å; G124-I157 PolarHBondContact N-O 3.19Å |
| 125 | T | 91.1 | Very high | 86.9 | Confident | 38 Ų | 38 | 46 Ų | 46 | 23% | 0.233 | 24% | 0.243 | C | C | . | . | trans | -100.6 | 160.3 | -179 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | L122 I157 | L122-T125 WeakPolarHBondContact O-CB 3.49Å; L122-T125 WeakPolarHBondContact O-CG2 3.46Å; L122-T125 PolarHBondContact O-N 2.8Å; L122-T125 PolarHBondContact O-OG1 3.19Å; T125-I157 PolarHBondContact O-N 2.83Å | ||
| 126 | V | 92.2 | Very high | 85.8 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129 | 171.3 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | V39 L52 L54 K131 Y156 | V39-V126 HydrophobicContact CB-CG2 4.48Å; V39-V126 HydrophobicContact CG1-CG2 3.78Å; V39-V126 HydrophobicContact CG2-CG2 3.82Å; L52-V126 HydrophobicContact CB-CG1 3.85Å; L52-V126 WeakPolarHBondContact O-CG1 3.36Å; L54-V126 HydrophobicContact CB-CB 4.19Å; L54-V126 HydrophobicContact CB-CG2 3.87Å; V126-K131 PolarHBondContact O-NZ 2.73Å; V126-K131 VanDerWaalsContact O-NZ 3.11Å; V126-Y156 HydrophobicContact CG2-CD2 3.94Å |
| 127 | V | 92.3 | Very high | 84.9 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 157.5 | -177.6 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | L98 V142 L145 C154 G155 I157 | L98-V127 HydrophobicContact CD1-CG2 4Å; V127-V142 HydrophobicContact CB-CG2 4.33Å; V127-V142 HydrophobicContact CG1-CG2 4.43Å; V127-L145 HydrophobicContact CG2-CD1 4.37Å; V127-L145 HydrophobicContact CG2-CD2 3.9Å; V127-C154 CarbonylContact O-C 3.49Å; V127-C154 WeakPolarHBondContact O-CA 3.43Å; V127-C154 WeakPolarHBondContact O-CB 3.25Å; V127-G155 PolarHBondContact N-O 3.17Å; V127-G155 PolarHBondContact O-N 2.91Å; V127-I157 HydrophobicContact CB-CD1 4.41Å; V127-I157 HydrophobicContact CG1-CD1 3.61Å; V127-I157 HydrophobicContact CG1-CG1 4.3Å; V127-I157 HydrophobicContact CG2-CD1 3.89Å; V127-I157 HydrophobicContact CG2-CG1 3.9Å |
| 128 | H | 91.1 | Very high | 84.3 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.9 | 173.9 | 67.2 | 81.2 | 0 | 0 | 0 | 110.3 | L74 F78 N130 K131 V142 S153 C154 | L74-H128 WeakPolarHBondContact CD2-NE2 3.29Å; F78-H128 HydrophobicContact CE2-CB 4.27Å; F78-H128 HydrophobicContact CZ-CB 3.6Å; H128-N130 PolarHBondContact O-N 3.13Å; H128-K131 VanDerWaalsContact CE1-CA 3.44Å; H128-K131 WeakPolarHBondContact CE1-CA 3.29Å; H128-K131 WeakPolarHBondContact NE2-CB 3.32Å; H128-K131 WeakPolarHBondContact NE2-CG 3.5Å; H128-K131 VanDerWaalsContact O-CB 3.25Å; H128-K131 WeakPolarHBondContact O-CB 3.33Å; H128-K131 PolarHBondContact O-N 3.45Å; H128-V142 VanDerWaalsContact O-CB 3.29Å; H128-V142 WeakPolarHBondContact O-CB 3.35Å; H128-V142 WeakPolarHBondContact O-CG1 3.44Å; H128-S153 CarbonylContact C-O 3.5Å; H128-S153 VanDerWaalsContact CA-O 3.26Å; H128-S153 WeakPolarHBondContact CA-O 3.48Å; H128-S153 WeakPolarHBondContact CB-O 3.43Å; H128-C154 HydrophobicContact CB-CB 3.87Å |
| 129 | V | 90.5 | Very high | 84.2 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 136.4 | 176.3 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | K131 L145 Y152 S153 | V129-K131 PolarHBondContact O-N 2.86Å; V129-L145 HydrophobicContact CG2-CD1 4.1Å; V129-L145 HydrophobicContact CG2-CG 4.06Å; V129-Y152 WeakPolarHBondContact CG2-O 3.15Å; V129-S153 PolarHBondContact N-O 2.8Å |
| 130 | N | 88.7 | Confident | 84.2 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 51% | 0.513 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 11 | -174.3 | -59.1 | -47.8 | 0 | 0 | 0 | 116.7 | H128 K132 Q141 V142 | H128-N130 PolarHBondContact O-N 3.13Å; N130-K132 PolarHBondContact O-N 3.04Å; N130-Q141 PolarHBondContact OD1-NE2 3.01Å; N130-V142 VanDerWaalsContact CA-O 3.32Å; N130-V142 WeakPolarHBondContact CA-O 3.37Å; N130-V142 PolarHBondContact N-O 2.8Å |
| 131 | K | 89.1 | Confident | 84.6 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 14% | 0.143 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -58 | 125.2 | 169.1 | -165.3 | 167.5 | -166.4 | 162.6 | 0 | 109.4 | D23 V126 H128 V129 L133 Q141 V142 | D23-K131 IonicContact OD2-NZ 3.81Å; D23-K131 PolarHBondContact OD2-NZ 3.05Å; V126-K131 PolarHBondContact O-NZ 2.73Å; V126-K131 VanDerWaalsContact O-NZ 3.11Å; H128-K131 VanDerWaalsContact CE1-CA 3.44Å; H128-K131 WeakPolarHBondContact CE1-CA 3.29Å; H128-K131 WeakPolarHBondContact NE2-CB 3.32Å; H128-K131 WeakPolarHBondContact NE2-CG 3.5Å; H128-K131 VanDerWaalsContact O-CB 3.25Å; H128-K131 WeakPolarHBondContact O-CB 3.33Å; H128-K131 PolarHBondContact O-N 3.45Å; V129-K131 PolarHBondContact O-N 2.86Å; K131-L133 HydrophobicContact CD-CD2 4.21Å; K131-L133 HydrophobicContact CG-CD2 4.17Å; K131-Q141 WeakPolarHBondContact O-CA 3.46Å; K131-V142 HydrophobicContact CB-CB 4.18Å; K131-V142 HydrophobicContact CB-CG2 3.87Å; K131-V142 PolarHBondContact O-N 2.9Å |
| 132 | K | 88 | Confident | 85 | Confident | 160 Ų | 160 | 50.4 Ų | 50.4 | 70% | 0.696 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 118 | 172.9 | -69.2 | 177.8 | -177.5 | 172.5 | 0 | 108.4 | N130 | N130-K132 PolarHBondContact O-N 3.04Å |
| 133 | L | 86.2 | Confident | 85.1 | Confident | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136.3 | 179.8 | -57.9 | 169 | 0 | 0 | 0 | 108.5 | L103 L122 K131 T140 V142 | L103-L133 HydrophobicContact CD2-CD1 3.92Å; L122-L133 HydrophobicContact CD1-CD1 4.09Å; L122-L133 HydrophobicContact CD2-CD1 3.91Å; L122-L133 HydrophobicContact CD2-CD2 4.13Å; K131-L133 HydrophobicContact CD-CD2 4.21Å; K131-L133 HydrophobicContact CG-CD2 4.17Å; L133-T140 WeakPolarHBondContact CB-OG1 3.4Å; L133-T140 PolarHBondContact N-O 3.37Å; L133-T140 PolarHBondContact O-N 3.13Å; L133-V142 HydrophobicContact CD1-CG2 3.7Å; L133-V142 HydrophobicContact CG-CG2 4.09Å |
| 134 | T | 79.6 | Confident | 85.2 | Confident | 104 Ų | 104 | 46.7 Ų | 46.7 | 64% | 0.638 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 117.3 | 176.9 | 49.5 | 0 | 0 | 0 | 0 | 109 | T138 | T134-T138 WeakPolarHBondContact CA-O 3.49Å |
| 135 | C | 67.3 | Low | 85.4 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 119.9 | -177.5 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | I118 K121 E137 T138 | I118-C135 HydrophobicContact CG1-CB 4.36Å; K121-C135 WeakPolarHBondContact CD-SG 3.4Å; C135-E137 VanDerWaalsContact C-N 3.34Å; C135-E137 PolarHBondContact O-N 2.86Å; C135-T138 PolarHBondContact N-O 2.96Å; C135-T138 VanDerWaalsContact N-O 3.1Å; C135-T138 WeakPolarHBondContact O-CB 3.37Å; C135-T138 PolarHBondContact O-N 2.91Å; C135-T138 PolarHBondContact O-OG1 2.85Å |
| 136 | N | 63.9 | Low | 85.5 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 17% | 0.171 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 54.6 | -176.6 | -59.1 | 25.7 | 0 | 0 | 0 | 111.4 | K121 T138 | K121-N136 PolarHBondContact NZ-OD1 2.98Å; N136-T138 PolarHBondContact O-N 2.8Å |
| 137 | E | 67.7 | Low | 85.5 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 43% | 0.43 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -14.7 | -168 | -59.8 | 103.9 | -163.7 | 0 | 0 | 118.7 | C135 R2305 | C135-E137 VanDerWaalsContact C-N 3.34Å; C135-E137 PolarHBondContact O-N 2.86Å; E137-R2305 IonicContact OE1-CZ 2.94Å; E137-R2305 VanDerWaalsContact OE1-CZ 3.24Å; E137-R2305 IonicContact OE1-NH1 2.73Å; E137-R2305 PolarHBondContact OE1-NH1 3.25Å; E137-R2305 IonicContact OE1-NH2 3.01Å; E137-R2305 PolarHBondContact OE1-NH2 3.25Å; E137-R2305 VanDerWaalsContact OE1-NH2 3.12Å; E137-R2305 IonicContact OE2-CZ 2.76Å; E137-R2305 IonicContact OE2-NE 3.95Å; E137-R2305 IonicContact OE2-NH1 3.13Å; E137-R2305 PolarHBondContact OE2-NH1 3.5Å; E137-R2305 IonicContact OE2-NH2 3.33Å |
| 138 | T | 71.6 | Confident | 85.3 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 149.1 | 174.5 | 75.7 | 0 | 0 | 0 | 0 | 111.4 | F110 T134 C135 N136 T2302 | F110-T138 VanDerWaalsContact CE1-CB 3.46Å; F110-T138 HydrophobicContact CE1-CG2 3.97Å; F110-T138 WeakPolarHBondContact CE1-OG1 3.34Å; F110-T138 HydrophobicContact CZ-CG2 4.4Å; T134-T138 WeakPolarHBondContact CA-O 3.49Å; C135-T138 PolarHBondContact N-O 2.96Å; C135-T138 VanDerWaalsContact N-O 3.1Å; C135-T138 WeakPolarHBondContact O-CB 3.37Å; C135-T138 PolarHBondContact O-N 2.91Å; C135-T138 PolarHBondContact O-OG1 2.85Å; N136-T138 PolarHBondContact O-N 2.8Å; T138-T2302 HydrophobicContact CG2-CG2 3.79Å |
| 139 | R | 84.1 | Confident | 85.1 | Confident | 175 Ų | 175 | 57.5 Ų | 57.5 | 66% | 0.66 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 116.8 | -170.2 | -58.9 | 177.5 | -173.9 | 170.9 | 1.5 | 110.5 | ||
| 140 | T | 88.6 | Confident | 85 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 157.9 | 173.5 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | Y104 F105 F110 I118 L133 | Y104-T140 CarbonylContact O-C 3.57Å; Y104-T140 WeakPolarHBondContact O-CA 3.19Å; F105-T140 HydrophobicContact CB-CG2 4.3Å; F105-T140 HydrophobicContact CD1-CG2 4.41Å; F110-T140 HydrophobicContact CE1-CG2 3.87Å; F110-T140 HydrophobicContact CE2-CG2 4.43Å; F110-T140 HydrophobicContact CZ-CG2 3.58Å; I118-T140 HydrophobicContact CD1-CG2 4.45Å; L133-T140 WeakPolarHBondContact CB-OG1 3.4Å; L133-T140 PolarHBondContact N-O 3.37Å; L133-T140 PolarHBondContact O-N 3.13Å |
| 141 | Q | 91.4 | Very high | 85.1 | Confident | 73 Ų | 73 | 59.4 Ų | 59.4 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.4 | 178.9 | 178.4 | 172 | -29.9 | 0 | 0 | 109.6 | Y104 N130 K131 G143 | Y104-Q141 PolarHBondContact N-O 2.86Å; Y104-Q141 PolarHBondContact O-N 2.72Å; N130-Q141 PolarHBondContact OD1-NE2 3.01Å; K131-Q141 WeakPolarHBondContact O-CA 3.46Å; Q141-G143 PolarHBondContact O-N 3.22Å |
| 142 | V | 93.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 127.2 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 110.1 | L103 V127 H128 N130 K131 L133 L145 | L103-V142 HydrophobicContact CD2-CB 4.36Å; L103-V142 HydrophobicContact CD2-CG2 3.79Å; V127-V142 HydrophobicContact CB-CG2 4.33Å; V127-V142 HydrophobicContact CG1-CG2 4.43Å; H128-V142 VanDerWaalsContact O-CB 3.29Å; H128-V142 WeakPolarHBondContact O-CB 3.35Å; H128-V142 WeakPolarHBondContact O-CG1 3.44Å; N130-V142 VanDerWaalsContact CA-O 3.32Å; N130-V142 WeakPolarHBondContact CA-O 3.37Å; N130-V142 PolarHBondContact N-O 2.8Å; K131-V142 HydrophobicContact CB-CB 4.18Å; K131-V142 HydrophobicContact CB-CG2 3.87Å; K131-V142 PolarHBondContact O-N 2.9Å; L133-V142 HydrophobicContact CD1-CG2 3.7Å; L133-V142 HydrophobicContact CG-CG2 4.09Å; V142-L145 HydrophobicContact CG1-CD2 3.57Å; V142-L145 HydrophobicContact CG1-CG 4.24Å |
| 143 | G | 90.7 | Very high | 85.3 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -131 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E102 Q141 | E102-G143 WeakPolarHBondContact O-CA 3.12Å; E102-G143 PolarHBondContact O-N 3.21Å; Q141-G143 PolarHBondContact O-N 3.22Å |
| 144 | D | 91.2 | Very high | 85.6 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 139.2 | 173.7 | -70.7 | -50.2 | 0 | 0 | 0 | 111.2 | E102 R151 H914 K1189 | E102-D144 PolarHBondContact N-O 3.33Å; D144-R151 IonicContact OD1-CZ 3.87Å; D144-R151 VanDerWaalsContact OD1-CZ 3.28Å; D144-R151 IonicContact OD1-NE 3.75Å; D144-R151 PolarHBondContact OD1-NE 3.45Å; D144-R151 IonicContact OD1-NH2 3.25Å; D144-R151 PolarHBondContact OD1-NH2 3.19Å; D144-R151 IonicContact OD2-CZ 3.78Å; D144-R151 IonicContact OD2-NE 2.95Å; D144-R151 IonicContact OD2-NH2 2.72Å; D144-R151 PolarHBondContact OD2-NH2 3.41Å; D144-H914 IonicContact OD2-CD2 3.8Å; D144-K1189 IonicContact OD2-NZ 3.18Å; D144-K1189 PolarHBondContact OD2-NZ 3.21Å |
| 145 | L | 94.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.7 | 169.5 | -52.6 | 175.3 | 0 | 0 | 0 | 109.1 | L98 V101 V127 V129 V142 R151 Y152 | L98-L145 HydrophobicContact CD1-CB 4.07Å; L98-L145 HydrophobicContact CD1-CD1 4.24Å; L98-L145 HydrophobicContact CD1-CD2 3.84Å; L98-L145 HydrophobicContact CD1-CG 4.28Å; L98-L145 HydrophobicContact CD2-CB 4.26Å; V101-L145 HydrophobicContact CB-CD2 4.3Å; V101-L145 HydrophobicContact CG1-CD2 3.87Å; V101-L145 HydrophobicContact CG2-CD2 3.88Å; V127-L145 HydrophobicContact CG2-CD1 4.37Å; V127-L145 HydrophobicContact CG2-CD2 3.9Å; V129-L145 HydrophobicContact CG2-CD1 4.1Å; V129-L145 HydrophobicContact CG2-CG 4.06Å; V142-L145 HydrophobicContact CG1-CD2 3.57Å; V142-L145 HydrophobicContact CG1-CG 4.24Å; L145-R151 WeakPolarHBondContact O-CA 3.31Å; L145-Y152 WeakPolarHBondContact CB-O 3.2Å; L145-Y152 PolarHBondContact O-N 3.27Å |
| 146 | W | 93.4 | Very high | 87.5 | Confident | 63 Ų | 63 | 52 Ų | 52 | 24% | 0.239 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.4 | -173.5 | -65.6 | 86.9 | 0 | 0 | 0 | 112.7 | D99 L100 G149 E150 R151 | D99-W146 PolarHBondContact N-O 3.22Å; L100-W146 HydrophobicContact CB-CB 4.16Å; L100-W146 HydrophobicContact CD2-CB 4.38Å; L100-W146 HydrophobicContact CD2-CG 4.22Å; L100-W146 PolarHBondContact N-O 3.2Å; L100-W146 PolarHBondContact O-N 3.24Å; W146-G149 WeakPolarHBondContact CZ3-O 3.4Å; W146-E150 VanDerWaalsContact CA-O 3.3Å; W146-E150 WeakPolarHBondContact CA-O 3.34Å; W146-R151 HydrophobicContact CD2-CG 3.98Å; W146-R151 HydrophobicContact CE3-CG 3.92Å; W146-R151 HydrophobicContact CH2-CG 3.84Å; W146-R151 HydrophobicContact CZ2-CG 3.88Å; W146-R151 HydrophobicContact CZ3-CG 3.86Å |
| 147 | R | 92.2 | Very high | 89 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 19% | 0.189 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 133.2 | 176.3 | -168.9 | -176.9 | -176.9 | -141.5 | 0.7 | 110.7 | E94 T95 S97 L98 D99 G149 E150 Y152 | E94-R147 PolarHBondContact O-NH2 3.02Å; T95-R147 PolarHBondContact O-NH1 3.19Å; T95-R147 PolarHBondContact O-NH2 2.84Å; S97-R147 VanDerWaalsContact O-CD 3.22Å; S97-R147 WeakPolarHBondContact O-CD 3.46Å; S97-R147 PolarHBondContact O-NE 2.91Å; L98-R147 HydrophobicContact CD2-CB 4.26Å; D99-R147 WeakPolarHBondContact OD2-CA 3.47Å; R147-G149 PolarHBondContact O-N 2.85Å; R147-G149 VanDerWaalsContact O-N 3.08Å; R147-E150 PolarHBondContact N-O 2.62Å; R147-E150 PolarHBondContact O-N 3.16Å; R147-Y152 HydrophobicContact CB-CD2 3.78Å; R147-Y152 HydrophobicContact CB-CE2 3.77Å |
| 148 | L | 89.9 | Confident | 90.1 | Very high | 141 Ų | 141 | 48.3 Ų | 48.3 | 74% | 0.738 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 27.7 | -175.1 | -59 | 177.3 | 0 | 0 | 0 | 114.2 | D99 E150 | D99-L148 PolarHBondContact OD2-N 3.49Å; L148-E150 VanDerWaalsContact C-N 3.31Å |
| 149 | G | 85.4 | Confident | 90.7 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 65% | 0.649 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -3.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | W146 R147 | W146-G149 WeakPolarHBondContact CZ3-O 3.4Å; R147-G149 PolarHBondContact O-N 2.85Å; R147-G149 VanDerWaalsContact O-N 3.08Å |
| 150 | E | 89.1 | Confident | 90.8 | Very high | 121 Ų | 121 | 51.7 Ų | 51.7 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 167.6 | 175.6 | -66 | -177.2 | 149.7 | 0 | 0 | 112 | W146 R147 L148 Y152 | W146-E150 VanDerWaalsContact CA-O 3.3Å; W146-E150 WeakPolarHBondContact CA-O 3.34Å; R147-E150 PolarHBondContact N-O 2.62Å; R147-E150 PolarHBondContact O-N 3.16Å; L148-E150 VanDerWaalsContact C-N 3.31Å; E150-Y152 HydrophobicContact CB-CE2 3.85Å; E150-Y152 PolarHBondContact OE2-OH 3.29Å |
| 151 | R | 91.4 | Very high | 91 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 23% | 0.226 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 140.2 | -179.8 | -87.9 | 177.4 | 156.3 | 149.3 | -1.7 | 112.2 | D144 L145 W146 P913 H914 | D144-R151 IonicContact OD1-CZ 3.87Å; D144-R151 VanDerWaalsContact OD1-CZ 3.28Å; D144-R151 IonicContact OD1-NE 3.75Å; D144-R151 PolarHBondContact OD1-NE 3.45Å; D144-R151 IonicContact OD1-NH2 3.25Å; D144-R151 PolarHBondContact OD1-NH2 3.19Å; D144-R151 IonicContact OD2-CZ 3.78Å; D144-R151 IonicContact OD2-NE 2.95Å; D144-R151 IonicContact OD2-NH2 2.72Å; D144-R151 PolarHBondContact OD2-NH2 3.41Å; L145-R151 WeakPolarHBondContact O-CA 3.31Å; W146-R151 HydrophobicContact CD2-CG 3.98Å; W146-R151 HydrophobicContact CE3-CG 3.92Å; W146-R151 HydrophobicContact CH2-CG 3.84Å; W146-R151 HydrophobicContact CZ2-CG 3.88Å; W146-R151 HydrophobicContact CZ3-CG 3.86Å; R151-P913 PolarHBondContact NH2-O 2.96Å; R151-H914 PolarHBondContact NH1-O 3.44Å; R151-H914 PolarHBondContact NH2-CD2 3.36Å; R151-H914 VanDerWaalsContact NH2-CD2 3.29Å |
| 152 | Y | 91.4 | Very high | 90.8 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 33% | 0.329 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.3 | -178.2 | -72.7 | -99.5 | 0 | 0 | 0 | 111.6 | V129 L145 R147 E150 | V129-Y152 WeakPolarHBondContact CG2-O 3.15Å; L145-Y152 WeakPolarHBondContact CB-O 3.2Å; L145-Y152 PolarHBondContact O-N 3.27Å; R147-Y152 HydrophobicContact CB-CD2 3.78Å; R147-Y152 HydrophobicContact CB-CE2 3.77Å; E150-Y152 HydrophobicContact CB-CE2 3.85Å; E150-Y152 PolarHBondContact OE2-OH 3.29Å |
| 153 | S | 89.6 | Confident | 90.7 | Very high | 71 Ų | 71 | 52 Ų | 52 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -81.7 | -25.3 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | H128 V129 | H128-S153 CarbonylContact C-O 3.5Å; H128-S153 VanDerWaalsContact CA-O 3.26Å; H128-S153 WeakPolarHBondContact CA-O 3.48Å; H128-S153 WeakPolarHBondContact CB-O 3.43Å; V129-S153 PolarHBondContact N-O 2.8Å |
| 154 | C | 92.3 | Very high | 90.7 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 8% | 0.081 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 164.7 | 176.3 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | L52 F78 V127 H128 | L52-C154 HydrophobicContact CB-CB 4.35Å; L52-C154 VanDerWaalsContact CG-SG 3.6Å; L52-C154 PolarHBondContact N-SG 3.07Å; F78-C154 HydrophobicContact CE1-CB 4.09Å; F78-C154 HydrophobicContact CZ-CB 3.9Å; V127-C154 CarbonylContact O-C 3.49Å; V127-C154 WeakPolarHBondContact O-CA 3.43Å; V127-C154 WeakPolarHBondContact O-CB 3.25Å; H128-C154 HydrophobicContact CB-CB 3.87Å |
| 155 | G | 93.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.9 | 176 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V127 | V127-G155 PolarHBondContact N-O 3.17Å; V127-G155 PolarHBondContact O-N 2.91Å |
| 156 | Y | 94.4 | Very high | 90.5 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 11% | 0.106 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.9 | -179.4 | -179 | -102.3 | 0 | 0 | 0 | 111.2 | V39 K93 I96 S97 L98 G124 V126 D158 | V39-Y156 HydrophobicContact CG2-CD2 3.9Å; V39-Y156 HydrophobicContact CG2-CE2 4.14Å; K93-Y156 HydrophobicContact CB-CD1 4.06Å; K93-Y156 HydrophobicContact CB-CE1 3.85Å; K93-Y156 HydrophobicContact CD-CE1 4.36Å; K93-Y156 HydrophobicContact CD-CE2 4.26Å; K93-Y156 HydrophobicContact CG-CD1 4.48Å; K93-Y156 HydrophobicContact CG-CE1 4.15Å; K93-Y156 HydrophobicContact CG-CE2 4.16Å; I96-Y156 PolarHBondContact O-N 3.16Å; S97-Y156 WeakPolarHBondContact CA-O 3.4Å; L98-Y156 PolarHBondContact N-O 3.21Å; G124-Y156 WeakPolarHBondContact O-CE2 3.42Å; V126-Y156 HydrophobicContact CG2-CD2 3.94Å; Y156-D158 HydrophobicContact CD1-CB 4.41Å; Y156-D158 HydrophobicContact CE1-CB 4.28Å |
| 157 | I | 93.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -95.6 | 111.5 | 174.7 | -60.1 | -178.7 | 0 | 0 | 0 | 108.9 | V101 L122 G124 T125 V127 T161 I163 | V101-I157 HydrophobicContact CG2-CD1 4.43Å; V101-I157 HydrophobicContact CG2-CG1 4.31Å; L122-I157 HydrophobicContact CB-CD1 4.04Å; L122-I157 WeakPolarHBondContact O-CB 3.49Å; G124-I157 PolarHBondContact N-O 3.19Å; T125-I157 PolarHBondContact O-N 2.83Å; V127-I157 HydrophobicContact CB-CD1 4.41Å; V127-I157 HydrophobicContact CG1-CD1 3.61Å; V127-I157 HydrophobicContact CG1-CG1 4.3Å; V127-I157 HydrophobicContact CG2-CD1 3.89Å; V127-I157 HydrophobicContact CG2-CG1 3.9Å; I157-T161 HydrophobicContact CG2-CG2 4.24Å; I157-I163 HydrophobicContact CG2-CD1 4.38Å | ||
| 158 | D | 90.6 | Very high | 90.2 | Very high | 44 Ų | 44 | 49.5 Ų | 49.5 | 24% | 0.235 | 26% | 0.263 | C | S | . | . | trans | -95.4 | 164.9 | 169.5 | 179.4 | 33.2 | 0 | 0 | 0 | 110.4 | Y156 K160 T161 | Y156-D158 HydrophobicContact CD1-CB 4.41Å; Y156-D158 HydrophobicContact CE1-CB 4.28Å; D158-K160 PolarHBondContact O-N 2.94Å; D158-T161 PolarHBondContact N-OG1 2.75Å; D158-T161 VanDerWaalsContact O-CB 3.3Å; D158-T161 WeakPolarHBondContact O-CB 3.45Å; D158-T161 PolarHBondContact O-N 2.76Å; D158-T161 PolarHBondContact O-OG1 3.28Å | ||
| 159 | S | 86 | Confident | 90.3 | Very high | 78 Ų | 78 | 42.8 Ų | 42.8 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -22.3 | 166.6 | 58.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 160 | K | 86.5 | Confident | 90.5 | Very high | 173 Ų | 173 | 39.8 Ų | 39.8 | 75% | 0.752 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -8.8 | 178.1 | -62.3 | 167.1 | -173.2 | 162.3 | 0 | 114.1 | D158 K162 | D158-K160 PolarHBondContact O-N 2.94Å; K160-K162 PolarHBondContact O-N 2.99Å |
| 161 | T | 91.1 | Very high | 90.4 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 118.7 | -177 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | L98 V101 I157 D158 I163 | L98-T161 HydrophobicContact CB-CG2 3.94Å; L98-T161 WeakPolarHBondContact O-CA 3.32Å; L98-T161 VanDerWaalsContact O-CB 3.29Å; L98-T161 WeakPolarHBondContact O-CB 3.32Å; L98-T161 WeakPolarHBondContact O-CG2 3.43Å; L98-T161 PolarHBondContact O-OG1 3.35Å; V101-T161 HydrophobicContact CB-CG2 4.48Å; V101-T161 HydrophobicContact CG2-CG2 3.68Å; I157-T161 HydrophobicContact CG2-CG2 4.24Å; D158-T161 PolarHBondContact N-OG1 2.75Å; D158-T161 VanDerWaalsContact O-CB 3.3Å; D158-T161 WeakPolarHBondContact O-CB 3.45Å; D158-T161 PolarHBondContact O-N 2.76Å; D158-T161 PolarHBondContact O-OG1 3.28Å; T161-I163 PolarHBondContact O-N 3.21Å |
| 162 | K | 88.5 | Confident | 90.5 | Very high | 69 Ų | 69 | 32.4 Ų | 32.4 | 30% | 0.3 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 120.4 | -179.9 | -174.5 | 165.1 | -171.2 | 163.1 | 0 | 111.9 | D99 L100 V101 K160 | D99-K162 PolarHBondContact O-N 3.49Å; L100-K162 CarbonylContact C-O 2.91Å; L100-K162 VanDerWaalsContact CA-O 3.27Å; L100-K162 WeakPolarHBondContact CA-O 2.95Å; V101-K162 PolarHBondContact N-O 3.48Å; K160-K162 PolarHBondContact O-N 2.99Å |
| 163 | I | 90.5 | Very high | 90.6 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.2 | 177.3 | -54.3 | -173.5 | 0 | 0 | 0 | 110 | V101 L103 T119 L122 I157 T161 F165 | V101-I163 WeakPolarHBondContact O-CA 3.4Å; L103-I163 HydrophobicContact CD1-CG2 3.58Å; L103-I163 HydrophobicContact CG-CG2 3.92Å; T119-I163 HydrophobicContact CG2-CD1 4.1Å; L122-I163 HydrophobicContact CB-CD1 4.32Å; L122-I163 HydrophobicContact CD1-CD1 4.21Å; I157-I163 HydrophobicContact CG2-CD1 4.38Å; T161-I163 PolarHBondContact O-N 3.21Å; I163-F165 HydrophobicContact CB-CE2 4.23Å; I163-F165 HydrophobicContact CG2-CD2 4.24Å; I163-F165 HydrophobicContact CG2-CE1 4.37Å; I163-F165 HydrophobicContact CG2-CE2 3.68Å; I163-F165 HydrophobicContact CG2-CZ 3.76Å |
| 164 | I | 89.9 | Confident | 90.9 | Very high | 32 Ų | 32 | 25.7 Ų | 25.7 | 16% | 0.164 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.8 | 175.1 | -62.5 | -170.9 | 0 | 0 | 0 | 109.9 | L100 V101 E102 L103 R166 A1195 | L100-I164 HydrophobicContact CD1-CD1 3.76Å; L100-I164 HydrophobicContact CD1-CG1 4.45Å; L100-I164 HydrophobicContact CD2-CD1 4.44Å; L100-I164 HydrophobicContact CG-CD1 4.23Å; L100-I164 HydrophobicContact CG-CG1 4.44Å; V101-I164 PolarHBondContact O-N 3.06Å; E102-I164 CarbonylContact C-O 3.59Å; E102-I164 WeakPolarHBondContact CA-O 3.4Å; E102-I164 HydrophobicContact CG-CB 4.38Å; L103-I164 PolarHBondContact N-O 3.45Å; I164-R166 HydrophobicContact CG2-CG 4.3Å; I164-A1195 HydrophobicContact CG2-CB 4.29Å |
| 165 | F | 90.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.3 | 178.4 | -69.1 | -85.5 | 0 | 0 | 0 | 110.2 | L103 F105 F115 I118 I163 A1195 C1196 | L103-F165 HydrophobicContact CB-CD1 4.32Å; L103-F165 HydrophobicContact CD1-CD1 4.28Å; L103-F165 HydrophobicContact CD1-CE1 3.72Å; L103-F165 HydrophobicContact CD1-CZ 4.18Å; F105-F165 HydrophobicContact CE1-CB 3.69Å; F105-F165 AromaticContact CE1-CD1 3.96Å; F105-F165 HydrophobicContact CE1-CD1 3.96Å; F105-F165 HydrophobicContact CE1-CG 4.33Å; F105-F165 HydrophobicContact CZ-CB 4Å; F115-F165 HydrophobicContact CB-CD1 4.47Å; F115-F165 HydrophobicContact CB-CD2 4.11Å; F115-F165 HydrophobicContact CB-CE1 4.22Å; F115-F165 HydrophobicContact CB-CE2 3.86Å; F115-F165 HydrophobicContact CB-CG 4.41Å; F115-F165 HydrophobicContact CB-CZ 3.91Å; F115-F165 HydrophobicContact CD1-CB 4.18Å; F115-F165 AromaticContact CD1-CD1 3.3Å; F115-F165 HydrophobicContact CD1-CD1 3.3Å; F115-F165 HydrophobicContact CD1-CD2 4.19Å; F115-F165 AromaticContact CD1-CE1 3.61Å; F115-F165 HydrophobicContact CD1-CE1 3.61Å; F115-F165 HydrophobicContact CD1-CE2 4.44Å; F115-F165 AromaticContact CD1-CG 3.62Å; F115-F165 HydrophobicContact CD1-CG 3.62Å; F115-F165 HydrophobicContact CD1-CZ 4.18Å; F115-F165 HydrophobicContact CE1-CB 4Å; F115-F165 AromaticContact CE1-CD1 3.67Å; F115-F165 HydrophobicContact CE1-CD1 3.67Å; F115-F165 HydrophobicContact CE1-CE1 4.38Å; F115-F165 AromaticContact CE1-CG 3.93Å; F115-F165 HydrophobicContact CE1-CG 3.93Å; F115-F165 HydrophobicContact CG-CD1 4.03Å; F115-F165 HydrophobicContact CG-CD2 4.09Å; F115-F165 HydrophobicContact CG-CE1 4.22Å; F115-F165 HydrophobicContact CG-CE2 4.29Å; F115-F165 AromaticContact CG-CG 3.95Å; F115-F165 HydrophobicContact CG-CG 3.95Å; F115-F165 HydrophobicContact CG-CZ 4.35Å; F115-F165 HydrophobicContact CZ-CB 4.2Å; I118-F165 HydrophobicContact CB-CE1 4.49Å; I118-F165 HydrophobicContact CG2-CE1 4.07Å; I118-F165 HydrophobicContact CG2-CZ 4.29Å; I163-F165 HydrophobicContact CB-CE2 4.23Å; I163-F165 HydrophobicContact CG2-CD2 4.24Å; I163-F165 HydrophobicContact CG2-CE1 4.37Å; I163-F165 HydrophobicContact CG2-CE2 3.68Å; I163-F165 HydrophobicContact CG2-CZ 3.76Å; F165-A1195 CarbonylContact O-C 3.53Å; F165-A1195 WeakPolarHBondContact O-CA 3.37Å; F165-C1196 HydrophobicContact CB-CB 4.18Å; F165-C1196 PolarHBondContact O-N 3.46Å |
| 166 | R | 90.3 | Very high | 91.3 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 11% | 0.106 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 133.7 | -179.3 | -73.5 | -171.8 | -178.6 | -82.8 | -0 | 113 | E102 L103 Y104 F105 I164 V1193 P1194 | E102-R166 IonicContact OE1-CZ 3.96Å; E102-R166 VanDerWaalsContact OE1-CZ 3.25Å; E102-R166 IonicContact OE1-NE 3.54Å; E102-R166 PolarHBondContact OE1-NE 3.04Å; E102-R166 IonicContact OE1-NH2 3.04Å; E102-R166 PolarHBondContact OE1-NH2 3.11Å; E102-R166 IonicContact OE2-NE 2.71Å; L103-R166 PolarHBondContact O-N 3.16Å; Y104-R166 WeakPolarHBondContact CA-O 3.22Å; Y104-R166 HydrophobicContact CD1-CB 3.68Å; Y104-R166 HydrophobicContact CE1-CB 3.81Å; Y104-R166 HydrophobicContact CE1-CG 4.31Å; F105-R166 WeakPolarHBondContact CE1-O 3.38Å; F105-R166 VanDerWaalsContact CZ-C 3.42Å; F105-R166 WeakPolarHBondContact CZ-O 3.2Å; F105-R166 PolarHBondContact N-O 3.16Å; F105-R166 VanDerWaalsContact N-O 3.15Å; I164-R166 HydrophobicContact CG2-CG 4.3Å; R166-V1193 HydrophobicContact CB-CB 4.35Å; R166-V1193 WeakPolarHBondContact CD-O 3.47Å; R166-V1193 PolarHBondContact NH1-O 3.43Å; R166-P1194 WeakPolarHBondContact CA-O 3.35Å |
| 167 | S | 90.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 125.3 | -177.3 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | T169 T336 V1193 P1194 | S167-T169 VanDerWaalsContact C-N 3.3Å; S167-T169 PolarHBondContact OG-N 2.84Å; S167-T169 PolarHBondContact OG-O 2.7Å; S167-T169 VanDerWaalsContact OG-O 3.1Å; S167-T336 WeakPolarHBondContact CB-O 3.41Å; S167-T336 PolarHBondContact OG-O 2.86Å; S167-T336 PolarHBondContact OG-OG1 2.86Å; S167-V1193 WeakPolarHBondContact O-CA 3.34Å; S167-P1194 PolarHBondContact N-O 3.07Å; S167-P1194 WeakPolarHBondContact O-CD 3.26Å |
| 168 | S | 90.1 | Very high | 91.5 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 8% | 0.084 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -87.5 | 0.1 | 165 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | F105 R106 C213 N214 | F105-S168 PolarHBondContact O-N 3.24Å; F105-S168 PolarHBondContact O-OG 3.29Å; R106-S168 WeakPolarHBondContact CA-OG 3.26Å; R106-S168 WeakPolarHBondContact CB-OG 3.48Å; R106-S168 WeakPolarHBondContact CG-OG 3.44Å; S168-C213 WeakPolarHBondContact O-CA 3.39Å; S168-N214 PolarHBondContact O-N 3.22Å |
| 169 | T | 90.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -139.8 | 72.5 | -177.1 | 50 | 0 | 0 | 0 | 0 | 110 | R106 D107 S167 N214 R335 T336 | R106-T169 HydrophobicContact CG-CG2 3.96Å; D107-T169 HydrophobicContact CB-CG2 4.48Å; D107-T169 VanDerWaalsContact N-CG2 3.31Å; D107-T169 PolarHBondContact N-OG1 2.7Å; S167-T169 VanDerWaalsContact C-N 3.3Å; S167-T169 PolarHBondContact OG-N 2.84Å; S167-T169 PolarHBondContact OG-O 2.7Å; S167-T169 VanDerWaalsContact OG-O 3.1Å; T169-N214 WeakPolarHBondContact CA-O 3.4Å; T169-N214 HydrophobicContact CG2-CB 3.85Å; T169-N214 WeakPolarHBondContact CG2-O 3.41Å; T169-R335 WeakPolarHBondContact O-CA 3.37Å; T169-R335 WeakPolarHBondContact O-CD 3.4Å; T169-T336 PolarHBondContact O-N 2.88Å |
| 170 | A | 89.7 | Confident | 92 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -109.3 | 160.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H215 D216 T336 P1194 | A170-H215 PolarHBondContact N-ND1 2.88Å; A170-H215 VanDerWaalsContact O-CA 3.28Å; A170-H215 WeakPolarHBondContact O-CA 3.23Å; A170-H215 WeakPolarHBondContact O-CB 3.31Å; A170-H215 PolarHBondContact O-ND1 3.37Å; A170-D216 PolarHBondContact O-N 2.99Å; A170-T336 WeakPolarHBondContact CA-O 3.49Å; A170-T336 WeakPolarHBondContact CB-O 3.34Å; A170-P1194 HydrophobicContact CB-CG 3.69Å | ||
| 171 | V | 88.7 | Confident | 92.4 | Very high | 24 Ų | 24 | 15.7 Ų | 15.7 | 15% | 0.145 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.8 | 168.5 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | D216 R335 G337 K338 L339 | V171-D216 WeakPolarHBondContact CA-O 3.46Å; V171-R335 HydrophobicContact CG2-CB 4.41Å; V171-G337 PolarHBondContact N-O 2.78Å; V171-K338 WeakPolarHBondContact O-CA 3.44Å; V171-L339 PolarHBondContact O-N 2.7Å |
| 172 | I | 92.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.015 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.3 | -177 | -54 | -172.6 | 0 | 0 | 0 | 110 | I174 W208 H215 D216 T217 T218 L339 F341 | I172-I174 HydrophobicContact CG2-CD1 4.44Å; I172-I174 HydrophobicContact CG2-CG1 3.88Å; I172-W208 HydrophobicContact CD1-CH2 4.42Å; I172-W208 HydrophobicContact CD1-CZ2 3.87Å; I172-H215 HydrophobicContact CD1-CB 3.92Å; I172-H215 VanDerWaalsContact CD1-CG 3.48Å; I172-H215 WeakPolarHBondContact CD1-ND1 3.43Å; I172-H215 HydrophobicContact CG1-CB 4.1Å; I172-D216 PolarHBondContact N-O 2.88Å; I172-T217 WeakPolarHBondContact O-CA 3.43Å; I172-T218 PolarHBondContact O-N 3.27Å; I172-L339 HydrophobicContact CD1-CD2 4.4Å; I172-L339 HydrophobicContact CG1-CB 4.18Å; I172-L339 HydrophobicContact CG2-CB 4.39Å; I172-F341 HydrophobicContact CG2-CB 4.22Å |
| 173 | H | 93.6 | Very high | 92.6 | Very high | 12 Ų | 12 | 16.2 Ų | 16.2 | 6% | 0.056 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 114 | 173 | -73.4 | -113.9 | 0 | 0 | 0 | 109.8 | F175 Y324 L339 L340 F341 | H173-F175 HydrophobicContact CB-CD2 4.39Å; H173-F175 HydrophobicContact CB-CE2 3.78Å; H173-Y324 AromaticContact CD2-CE1 3.6Å; H173-Y324 AromaticContact CD2-CZ 3.76Å; H173-Y324 PolarHBondContact CD2-OH 3.27Å; H173-Y324 AromaticContact NE2-CE1 3.84Å; H173-L339 PolarHBondContact N-O 3.28Å; H173-L339 VanDerWaalsContact N-O 3.14Å; H173-L340 HydrophobicContact CB-CD1 4.29Å; H173-F341 WeakPolarHBondContact O-CB 3.36Å; H173-F341 PolarHBondContact O-N 3.11Å |
| 174 | I | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 109.4 | -176.9 | -62.7 | -176 | 0 | 0 | 0 | 108.8 | I172 I176 F204 T217 T218 V219 V220 F341 | I172-I174 HydrophobicContact CG2-CD1 4.44Å; I172-I174 HydrophobicContact CG2-CG1 3.88Å; I174-I176 HydrophobicContact CG2-CD1 4.18Å; I174-I176 HydrophobicContact CG2-CG1 4.13Å; I174-F204 HydrophobicContact CD1-CE1 3.92Å; I174-F204 HydrophobicContact CD1-CZ 3.69Å; I174-T217 HydrophobicContact CD1-CG2 3.67Å; I174-T217 HydrophobicContact CG1-CG2 4.16Å; I174-T218 PolarHBondContact N-O 2.66Å; I174-V219 HydrophobicContact CB-CG2 4.21Å; I174-V219 HydrophobicContact CG2-CG1 4.23Å; I174-V219 HydrophobicContact CG2-CG2 4.46Å; I174-V219 WeakPolarHBondContact O-CA 3.45Å; I174-V220 PolarHBondContact O-N 3.03Å; I174-F341 WeakPolarHBondContact CA-O 3.3Å; I174-F341 HydrophobicContact CB-CD1 3.93Å; I174-F341 HydrophobicContact CB-CE1 4.47Å; I174-F341 HydrophobicContact CD1-CD1 4.34Å; I174-F341 HydrophobicContact CD1-CE1 4.44Å; I174-F341 HydrophobicContact CG1-CB 4.36Å; I174-F341 HydrophobicContact CG1-CD1 3.65Å; I174-F341 HydrophobicContact CG1-CE1 4.21Å; I174-F341 HydrophobicContact CG1-CG 4.19Å; I174-F341 HydrophobicContact CG2-CD1 3.74Å; I174-F341 HydrophobicContact CG2-CE1 3.86Å |
| 175 | F | 97.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.8 | 173.8 | -68.1 | -88.4 | 0 | 0 | 0 | 109.9 | H173 V220 F222 V316 A320 L340 F341 V342 I343 L2345 | H173-F175 HydrophobicContact CB-CD2 4.39Å; H173-F175 HydrophobicContact CB-CE2 3.78Å; F175-V220 WeakPolarHBondContact CA-O 3.46Å; F175-V220 HydrophobicContact CD1-CB 3.72Å; F175-V220 HydrophobicContact CD1-CG1 4.16Å; F175-V220 HydrophobicContact CD1-CG2 4.19Å; F175-V220 HydrophobicContact CE1-CB 3.86Å; F175-V220 HydrophobicContact CE1-CG1 4.11Å; F175-V220 HydrophobicContact CE1-CG2 3.89Å; F175-V220 HydrophobicContact CZ-CG2 4.44Å; F175-F222 HydrophobicContact CB-CD1 3.83Å; F175-F222 HydrophobicContact CB-CE1 3.73Å; F175-F222 HydrophobicContact CD1-CD1 4.33Å; F175-V316 HydrophobicContact CB-CG1 3.92Å; F175-V316 HydrophobicContact CD1-CG1 3.47Å; F175-V316 VanDerWaalsContact CD1-CG1 3.47Å; F175-V316 HydrophobicContact CD2-CG1 3.9Å; F175-V316 HydrophobicContact CE1-CG1 3.85Å; F175-V316 HydrophobicContact CE2-CG1 4.24Å; F175-V316 HydrophobicContact CG-CG1 3.48Å; F175-V316 VanDerWaalsContact CG-CG1 3.48Å; F175-V316 HydrophobicContact CZ-CG1 4.22Å; F175-A320 HydrophobicContact CE2-CB 3.83Å; F175-A320 HydrophobicContact CZ-CB 4.11Å; F175-L340 HydrophobicContact CD2-CD1 3.62Å; F175-L340 HydrophobicContact CE2-CD1 3.51Å; F175-F341 PolarHBondContact N-O 3.43Å; F175-V342 HydrophobicContact CB-CG2 4.43Å; F175-V342 CarbonylContact O-C 3.59Å; F175-V342 WeakPolarHBondContact O-CA 3.34Å; F175-I343 PolarHBondContact O-N 2.94Å; F175-L2345 HydrophobicContact CE1-CD1 4.19Å; F175-L2345 HydrophobicContact CZ-CD1 3.99Å |
| 176 | I | 96.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 4% | 0.036 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.8 | 179.5 | -64.1 | 161.2 | 0 | 0 | 0 | 108.1 | I174 M178 M182 L200 V219 V220 F221 F222 M272 I343 | I174-I176 HydrophobicContact CG2-CD1 4.18Å; I174-I176 HydrophobicContact CG2-CG1 4.13Å; I176-M178 HydrophobicContact CG2-SD 4.11Å; I176-M178 PolarHBondContact O-N 3Å; I176-M182 HydrophobicContact CG2-CE 4.35Å; I176-L200 HydrophobicContact CD1-CD1 3.98Å; I176-V219 HydrophobicContact CD1-CG1 3.99Å; I176-V220 PolarHBondContact N-O 2.76Å; I176-F221 HydrophobicContact CB-CD1 3.91Å; I176-F221 HydrophobicContact CB-CE1 4.22Å; I176-F221 HydrophobicContact CD1-CD1 4.24Å; I176-F221 HydrophobicContact CD1-CE1 3.84Å; I176-F221 HydrophobicContact CG2-CD1 4.24Å; I176-F221 HydrophobicContact CG2-CE1 4.3Å; I176-F221 WeakPolarHBondContact O-CA 3.33Å; I176-F222 WeakPolarHBondContact O-CD1 3.35Å; I176-F222 PolarHBondContact O-N 3.41Å; I176-F222 VanDerWaalsContact O-N 3.09Å; I176-M272 HydrophobicContact CD1-CE 3.81Å; I176-I343 HydrophobicContact CG1-CB 4.28Å; I176-I343 HydrophobicContact CG1-CD1 4.29Å |
| 177 | Q | 96.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 112.1 | -175.5 | -173.4 | 176.7 | -7.1 | 0 | 0 | 111.1 | S179 M182 F222 A308 A311 I343 T344 | Q177-S179 PolarHBondContact O-N 2.9Å; Q177-M182 WeakPolarHBondContact O-CE 3.23Å; Q177-F222 HydrophobicContact CB-CE1 3.74Å; Q177-F222 HydrophobicContact CB-CE2 4.03Å; Q177-F222 HydrophobicContact CB-CZ 3.44Å; Q177-F222 VanDerWaalsContact CB-CZ 3.44Å; Q177-F222 HydrophobicContact CG-CE1 4.42Å; Q177-F222 HydrophobicContact CG-CE2 3.8Å; Q177-F222 HydrophobicContact CG-CZ 3.7Å; Q177-A308 VanDerWaalsContact NE2-CA 3.27Å; Q177-A308 PolarHBondContact NE2-O 3.43Å; Q177-A311 HydrophobicContact CG-CB 4.38Å; Q177-I343 WeakPolarHBondContact CB-O 3.35Å; Q177-I343 PolarHBondContact N-O 3.13Å; Q177-T344 PolarHBondContact OE1-OG1 2.94Å |
| 178 | M | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -93.5 | 70.7 | 177.8 | -60.2 | -56.5 | -63.8 | 0 | 0 | 110.4 | I176 M182 W183 F221 F222 T223 V276 F279 I305 | I176-M178 HydrophobicContact CG2-SD 4.11Å; I176-M178 PolarHBondContact O-N 3Å; M178-M182 HydrophobicContact CE-CG 4.13Å; M178-M182 HydrophobicContact SD-CG 4.33Å; M178-W183 HydrophobicContact CE-CH2 3.7Å; M178-W183 HydrophobicContact CE-CZ2 3.93Å; M178-W183 HydrophobicContact CE-CZ3 4.42Å; M178-F221 HydrophobicContact CG-CB 3.89Å; M178-F221 HydrophobicContact CG-CD2 4.26Å; M178-F221 HydrophobicContact CG-CG 4.05Å; M178-F221 HydrophobicContact SD-CD2 4.41Å; M178-F221 HydrophobicContact SD-CG 4.38Å; M178-F222 PolarHBondContact N-O 2.97Å; M178-T223 VanDerWaalsContact O-CB 3.29Å; M178-T223 WeakPolarHBondContact O-CB 3.3Å; M178-T223 PolarHBondContact O-OG1 3.42Å; M178-V276 HydrophobicContact CE-CG1 3.83Å; M178-V276 HydrophobicContact CE-CG2 4.35Å; M178-F279 HydrophobicContact CB-CD1 4.25Å; M178-F279 HydrophobicContact CB-CE1 3.56Å; M178-F279 HydrophobicContact CB-CZ 4.05Å; M178-F279 HydrophobicContact CG-CD1 4.33Å; M178-F279 HydrophobicContact CG-CE1 3.89Å; M178-F279 HydrophobicContact CG-CZ 4.1Å; M178-I305 VanDerWaalsContact O-CG2 3.31Å; M178-I305 WeakPolarHBondContact O-CG2 3.22Å | ||
| 179 | S | 95 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -96.5 | 168.7 | 174.9 | 72.2 | 0 | 0 | 0 | 0 | 112.2 | Q177 E181 M182 W183 C306 P345 | Q177-S179 PolarHBondContact O-N 2.9Å; S179-E181 VanDerWaalsContact CB-OE2 3.26Å; S179-E181 WeakPolarHBondContact CB-OE2 3.32Å; S179-E181 PolarHBondContact O-N 3.27Å; S179-E181 VanDerWaalsContact O-N 3.09Å; S179-E181 PolarHBondContact OG-OE2 3.11Å; S179-M182 VanDerWaalsContact O-CB 3.26Å; S179-M182 WeakPolarHBondContact O-CB 3.2Å; S179-M182 PolarHBondContact O-N 3.01Å; S179-W183 WeakPolarHBondContact O-CZ3 3.42Å; S179-C306 WeakPolarHBondContact CA-O 3.31Å; S179-C306 VanDerWaalsContact CB-O 3.3Å; S179-C306 WeakPolarHBondContact CB-O 3.44Å; S179-P345 WeakPolarHBondContact OG-CG 3.46Å | ||
| 180 | Q | 93.1 | Very high | 90.6 | Very high | 91 Ų | 91 | 34.7 Ų | 34.7 | 43% | 0.425 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -51.1 | -36.6 | -177.3 | -167.7 | -176.2 | 23.9 | 0 | 0 | 113.4 | M182 W183 W184 C306 | Q180-M182 PolarHBondContact O-N 3.36Å; Q180-W183 PolarHBondContact O-N 3.32Å; Q180-W184 HydrophobicContact CG-CZ2 4.16Å; Q180-C306 PolarHBondContact N-O 2.9Å |
| 181 | E | 93.8 | Very high | 90.7 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -68.4 | -17.7 | -179.4 | -55.8 | 87.9 | 161.4 | 0 | 0 | 113.6 | S179 W183 W184 Y192 T307 A308 P345 | S179-E181 VanDerWaalsContact CB-OE2 3.26Å; S179-E181 WeakPolarHBondContact CB-OE2 3.32Å; S179-E181 PolarHBondContact O-N 3.27Å; S179-E181 VanDerWaalsContact O-N 3.09Å; S179-E181 PolarHBondContact OG-OE2 3.11Å; E181-W183 PolarHBondContact O-N 2.95Å; E181-W184 HydrophobicContact CB-CD2 4.27Å; E181-W184 HydrophobicContact CB-CE3 4.11Å; E181-W184 HydrophobicContact CG-CD2 4.12Å; E181-W184 HydrophobicContact CG-CE3 3.67Å; E181-W184 HydrophobicContact CG-CH2 4.07Å; E181-W184 HydrophobicContact CG-CZ2 4.48Å; E181-W184 HydrophobicContact CG-CZ3 3.65Å; E181-W184 WeakPolarHBondContact O-CB 3.3Å; E181-W184 PolarHBondContact O-N 3.13Å; E181-Y192 VanDerWaalsContact O-CD2 3.23Å; E181-Y192 WeakPolarHBondContact O-CD2 3.35Å; E181-T307 WeakPolarHBondContact OE1-CA 3.4Å; E181-T307 WeakPolarHBondContact OE1-CB 3.41Å; E181-A308 PolarHBondContact OE1-N 3.42Å; E181-A308 WeakPolarHBondContact OE2-CB 3.37Å; E181-A308 PolarHBondContact OE2-N 2.91Å; E181-P345 HydrophobicContact CB-CB 4.07Å; E181-P345 HydrophobicContact CB-CG 4.19Å |
| 182 | M | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -60.9 | -28.6 | 177.5 | -169.4 | 60 | 73.7 | 0 | 0 | 112.2 | I176 Q177 M178 S179 Q180 L193 P345 | I176-M182 HydrophobicContact CG2-CE 4.35Å; Q177-M182 WeakPolarHBondContact O-CE 3.23Å; M178-M182 HydrophobicContact CE-CG 4.13Å; M178-M182 HydrophobicContact SD-CG 4.33Å; S179-M182 VanDerWaalsContact O-CB 3.26Å; S179-M182 WeakPolarHBondContact O-CB 3.2Å; S179-M182 PolarHBondContact O-N 3.01Å; Q180-M182 PolarHBondContact O-N 3.36Å; M182-L193 HydrophobicContact CG-CB 4.05Å; M182-L193 HydrophobicContact CG-CD1 3.87Å; M182-L193 WeakPolarHBondContact O-CB 2.98Å; M182-L193 PolarHBondContact O-N 2.78Å; M182-L193 VanDerWaalsContact SD-CA 3.52Å; M182-L193 HydrophobicContact SD-CB 4.08Å; M182-L193 HydrophobicContact SD-CD1 4.04Å; M182-P345 HydrophobicContact CB-CG 4.43Å; M182-P345 HydrophobicContact CE-CB 4.16Å; M182-P345 HydrophobicContact CE-CG 3.99Å |
| 183 | W | 91.1 | Very high | 91 | Very high | 92 Ų | 92 | 38.5 Ų | 38.5 | 35% | 0.348 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -94.1 | 5.4 | 175 | -65.9 | -94 | 0 | 0 | 0 | 113.8 | M178 S179 Q180 E181 I305 | M178-W183 HydrophobicContact CE-CH2 3.7Å; M178-W183 HydrophobicContact CE-CZ2 3.93Å; M178-W183 HydrophobicContact CE-CZ3 4.42Å; S179-W183 WeakPolarHBondContact O-CZ3 3.42Å; Q180-W183 PolarHBondContact O-N 3.32Å; E181-W183 PolarHBondContact O-N 2.95Å; W183-I305 HydrophobicContact CH2-CD1 3.98Å; W183-I305 HydrophobicContact CZ3-CD1 3.91Å |
| 184 | W | 90.5 | Very high | 90.9 | Very high | 128 Ų | 128 | 41.5 Ų | 41.5 | 49% | 0.485 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -88.2 | 155 | 173.9 | -65.2 | 1.7 | 0 | 0 | 0 | 111.2 | Q180 E181 Y192 | Q180-W184 HydrophobicContact CG-CZ2 4.16Å; E181-W184 HydrophobicContact CB-CD2 4.27Å; E181-W184 HydrophobicContact CB-CE3 4.11Å; E181-W184 HydrophobicContact CG-CD2 4.12Å; E181-W184 HydrophobicContact CG-CE3 3.67Å; E181-W184 HydrophobicContact CG-CH2 4.07Å; E181-W184 HydrophobicContact CG-CZ2 4.48Å; E181-W184 HydrophobicContact CG-CZ3 3.65Å; E181-W184 WeakPolarHBondContact O-CB 3.3Å; E181-W184 PolarHBondContact O-N 3.13Å; W184-Y192 HydrophobicContact CB-CD2 4.25Å; W184-Y192 HydrophobicContact CB-CE2 4.47Å; W184-Y192 VanDerWaalsContact O-CD2 3.29Å; W184-Y192 WeakPolarHBondContact O-CD2 3.4Å; W184-Y192 PolarHBondContact O-N 3.01Å; W184-Y192 VanDerWaalsContact O-N 3.09Å |
| 185 | F | 88.8 | Confident | 90.7 | Very high | 138 Ų | 138 | 41.5 Ų | 41.5 | 61% | 0.605 | 20% | 0.202 | S | C | * | . | B | Isolated β-bridge | trans | -83.3 | 140.8 | 170.7 | -64.7 | -83.1 | 0 | 0 | 0 | 110.5 | G189 D190 L191 | F185-G189 WeakPolarHBondContact CD1-O 3.47Å; F185-D190 WeakPolarHBondContact CA-O 3.22Å; F185-L191 HydrophobicContact CD1-CD2 3.68Å; F185-L191 HydrophobicContact CD1-CG 3.91Å; F185-L191 HydrophobicContact CD2-CD2 4.13Å; F185-L191 HydrophobicContact CE1-CD1 4.45Å; F185-L191 HydrophobicContact CE1-CD2 3.57Å; F185-L191 HydrophobicContact CE1-CG 3.64Å; F185-L191 HydrophobicContact CE2-CD2 4.01Å; F185-L191 HydrophobicContact CG-CD2 3.98Å; F185-L191 HydrophobicContact CZ-CD2 3.74Å; F185-L191 HydrophobicContact CZ-CG 4.17Å |
| 186 | D | 85.2 | Confident | 90.6 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | trans | -77.4 | 177.9 | 168.1 | 84 | 0.5 | 0 | 0 | 0 | 111.8 | N188 G189 D190 Y192 K195 | D186-N188 PolarHBondContact O-N 3.09Å; D186-N188 VanDerWaalsContact O-N 3.1Å; D186-N188 WeakPolarHBondContact OD1-CA 3.47Å; D186-N188 VanDerWaalsContact OD1-CB 3.25Å; D186-N188 WeakPolarHBondContact OD1-CB 3.17Å; D186-N188 PolarHBondContact OD1-N 3.44Å; D186-N188 PolarHBondContact OD1-ND2 2.94Å; D186-N188 VanDerWaalsContact OD1-ND2 3.11Å; D186-N188 PolarHBondContact OD2-ND2 3.2Å; D186-G189 PolarHBondContact O-N 2.82Å; D186-G189 PolarHBondContact OD1-N 3.36Å; D186-G189 VanDerWaalsContact OD1-N 3.15Å; D186-D190 PolarHBondContact N-O 2.97Å; D186-D190 PolarHBondContact OD1-N 3.16Å; D186-D190 VanDerWaalsContact OD1-N 3.11Å; D186-Y192 HydrophobicContact CB-CD1 4.38Å; D186-Y192 HydrophobicContact CB-CE1 3.7Å; D186-Y192 HydrophobicContact CB-CE2 4.19Å; D186-K195 WeakPolarHBondContact OD2-CD 3.44Å; D186-K195 WeakPolarHBondContact OD2-CE 3.33Å; D186-K195 IonicContact OD2-NZ 3.82Å; D186-K195 PolarHBondContact OD2-NZ 3.39Å | ||
| 187 | N | 79.5 | Confident | 90.4 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 46% | 0.455 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -10.8 | -178.5 | -78.1 | -32.9 | 0 | 0 | 0 | 114.4 | E378 | N187-E378 PolarHBondContact ND2-OE1 3.32Š|
| 188 | N | 78.3 | Confident | 90.2 | Very high | 37 Ų | 37 | 45.9 Ų | 45.9 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -14.1 | 175.1 | -41.8 | -81.7 | 0 | 0 | 0 | 112.4 | D186 E416 F426 | D186-N188 PolarHBondContact O-N 3.09Å; D186-N188 VanDerWaalsContact O-N 3.1Å; D186-N188 WeakPolarHBondContact OD1-CA 3.47Å; D186-N188 VanDerWaalsContact OD1-CB 3.25Å; D186-N188 WeakPolarHBondContact OD1-CB 3.17Å; D186-N188 PolarHBondContact OD1-N 3.44Å; D186-N188 PolarHBondContact OD1-ND2 2.94Å; D186-N188 VanDerWaalsContact OD1-ND2 3.11Å; D186-N188 PolarHBondContact OD2-ND2 3.2Å; N188-E416 WeakPolarHBondContact ND2-CG 3.47Å; N188-E416 PolarHBondContact ND2-OE1 3.09Å; N188-E416 WeakPolarHBondContact OD1-CG 3.5Å; N188-F426 WeakPolarHBondContact OD1-CZ 3.34Å |
| 189 | G | 83.3 | Confident | 90.1 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 49% | 0.485 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 87.5 | 11.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F185 D186 | F185-G189 WeakPolarHBondContact CD1-O 3.47Å; D186-G189 PolarHBondContact O-N 2.82Å; D186-G189 PolarHBondContact OD1-N 3.36Å; D186-G189 VanDerWaalsContact OD1-N 3.15Å |
| 190 | D | 85.4 | Confident | 90.1 | Very high | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | trans | -79.3 | 136 | 165.9 | -100 | 2.7 | 0 | 0 | 0 | 108.6 | F185 D186 K198 | F185-D190 WeakPolarHBondContact CA-O 3.22Å; D186-D190 PolarHBondContact N-O 2.97Å; D186-D190 PolarHBondContact OD1-N 3.16Å; D186-D190 VanDerWaalsContact OD1-N 3.11Å; D190-K198 IonicContact OD1-NZ 3.5Å; D190-K198 PolarHBondContact OD1-NZ 3.07Å; D190-K198 IonicContact OD2-NZ 3.09Å; D190-K198 PolarHBondContact OD2-NZ 2.91Å | ||
| 191 | L | 91.8 | Very high | 90.1 | Very high | 46 Ų | 46 | 43.6 Ų | 43.6 | 24% | 0.241 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -67.2 | 140.5 | 166.9 | -75.2 | 172 | 0 | 0 | 0 | 110.1 | F185 L193 E194 K195 | F185-L191 HydrophobicContact CD1-CD2 3.68Å; F185-L191 HydrophobicContact CD1-CG 3.91Å; F185-L191 HydrophobicContact CD2-CD2 4.13Å; F185-L191 HydrophobicContact CE1-CD1 4.45Å; F185-L191 HydrophobicContact CE1-CD2 3.57Å; F185-L191 HydrophobicContact CE1-CG 3.64Å; F185-L191 HydrophobicContact CE2-CD2 4.01Å; F185-L191 HydrophobicContact CG-CD2 3.98Å; F185-L191 HydrophobicContact CZ-CD2 3.74Å; F185-L191 HydrophobicContact CZ-CG 4.17Å; L191-L193 PolarHBondContact O-N 2.75Å; L191-E194 HydrophobicContact CB-CB 4.43Å; L191-E194 HydrophobicContact CB-CG 4.27Å; L191-E194 WeakPolarHBondContact O-CB 3.27Å; L191-E194 PolarHBondContact O-N 3.45Å; L191-K195 PolarHBondContact O-N 3.27Å |
| 192 | Y | 93.6 | Very high | 90.1 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.6 | -35.4 | 176.4 | -76.9 | -64 | 0 | 0 | 0 | 112.6 | E181 W184 D186 E194 K195 A196 P345 L376 A377 | E181-Y192 VanDerWaalsContact O-CD2 3.23Å; E181-Y192 WeakPolarHBondContact O-CD2 3.35Å; W184-Y192 HydrophobicContact CB-CD2 4.25Å; W184-Y192 HydrophobicContact CB-CE2 4.47Å; W184-Y192 VanDerWaalsContact O-CD2 3.29Å; W184-Y192 WeakPolarHBondContact O-CD2 3.4Å; W184-Y192 PolarHBondContact O-N 3.01Å; W184-Y192 VanDerWaalsContact O-N 3.09Å; D186-Y192 HydrophobicContact CB-CD1 4.38Å; D186-Y192 HydrophobicContact CB-CE1 3.7Å; D186-Y192 HydrophobicContact CB-CE2 4.19Å; Y192-E194 PolarHBondContact O-N 3.2Å; Y192-K195 HydrophobicContact CD1-CD 4.29Å; Y192-K195 HydrophobicContact CE1-CD 4.48Å; Y192-K195 CarbonylContact O-C 2.81Å; Y192-K195 WeakPolarHBondContact O-CB 3.45Å; Y192-K195 PolarHBondContact O-N 3.15Å; Y192-K195 VanDerWaalsContact O-N 3.15Å; Y192-A196 PolarHBondContact O-N 2.94Å; Y192-P345 HydrophobicContact CG-CB 4.36Å; Y192-L376 HydrophobicContact CD1-CB 3.79Å; Y192-L376 HydrophobicContact CE1-CB 4.35Å; Y192-L376 WeakPolarHBondContact CE1-O 3.44Å; Y192-A377 HydrophobicContact CE1-CB 4.29Å |
| 193 | L | 93.1 | Very high | 90.1 | Very high | 34 Ų | 34 | 46 Ų | 46 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.3 | -46.6 | 171 | -174 | 66.1 | 0 | 0 | 0 | 113.2 | M182 L191 K195 A196 F197 V276 | M182-L193 HydrophobicContact CG-CB 4.05Å; M182-L193 HydrophobicContact CG-CD1 3.87Å; M182-L193 WeakPolarHBondContact O-CB 2.98Å; M182-L193 PolarHBondContact O-N 2.78Å; M182-L193 VanDerWaalsContact SD-CA 3.52Å; M182-L193 HydrophobicContact SD-CB 4.08Å; M182-L193 HydrophobicContact SD-CD1 4.04Å; L191-L193 PolarHBondContact O-N 2.75Å; L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 3.49Å; L193-A196 WeakPolarHBondContact O-CB 3.39Å; L193-A196 PolarHBondContact O-N 3.29Å; L193-F197 HydrophobicContact CD1-CD2 4.28Å; L193-F197 HydrophobicContact CD1-CE2 3.88Å; L193-F197 HydrophobicContact CG-CD2 4.28Å; L193-F197 HydrophobicContact CG-CE2 4.2Å; L193-F197 WeakPolarHBondContact O-CD2 3.49Å; L193-F197 PolarHBondContact O-N 2.98Å; L193-F197 VanDerWaalsContact O-N 3.13Å; L193-V276 HydrophobicContact CD1-CG1 3.92Å; L193-V276 HydrophobicContact CD1-CG2 4.14Å; L193-V276 HydrophobicContact CD2-CG1 3.69Å; L193-V276 HydrophobicContact CG-CG1 4.47Å |
| 194 | E | 91.2 | Very high | 90.2 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 175 | -72.7 | -172.9 | -150.6 | 0 | 0 | 111.3 | L191 Y192 A196 F197 K198 | L191-E194 HydrophobicContact CB-CB 4.43Å; L191-E194 HydrophobicContact CB-CG 4.27Å; L191-E194 WeakPolarHBondContact O-CB 3.27Å; L191-E194 PolarHBondContact O-N 3.45Å; Y192-E194 PolarHBondContact O-N 3.2Å; E194-A196 VanDerWaalsContact C-N 3.26Å; E194-A196 PolarHBondContact O-N 3.13Å; E194-F197 PolarHBondContact O-N 3.27Å; E194-K198 HydrophobicContact CB-CD 4.39Å; E194-K198 VanDerWaalsContact O-CB 3.3Å; E194-K198 WeakPolarHBondContact O-CB 3.22Å; E194-K198 WeakPolarHBondContact O-CD 3.11Å; E194-K198 WeakPolarHBondContact O-CG 3.17Å; E194-K198 PolarHBondContact O-N 3.16Å; E194-K198 WeakPolarHBondContact OE2-CE 3.4Å; E194-K198 IonicContact OE2-NZ 2.74Å; E194-K198 PolarHBondContact OE2-NZ 3Å |
| 195 | K | 91.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -36.8 | 177.2 | -155.6 | 169.9 | -174.5 | 173.8 | 0 | 111.1 | D186 L191 Y192 L193 F199 L376 F411 E416 | D186-K195 WeakPolarHBondContact OD2-CD 3.44Å; D186-K195 WeakPolarHBondContact OD2-CE 3.33Å; D186-K195 IonicContact OD2-NZ 3.82Å; D186-K195 PolarHBondContact OD2-NZ 3.39Å; L191-K195 PolarHBondContact O-N 3.27Å; Y192-K195 HydrophobicContact CD1-CD 4.29Å; Y192-K195 HydrophobicContact CE1-CD 4.48Å; Y192-K195 CarbonylContact O-C 2.81Å; Y192-K195 WeakPolarHBondContact O-CB 3.45Å; Y192-K195 PolarHBondContact O-N 3.15Å; Y192-K195 VanDerWaalsContact O-N 3.15Å; L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 3.49Å; K195-F199 PolarHBondContact O-N 3.38Å; K195-L376 HydrophobicContact CD-CB 4.47Å; K195-L376 WeakPolarHBondContact CE-O 3.45Å; K195-L376 PolarHBondContact NZ-O 3.15Å; K195-L376 VanDerWaalsContact NZ-O 3.12Å; K195-F411 HydrophobicContact CG-CD1 3.97Å; K195-F411 HydrophobicContact CG-CE1 4.04Å; K195-F411 WeakPolarHBondContact O-CE1 3.38Å; K195-E416 IonicContact NZ-OE1 2.77Å; K195-E416 PolarHBondContact NZ-OE1 3.12Å; K195-E416 IonicContact NZ-OE2 3.32Å; K195-E416 PolarHBondContact NZ-OE2 3.33Å |
| 196 | A | 94 | Very high | 90.5 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -48.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y192 L193 E194 F199 L200 I343 L376 | Y192-A196 PolarHBondContact O-N 2.94Å; L193-A196 WeakPolarHBondContact O-CB 3.39Å; L193-A196 PolarHBondContact O-N 3.29Å; E194-A196 VanDerWaalsContact C-N 3.26Å; E194-A196 PolarHBondContact O-N 3.13Å; A196-F199 WeakPolarHBondContact O-CB 3.3Å; A196-F199 PolarHBondContact O-N 2.92Å; A196-F199 VanDerWaalsContact O-N 3.17Å; A196-L200 WeakPolarHBondContact O-CG 3.49Å; A196-L200 PolarHBondContact O-N 2.91Å; A196-I343 HydrophobicContact CB-CG2 4.43Å; A196-L376 HydrophobicContact CB-CD1 3.71Å |
| 197 | F | 93.6 | Very high | 90.8 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 10% | 0.101 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.1 | -33.2 | 177.5 | -78.5 | -71.8 | 0 | 0 | 0 | 113.1 | L193 E194 F199 L200 S201 L269 M272 Q273 V276 | L193-F197 HydrophobicContact CD1-CD2 4.28Å; L193-F197 HydrophobicContact CD1-CE2 3.88Å; L193-F197 HydrophobicContact CG-CD2 4.28Å; L193-F197 HydrophobicContact CG-CE2 4.2Å; L193-F197 WeakPolarHBondContact O-CD2 3.49Å; L193-F197 PolarHBondContact O-N 2.98Å; L193-F197 VanDerWaalsContact O-N 3.13Å; E194-F197 PolarHBondContact O-N 3.27Å; F197-F199 VanDerWaalsContact C-N 3.27Å; F197-F199 PolarHBondContact O-N 3.34Å; F197-L200 HydrophobicContact CD1-CD1 4.37Å; F197-L200 PolarHBondContact O-N 2.83Å; F197-S201 WeakPolarHBondContact O-CB 3.41Å; F197-S201 PolarHBondContact O-N 3.15Å; F197-S201 PolarHBondContact O-OG 2.88Å; F197-L269 HydrophobicContact CD1-CD2 4.08Å; F197-L269 HydrophobicContact CE1-CD2 4.38Å; F197-M272 HydrophobicContact CE1-CB 3.78Å; F197-M272 HydrophobicContact CE1-CE 4.26Å; F197-M272 HydrophobicContact CZ-CB 3.99Å; F197-Q273 HydrophobicContact CD1-CG 4.03Å; F197-Q273 HydrophobicContact CD2-CG 4.11Å; F197-Q273 HydrophobicContact CE1-CG 3.74Å; F197-Q273 HydrophobicContact CE2-CG 3.81Å; F197-Q273 HydrophobicContact CG-CG 4.22Å; F197-Q273 HydrophobicContact CZ-CB 4.41Å; F197-Q273 HydrophobicContact CZ-CG 3.62Å; F197-V276 HydrophobicContact CE2-CG2 4.22Å; F197-V276 HydrophobicContact CZ-CG2 4.23Å |
| 198 | K | 91.7 | Very high | 91.4 | Very high | 73 Ų | 73 | 34 Ų | 34 | 32% | 0.317 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.9 | -32.6 | 170 | -72.3 | 161.3 | -174.2 | 159.6 | 0 | 111.5 | D190 E194 S201 F411 | D190-K198 IonicContact OD1-NZ 3.5Å; D190-K198 PolarHBondContact OD1-NZ 3.07Å; D190-K198 IonicContact OD2-NZ 3.09Å; D190-K198 PolarHBondContact OD2-NZ 2.91Å; E194-K198 HydrophobicContact CB-CD 4.39Å; E194-K198 VanDerWaalsContact O-CB 3.3Å; E194-K198 WeakPolarHBondContact O-CB 3.22Å; E194-K198 WeakPolarHBondContact O-CD 3.11Å; E194-K198 WeakPolarHBondContact O-CG 3.17Å; E194-K198 PolarHBondContact O-N 3.16Å; E194-K198 WeakPolarHBondContact OE2-CE 3.4Å; E194-K198 IonicContact OE2-NZ 2.74Å; E194-K198 PolarHBondContact OE2-NZ 3Å; K198-S201 PolarHBondContact O-OG 2.78Å; K198-F411 HydrophobicContact CB-CE1 4.49Å |
| 199 | F | 94 | Very high | 92 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.6 | -54.6 | 169.2 | 168.1 | -82.6 | 0 | 0 | 0 | 112 | K195 A196 F197 S201 K202 L203 F341 I343 I374 F411 V1186 W1188 L1191 | K195-F199 PolarHBondContact O-N 3.38Å; A196-F199 WeakPolarHBondContact O-CB 3.3Å; A196-F199 PolarHBondContact O-N 2.92Å; A196-F199 VanDerWaalsContact O-N 3.17Å; F197-F199 VanDerWaalsContact C-N 3.27Å; F197-F199 PolarHBondContact O-N 3.34Å; F199-S201 PolarHBondContact O-N 2.98Å; F199-K202 WeakPolarHBondContact O-CB 3.27Å; F199-K202 PolarHBondContact O-N 3.35Å; F199-L203 HydrophobicContact CE1-CB 4.27Å; F199-L203 HydrophobicContact CE1-CD2 3.98Å; F199-L203 HydrophobicContact CZ-CB 4.39Å; F199-L203 HydrophobicContact CZ-CD2 4.11Å; F199-L203 PolarHBondContact O-N 3.03Å; F199-F341 HydrophobicContact CE1-CE1 4.37Å; F199-F341 HydrophobicContact CE1-CE2 4.36Å; F199-F341 AromaticContact CE1-CZ 3.51Å; F199-F341 HydrophobicContact CE1-CZ 3.51Å; F199-F341 HydrophobicContact CZ-CE2 4.06Å; F199-F341 AromaticContact CZ-CZ 3.63Å; F199-F341 HydrophobicContact CZ-CZ 3.63Å; F199-I343 HydrophobicContact CD1-CD1 3.78Å; F199-I343 HydrophobicContact CE1-CD1 4Å; F199-I374 HydrophobicContact CE2-CD1 4.23Å; F199-I374 HydrophobicContact CE2-CG2 4.48Å; F199-I374 HydrophobicContact CZ-CD1 4Å; F199-F411 HydrophobicContact CB-CD1 3.84Å; F199-F411 HydrophobicContact CB-CD2 4.2Å; F199-F411 HydrophobicContact CB-CE1 3.79Å; F199-F411 HydrophobicContact CB-CE2 4.14Å; F199-F411 HydrophobicContact CB-CG 4.03Å; F199-F411 HydrophobicContact CB-CZ 3.94Å; F199-F411 HydrophobicContact CD2-CB 4.25Å; F199-F411 AromaticContact CD2-CD2 3.64Å; F199-F411 HydrophobicContact CD2-CD2 3.64Å; F199-F411 HydrophobicContact CD2-CE2 4.09Å; F199-F411 AromaticContact CD2-CG 3.89Å; F199-F411 HydrophobicContact CD2-CG 3.89Å; F199-F411 HydrophobicContact CG-CD2 4.4Å; F199-F411 HydrophobicContact CG-CG 4.4Å; F199-V1186 HydrophobicContact CE2-CG1 4.17Å; F199-V1186 HydrophobicContact CE2-CG2 4.26Å; F199-W1188 AromaticContact CD2-CH2 3.68Å; F199-W1188 HydrophobicContact CD2-CH2 3.68Å; F199-W1188 HydrophobicContact CD2-CZ3 4.07Å; F199-W1188 AromaticContact CE2-CH2 3.56Å; F199-W1188 HydrophobicContact CE2-CH2 3.56Å; F199-W1188 AromaticContact CE2-CZ3 3.52Å; F199-W1188 HydrophobicContact CE2-CZ3 3.52Å; F199-W1188 HydrophobicContact CZ-CZ3 4.11Å; F199-L1191 HydrophobicContact CE2-CD1 4.16Å; F199-L1191 HydrophobicContact CZ-CD1 3.89Å |
| 200 | L | 94.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | -172.2 | -71.8 | 170.5 | 0 | 0 | 0 | 112.2 | I176 A196 F197 K202 L203 F204 L269 M272 I343 | I176-L200 HydrophobicContact CD1-CD1 3.98Å; A196-L200 WeakPolarHBondContact O-CG 3.49Å; A196-L200 PolarHBondContact O-N 2.91Å; F197-L200 HydrophobicContact CD1-CD1 4.37Å; F197-L200 PolarHBondContact O-N 2.83Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 PolarHBondContact O-N 3.07Å; L200-L203 PolarHBondContact O-N 3.43Å; L200-F204 HydrophobicContact CB-CD2 4.33Å; L200-F204 HydrophobicContact CB-CE2 4.05Å; L200-F204 HydrophobicContact CD2-CE2 3.85Å; L200-F204 HydrophobicContact CD2-CZ 3.88Å; L200-F204 HydrophobicContact CG-CE2 4.46Å; L200-F204 WeakPolarHBondContact O-CD2 3.2Å; L200-F204 WeakPolarHBondContact O-CG 3.34Å; L200-F204 PolarHBondContact O-N 3.02Å; L200-L269 HydrophobicContact CB-CD2 3.94Å; L200-M272 HydrophobicContact CD1-CE 3.91Å; L200-I343 HydrophobicContact CD2-CD1 3.77Å; L200-I343 HydrophobicContact CG-CD1 4.11Å |
| 201 | S | 93.7 | Very high | 92.3 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.3 | -37.2 | 174.4 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | F197 K198 F199 L205 | F197-S201 WeakPolarHBondContact O-CB 3.41Å; F197-S201 PolarHBondContact O-N 3.15Å; F197-S201 PolarHBondContact O-OG 2.88Å; K198-S201 PolarHBondContact O-OG 2.78Å; F199-S201 PolarHBondContact O-N 2.98Å; S201-L205 WeakPolarHBondContact O-CA 3.49Å; S201-L205 WeakPolarHBondContact O-CB 3.43Å; S201-L205 WeakPolarHBondContact O-CG 3.41Å; S201-L205 PolarHBondContact O-N 2.94Å |
| 202 | K | 93.1 | Very high | 92.1 | Very high | 75 Ų | 75 | 42.9 Ų | 42.9 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.7 | -36.7 | 175.5 | -163.5 | -174.6 | -178 | -171.7 | 0 | 112.2 | F199 L200 K206 F207 W1188 | F199-K202 WeakPolarHBondContact O-CB 3.27Å; F199-K202 PolarHBondContact O-N 3.35Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 PolarHBondContact O-N 3.07Å; K202-K206 WeakPolarHBondContact O-CB 3.45Å; K202-F207 HydrophobicContact CD-CE2 3.84Å; K202-F207 HydrophobicContact CG-CD2 4.06Å; K202-F207 HydrophobicContact CG-CE2 3.74Å; K202-F207 VanDerWaalsContact O-CD2 3.28Å; K202-F207 WeakPolarHBondContact O-CD2 3.48Å; K202-F207 PolarHBondContact O-N 3.17Å; K202-W1188 HydrophobicContact CD-CH2 3.93Å; K202-W1188 HydrophobicContact CD-CZ2 4.11Å |
| 203 | L | 93.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -65.9 | -59.5 | 175.2 | -175.5 | 64.7 | 0 | 0 | 0 | 111.1 | F199 L200 F207 W208 F341 L1191 | F199-L203 HydrophobicContact CE1-CB 4.27Å; F199-L203 HydrophobicContact CE1-CD2 3.98Å; F199-L203 HydrophobicContact CZ-CB 4.39Å; F199-L203 HydrophobicContact CZ-CD2 4.11Å; F199-L203 PolarHBondContact O-N 3.03Å; L200-L203 PolarHBondContact O-N 3.43Å; L203-F207 PolarHBondContact O-N 2.66Å; L203-W208 HydrophobicContact CD2-CZ2 4.33Å; L203-W208 HydrophobicContact CG-CZ2 4.47Å; L203-W208 PolarHBondContact O-N 3.29Å; L203-F341 HydrophobicContact CD2-CZ 4.47Å; L203-L1191 HydrophobicContact CD1-CB 3.98Å |
| 204 | F | 93.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -77.9 | -36 | -170.7 | -55 | -38.8 | 0 | 0 | 0 | 114.5 | I174 L200 W208 P209 W265 L269 | I174-F204 HydrophobicContact CD1-CE1 3.92Å; I174-F204 HydrophobicContact CD1-CZ 3.69Å; L200-F204 HydrophobicContact CB-CD2 4.33Å; L200-F204 HydrophobicContact CB-CE2 4.05Å; L200-F204 HydrophobicContact CD2-CE2 3.85Å; L200-F204 HydrophobicContact CD2-CZ 3.88Å; L200-F204 HydrophobicContact CG-CE2 4.46Å; L200-F204 WeakPolarHBondContact O-CD2 3.2Å; L200-F204 WeakPolarHBondContact O-CG 3.34Å; L200-F204 PolarHBondContact O-N 3.02Å; F204-W208 HydrophobicContact CD1-CD2 4.15Å; F204-W208 AromaticContact CD1-CE3 3.8Å; F204-W208 HydrophobicContact CD1-CE3 3.8Å; F204-W208 AromaticContact CD1-CH2 3.89Å; F204-W208 HydrophobicContact CD1-CH2 3.89Å; F204-W208 HydrophobicContact CD1-CZ2 4.21Å; F204-W208 AromaticContact CD1-CZ3 3.68Å; F204-W208 HydrophobicContact CD1-CZ3 3.68Å; F204-W208 HydrophobicContact CE1-CE3 4.39Å; F204-W208 AromaticContact CE1-CH2 3.63Å; F204-W208 HydrophobicContact CE1-CH2 3.63Å; F204-W208 HydrophobicContact CE1-CZ2 4.02Å; F204-W208 AromaticContact CE1-CZ3 3.84Å; F204-W208 HydrophobicContact CE1-CZ3 3.84Å; F204-P209 WeakPolarHBondContact O-CD 3.42Å; F204-P209 WeakPolarHBondContact O-CG 3.15Å; F204-W265 HydrophobicContact CB-CB 4.04Å; F204-W265 HydrophobicContact CB-CD2 3.91Å; F204-W265 HydrophobicContact CB-CE3 4.39Å; F204-W265 HydrophobicContact CB-CG 3.75Å; F204-W265 HydrophobicContact CD1-CD2 4.22Å; F204-W265 HydrophobicContact CD1-CE3 4.45Å; F204-W265 HydrophobicContact CD1-CH2 4.43Å; F204-W265 HydrophobicContact CD1-CZ2 4.19Å; F204-W265 AromaticContact CD2-CD2 3.88Å; F204-W265 HydrophobicContact CD2-CD2 3.88Å; F204-W265 AromaticContact CD2-CE3 3.49Å; F204-W265 HydrophobicContact CD2-CE3 3.49Å; F204-W265 VanDerWaalsContact CD2-CE3 3.49Å; F204-W265 HydrophobicContact CD2-CH2 4.47Å; F204-W265 AromaticContact CD2-CZ3 3.83Å; F204-W265 HydrophobicContact CD2-CZ3 3.83Å; F204-W265 HydrophobicContact CE1-CH2 4.05Å; F204-W265 HydrophobicContact CE1-CZ2 4.13Å; F204-W265 HydrophobicContact CE1-CZ3 4.32Å; F204-W265 HydrophobicContact CE2-CD2 4.42Å; F204-W265 AromaticContact CE2-CE3 3.73Å; F204-W265 HydrophobicContact CE2-CE3 3.73Å; F204-W265 HydrophobicContact CE2-CH2 4.09Å; F204-W265 AromaticContact CE2-CZ3 3.54Å; F204-W265 HydrophobicContact CE2-CZ3 3.54Å; F204-W265 AromaticContact CG-CD2 3.76Å; F204-W265 HydrophobicContact CG-CD2 3.76Å; F204-W265 AromaticContact CG-CE3 3.89Å; F204-W265 HydrophobicContact CG-CE3 3.89Å; F204-W265 HydrophobicContact CG-CG 4.17Å; F204-W265 HydrophobicContact CG-CZ3 4.33Å; F204-W265 HydrophobicContact CZ-CE3 4.32Å; F204-W265 AromaticContact CZ-CH2 3.87Å; F204-W265 HydrophobicContact CZ-CH2 3.87Å; F204-W265 HydrophobicContact CZ-CZ2 4.4Å; F204-W265 AromaticContact CZ-CZ3 3.82Å; F204-W265 HydrophobicContact CZ-CZ3 3.82Å; F204-L269 HydrophobicContact CD2-CD1 4.37Å; F204-L269 HydrophobicContact CD2-CD2 4.2Å; F204-L269 HydrophobicContact CD2-CG 4.42Å; F204-L269 HydrophobicContact CE2-CD2 4.38Å |
| 205 | L | 93 | Very high | 91.5 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 29% | 0.288 | 20% | 0.196 | S | C | . | . | I | π-helix | trans | -96.6 | -13.4 | -172 | -50.1 | -177.6 | 0 | 0 | 0 | 113.8 | S201 T262 W265 K266 L269 | S201-L205 WeakPolarHBondContact O-CA 3.49Å; S201-L205 WeakPolarHBondContact O-CB 3.43Å; S201-L205 WeakPolarHBondContact O-CG 3.41Å; S201-L205 PolarHBondContact O-N 2.94Å; L205-T262 HydrophobicContact CD2-CG2 4.49Å; L205-T262 WeakPolarHBondContact CD2-O 3.35Å; L205-W265 HydrophobicContact CD2-CB 3.71Å; L205-K266 HydrophobicContact CD1-CG 3.96Å; L205-K266 HydrophobicContact CD2-CG 3.66Å; L205-K266 HydrophobicContact CG-CG 4.47Å; L205-L269 HydrophobicContact CD1-CD1 4.02Å; L205-L269 HydrophobicContact CD2-CD1 4.37Å; L205-L269 HydrophobicContact CG-CD1 4.13Å |
| 206 | K | 91.9 | Very high | 91.3 | Very high | 103 Ų | 103 | 38.9 Ų | 38.9 | 45% | 0.448 | 20% | 0.196 | S | C | . | . | I | π-helix | trans | -119.3 | -67 | 176.3 | -177.4 | 178.8 | -176.7 | -179.8 | 0 | 111.7 | K202 P209 E210 | K202-K206 WeakPolarHBondContact O-CB 3.45Å; K206-P209 WeakPolarHBondContact O-CD 3.46Å; K206-E210 WeakPolarHBondContact CE-OE1 3.35Å; K206-E210 WeakPolarHBondContact CE-OE2 3.47Å; K206-E210 VanDerWaalsContact CG-CD 3.5Å; K206-E210 HydrophobicContact CG-CG 4.34Å; K206-E210 WeakPolarHBondContact CG-OE1 3.32Å; K206-E210 WeakPolarHBondContact CG-OE2 3.38Å; K206-E210 IonicContact NZ-OE1 3.62Å; K206-E210 WeakPolarHBondContact O-CB 3.19Å; K206-E210 VanDerWaalsContact O-CG 3.29Å; K206-E210 WeakPolarHBondContact O-CG 3.35Å; K206-E210 PolarHBondContact O-N 2.79Å |
| 207 | F | 92.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -68.9 | -43.3 | -165.1 | -78.1 | -53.8 | 0 | 0 | 0 | 114.7 | K202 L203 N211 W1188 I1192 | K202-F207 HydrophobicContact CD-CE2 3.84Å; K202-F207 HydrophobicContact CG-CD2 4.06Å; K202-F207 HydrophobicContact CG-CE2 3.74Å; K202-F207 VanDerWaalsContact O-CD2 3.28Å; K202-F207 WeakPolarHBondContact O-CD2 3.48Å; K202-F207 PolarHBondContact O-N 3.17Å; L203-F207 PolarHBondContact O-N 2.66Å; F207-N211 PolarHBondContact O-N 3.18Å; F207-N211 PolarHBondContact O-ND2 3.04Å; F207-W1188 AromaticContact CD2-CD2 3.85Å; F207-W1188 HydrophobicContact CD2-CD2 3.85Å; F207-W1188 AromaticContact CD2-CE3 3.36Å; F207-W1188 HydrophobicContact CD2-CE3 3.36Å; F207-W1188 HydrophobicContact CD2-CG 4.49Å; F207-W1188 HydrophobicContact CD2-CH2 4.45Å; F207-W1188 AromaticContact CD2-CZ3 3.7Å; F207-W1188 HydrophobicContact CD2-CZ3 3.7Å; F207-W1188 AromaticContact CE2-CD2 3.28Å; F207-W1188 HydrophobicContact CE2-CD2 3.28Å; F207-W1188 AromaticContact CE2-CE2 3.64Å; F207-W1188 AromaticContact CE2-CE3 3.25Å; F207-W1188 HydrophobicContact CE2-CE3 3.25Å; F207-W1188 AromaticContact CE2-CG 3.91Å; F207-W1188 HydrophobicContact CE2-CG 3.91Å; F207-W1188 AromaticContact CE2-CH2 3.93Å; F207-W1188 HydrophobicContact CE2-CH2 3.93Å; F207-W1188 AromaticContact CE2-CZ2 3.96Å; F207-W1188 HydrophobicContact CE2-CZ2 3.96Å; F207-W1188 AromaticContact CE2-CZ3 3.58Å; F207-W1188 HydrophobicContact CE2-CZ3 3.58Å; F207-W1188 HydrophobicContact CG-CE3 4.36Å; F207-W1188 AromaticContact CZ-CD2 3.79Å; F207-W1188 HydrophobicContact CZ-CD2 3.79Å; F207-W1188 HydrophobicContact CZ-CE3 4.19Å; F207-W1188 AromaticContact CZ-CG 3.94Å; F207-W1188 HydrophobicContact CZ-CG 3.94Å; F207-I1192 HydrophobicContact CB-CD1 3.62Å; F207-I1192 HydrophobicContact CB-CG1 3.99Å; F207-I1192 HydrophobicContact CD1-CD1 4.01Å; F207-I1192 HydrophobicContact CG-CD1 3.93Å |
| 208 | W | 92.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -46.5 | 175.6 | -74 | 4 | 0 | 0 | 0 | 112.5 | I172 L203 F204 N211 N212 C213 H215 T217 W265 L1191 | I172-W208 HydrophobicContact CD1-CH2 4.42Å; I172-W208 HydrophobicContact CD1-CZ2 3.87Å; L203-W208 HydrophobicContact CD2-CZ2 4.33Å; L203-W208 HydrophobicContact CG-CZ2 4.47Å; L203-W208 PolarHBondContact O-N 3.29Å; F204-W208 HydrophobicContact CD1-CD2 4.15Å; F204-W208 AromaticContact CD1-CE3 3.8Å; F204-W208 HydrophobicContact CD1-CE3 3.8Å; F204-W208 AromaticContact CD1-CH2 3.89Å; F204-W208 HydrophobicContact CD1-CH2 3.89Å; F204-W208 HydrophobicContact CD1-CZ2 4.21Å; F204-W208 AromaticContact CD1-CZ3 3.68Å; F204-W208 HydrophobicContact CD1-CZ3 3.68Å; F204-W208 HydrophobicContact CE1-CE3 4.39Å; F204-W208 AromaticContact CE1-CH2 3.63Å; F204-W208 HydrophobicContact CE1-CH2 3.63Å; F204-W208 HydrophobicContact CE1-CZ2 4.02Å; F204-W208 AromaticContact CE1-CZ3 3.84Å; F204-W208 HydrophobicContact CE1-CZ3 3.84Å; W208-N211 CarbonylContact O-C 3.6Å; W208-N211 PolarHBondContact O-N 2.99Å; W208-N212 WeakPolarHBondContact O-CA 3.33Å; W208-N212 PolarHBondContact O-N 3.28Å; W208-C213 PolarHBondContact O-N 3.42Å; W208-H215 AromaticContact CD2-CD2 3.77Å; W208-H215 AromaticContact CE2-CD2 3.49Å; W208-H215 VanDerWaalsContact CE2-CD2 3.49Å; W208-H215 HydrophobicContact CH2-CB 3.85Å; W208-H215 AromaticContact CH2-CD2 3.96Å; W208-H215 HydrophobicContact CZ2-CB 4.27Å; W208-H215 AromaticContact CZ2-CD2 3.63Å; W208-H215 HydrophobicContact CZ3-CB 4.12Å; W208-H215 AromaticContact NE1-CD2 3.87Å; W208-T217 HydrophobicContact CH2-CG2 4.32Å; W208-T217 WeakPolarHBondContact CH2-OG1 3.3Å; W208-W265 HydrophobicContact CH2-CZ2 4.45Å; W208-W265 AromaticContact CZ3-CZ2 3.76Å; W208-W265 HydrophobicContact CZ3-CZ2 3.76Å; W208-W265 AromaticContact CZ3-NE1 3.93Å; W208-L1191 PolarHBondContact NE1-O 2.94Å |
| 209 | P | 90 | Very high | 91.3 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 32% | 0.318 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 172 | -28.4 | 34.4 | 0 | 0 | 0 | 114.5 | F204 K206 N211 N212 T262 | F204-P209 WeakPolarHBondContact O-CD 3.42Å; F204-P209 WeakPolarHBondContact O-CG 3.15Å; K206-P209 WeakPolarHBondContact O-CD 3.46Å; P209-N211 VanDerWaalsContact C-N 3.25Å; P209-N211 PolarHBondContact O-N 3.49Å; P209-N212 PolarHBondContact O-N 2.9Å; P209-T262 HydrophobicContact CB-CG2 4.47Å; P209-T262 HydrophobicContact CG-CG2 3.66Å |
| 210 | E | 89.7 | Confident | 91.3 | Very high | 118 Ų | 118 | 34.1 Ų | 34.1 | 55% | 0.551 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -59.6 | -35.4 | 179.8 | -78.3 | 177 | 161.2 | 0 | 0 | 112.6 | K206 | K206-E210 WeakPolarHBondContact CE-OE1 3.35Å; K206-E210 WeakPolarHBondContact CE-OE2 3.47Å; K206-E210 VanDerWaalsContact CG-CD 3.5Å; K206-E210 HydrophobicContact CG-CG 4.34Å; K206-E210 WeakPolarHBondContact CG-OE1 3.32Å; K206-E210 WeakPolarHBondContact CG-OE2 3.38Å; K206-E210 IonicContact NZ-OE1 3.62Å; K206-E210 WeakPolarHBondContact O-CB 3.19Å; K206-E210 VanDerWaalsContact O-CG 3.29Å; K206-E210 WeakPolarHBondContact O-CG 3.35Å; K206-E210 PolarHBondContact O-N 2.79Å |
| 211 | N | 87 | Confident | 91.4 | Very high | 83 Ų | 83 | 34.2 Ų | 34.2 | 44% | 0.444 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.7 | 177.4 | -63.8 | -91.6 | 0 | 0 | 0 | 112.7 | F207 W208 P209 C213 I1192 | F207-N211 PolarHBondContact O-N 3.18Å; F207-N211 PolarHBondContact O-ND2 3.04Å; W208-N211 CarbonylContact O-C 3.6Å; W208-N211 PolarHBondContact O-N 2.99Å; P209-N211 VanDerWaalsContact C-N 3.25Å; P209-N211 PolarHBondContact O-N 3.49Å; N211-C213 VanDerWaalsContact CB-SG 3.6Å; N211-C213 PolarHBondContact O-N 3.08Å; N211-C213 VanDerWaalsContact O-N 3.13Å; N211-C213 PolarHBondContact O-SG 3.21Å; N211-I1192 HydrophobicContact CB-CG2 3.47Å; N211-I1192 VanDerWaalsContact CB-CG2 3.47Å |
| 212 | N | 87.3 | Confident | 91.6 | Very high | 91 Ų | 91 | 32.2 Ų | 32.2 | 49% | 0.487 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 31.9 | 179.9 | -154.8 | -25.2 | 0 | 0 | 0 | 113.7 | R106 W208 P209 N214 | R106-N212 PolarHBondContact NH1-ND2 3.02Å; R106-N212 PolarHBondContact NH1-O 2.6Å; R106-N212 PolarHBondContact NH1-OD1 3.39Å; R106-N212 PolarHBondContact NH2-O 3.45Å; R106-N212 PolarHBondContact NH2-OD1 3.34Å; W208-N212 WeakPolarHBondContact O-CA 3.33Å; W208-N212 PolarHBondContact O-N 3.28Å; P209-N212 PolarHBondContact O-N 2.9Å; N212-N214 PolarHBondContact O-ND2 2.89Å |
| 213 | C | 88.6 | Confident | 91.7 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | trans | -82.1 | 149.5 | -176.1 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | S168 W208 N211 I1192 | S168-C213 WeakPolarHBondContact O-CA 3.39Å; W208-C213 PolarHBondContact O-N 3.42Å; N211-C213 VanDerWaalsContact CB-SG 3.6Å; N211-C213 PolarHBondContact O-N 3.08Å; N211-C213 VanDerWaalsContact O-N 3.13Å; N211-C213 PolarHBondContact O-SG 3.21Å; C213-I1192 HydrophobicContact CB-CG2 4.3Å; C213-I1192 VanDerWaalsContact SG-CG2 3.56Å; C213-I1192 PolarHBondContact SG-O 3.41Å; C213-I1192 VanDerWaalsContact SG-O 3.34Å | ||
| 214 | N | 85.6 | Confident | 91.7 | Very high | 38 Ų | 38 | 29.5 Ų | 29.5 | 20% | 0.203 | 15% | 0.149 | C | C | . | . | trans | -146.3 | 76.3 | -161.9 | -89.7 | -100.2 | 0 | 0 | 0 | 109.8 | R106 S168 T169 N212 R259 | R106-N214 PolarHBondContact NH2-ND2 2.94Å; R106-N214 VanDerWaalsContact NH2-ND2 3.19Å; S168-N214 PolarHBondContact O-N 3.22Å; T169-N214 WeakPolarHBondContact CA-O 3.4Å; T169-N214 HydrophobicContact CG2-CB 3.85Å; T169-N214 WeakPolarHBondContact CG2-O 3.41Å; N212-N214 PolarHBondContact O-ND2 2.89Å; N214-R259 PolarHBondContact OD1-NE 3.24Å; N214-R259 VanDerWaalsContact OD1-NE 3.13Å; N214-R259 PolarHBondContact OD1-NH2 3.01Å | ||
| 215 | H | 90.7 | Very high | 91.7 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | trans | -91 | 142.5 | -176.1 | -58.2 | -78.3 | 0 | 0 | 0 | 112.1 | A170 I172 W208 T217 I1192 | A170-H215 PolarHBondContact N-ND1 2.88Å; A170-H215 VanDerWaalsContact O-CA 3.28Å; A170-H215 WeakPolarHBondContact O-CA 3.23Å; A170-H215 WeakPolarHBondContact O-CB 3.31Å; A170-H215 PolarHBondContact O-ND1 3.37Å; I172-H215 HydrophobicContact CD1-CB 3.92Å; I172-H215 VanDerWaalsContact CD1-CG 3.48Å; I172-H215 WeakPolarHBondContact CD1-ND1 3.43Å; I172-H215 HydrophobicContact CG1-CB 4.1Å; W208-H215 AromaticContact CD2-CD2 3.77Å; W208-H215 AromaticContact CE2-CD2 3.49Å; W208-H215 VanDerWaalsContact CE2-CD2 3.49Å; W208-H215 HydrophobicContact CH2-CB 3.85Å; W208-H215 AromaticContact CH2-CD2 3.96Å; W208-H215 HydrophobicContact CZ2-CB 4.27Å; W208-H215 AromaticContact CZ2-CD2 3.63Å; W208-H215 HydrophobicContact CZ3-CB 4.12Å; W208-H215 AromaticContact NE1-CD2 3.87Å; H215-T217 PolarHBondContact O-OG1 3.34Å; H215-I1192 PolarHBondContact CE1-O 2.98Å; H215-I1192 PolarHBondContact NE2-O 3.36Å; H215-I1192 VanDerWaalsContact NE2-O 3.15Å | ||
| 216 | D | 87.5 | Confident | 91.7 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 120.9 | 163.6 | -58.9 | -15.5 | 0 | 0 | 0 | 106.4 | A170 V171 I172 R335 | A170-D216 PolarHBondContact O-N 2.99Å; V171-D216 WeakPolarHBondContact CA-O 3.46Å; I172-D216 PolarHBondContact N-O 2.88Å; D216-R335 IonicContact OD1-CZ 3.48Å; D216-R335 VanDerWaalsContact OD1-CZ 3.23Å; D216-R335 IonicContact OD1-NE 3.24Å; D216-R335 PolarHBondContact OD1-NE 3.5Å; D216-R335 IonicContact OD1-NH2 3.86Å; D216-R335 PolarHBondContact OD1-NH2 2.9Å; D216-R335 WeakPolarHBondContact OD2-CD 3.46Å; D216-R335 VanDerWaalsContact OD2-CG 3.23Å; D216-R335 WeakPolarHBondContact OD2-CG 2.78Å; D216-R335 IonicContact OD2-CZ 3.14Å; D216-R335 IonicContact OD2-NE 3.87Å; D216-R335 PolarHBondContact OD2-NE 2.77Å; D216-R335 IonicContact OD2-NH2 3.18Å; D216-R335 PolarHBondContact OD2-NH2 2.92Å |
| 217 | T | 91.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.8 | -164.4 | -47.2 | 0 | 0 | 0 | 0 | 111.2 | I172 I174 W208 H215 V219 I255 N257 E258 W265 | I172-T217 WeakPolarHBondContact O-CA 3.43Å; I174-T217 HydrophobicContact CD1-CG2 3.67Å; I174-T217 HydrophobicContact CG1-CG2 4.16Å; W208-T217 HydrophobicContact CH2-CG2 4.32Å; W208-T217 WeakPolarHBondContact CH2-OG1 3.3Å; H215-T217 PolarHBondContact O-OG1 3.34Å; T217-V219 HydrophobicContact CG2-CG2 4.06Å; T217-I255 WeakPolarHBondContact O-CG2 3.47Å; T217-N257 PolarHBondContact O-N 2.7Å; T217-E258 PolarHBondContact N-O 2.85Å; T217-E258 PolarHBondContact O-N 3.02Å; T217-W265 HydrophobicContact CG2-CH2 3.85Å; T217-W265 HydrophobicContact CG2-CZ2 4.19Å |
| 218 | T | 92 | Very high | 91.1 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130.3 | 172.2 | -64.8 | 0 | 0 | 0 | 0 | 108.4 | I172 I174 V220 I255 Q256 N257 | I172-T218 PolarHBondContact O-N 3.27Å; I174-T218 PolarHBondContact N-O 2.66Å; T218-V220 HydrophobicContact CG2-CG2 3.95Å; T218-I255 CarbonylContact C-O 3.59Å; T218-I255 WeakPolarHBondContact CA-O 3.42Å; T218-Q256 VanDerWaalsContact CG2-OE1 3.24Å; T218-N257 PolarHBondContact OG1-N 2.67Å |
| 219 | V | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.8 | -177.5 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | I174 I176 T217 I254 I255 M272 | I174-V219 HydrophobicContact CB-CG2 4.21Å; I174-V219 HydrophobicContact CG2-CG1 4.23Å; I174-V219 HydrophobicContact CG2-CG2 4.46Å; I174-V219 WeakPolarHBondContact O-CA 3.45Å; I176-V219 HydrophobicContact CD1-CG1 3.99Å; T217-V219 HydrophobicContact CG2-CG2 4.06Å; V219-I254 PolarHBondContact O-N 3.37Å; V219-I255 HydrophobicContact CB-CB 4.05Å; V219-I255 HydrophobicContact CB-CD1 4.18Å; V219-I255 HydrophobicContact CB-CG1 4.43Å; V219-I255 HydrophobicContact CG2-CB 4.1Å; V219-I255 HydrophobicContact CG2-CD1 3.83Å; V219-I255 HydrophobicContact CG2-CG1 4.46Å; V219-I255 PolarHBondContact N-O 2.78Å; V219-I255 PolarHBondContact O-N 2.88Å; V219-M272 HydrophobicContact CG1-CE 3.75Å; V219-M272 HydrophobicContact CG1-SD 4.33Å |
| 220 | V | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.9 | -172.8 | -166.9 | 0 | 0 | 0 | 0 | 110.3 | I174 F175 I176 T218 Y251 R252 V253 L2345 | I174-V220 PolarHBondContact O-N 3.03Å; F175-V220 WeakPolarHBondContact CA-O 3.46Å; F175-V220 HydrophobicContact CD1-CB 3.72Å; F175-V220 HydrophobicContact CD1-CG1 4.16Å; F175-V220 HydrophobicContact CD1-CG2 4.19Å; F175-V220 HydrophobicContact CE1-CB 3.86Å; F175-V220 HydrophobicContact CE1-CG1 4.11Å; F175-V220 HydrophobicContact CE1-CG2 3.89Å; F175-V220 HydrophobicContact CZ-CG2 4.44Å; I176-V220 PolarHBondContact N-O 2.76Å; T218-V220 HydrophobicContact CG2-CG2 3.95Å; V220-Y251 HydrophobicContact CG1-CD1 4.17Å; V220-R252 WeakPolarHBondContact CA-O 3.48Å; V220-V253 HydrophobicContact CG1-CG2 4.17Å; V220-V253 HydrophobicContact CG2-CG2 4.2Å; V220-L2345 HydrophobicContact CG2-CD1 3.91Å |
| 221 | F | 96.4 | Very high | 89.4 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 1% | 0.013 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 135.1 | 164.1 | -67.1 | -5.4 | 0 | 0 | 0 | 109 | I176 M178 Y251 R252 I254 M272 E275 V276 F279 | I176-F221 HydrophobicContact CB-CD1 3.91Å; I176-F221 HydrophobicContact CB-CE1 4.22Å; I176-F221 HydrophobicContact CD1-CD1 4.24Å; I176-F221 HydrophobicContact CD1-CE1 3.84Å; I176-F221 HydrophobicContact CG2-CD1 4.24Å; I176-F221 HydrophobicContact CG2-CE1 4.3Å; I176-F221 WeakPolarHBondContact O-CA 3.33Å; M178-F221 HydrophobicContact CG-CB 3.89Å; M178-F221 HydrophobicContact CG-CD2 4.26Å; M178-F221 HydrophobicContact CG-CG 4.05Å; M178-F221 HydrophobicContact SD-CD2 4.41Å; M178-F221 HydrophobicContact SD-CG 4.38Å; F221-Y251 WeakPolarHBondContact O-CA 3.44Å; F221-R252 HydrophobicContact CB-CB 4.33Å; F221-R252 PolarHBondContact N-O 3.05Å; F221-R252 PolarHBondContact O-N 3.09Å; F221-I254 HydrophobicContact CD1-CD1 3.69Å; F221-I254 HydrophobicContact CD2-CD1 3.77Å; F221-I254 HydrophobicContact CE1-CD1 3.43Å; F221-I254 VanDerWaalsContact CE1-CD1 3.43Å; F221-I254 HydrophobicContact CE2-CD1 3.48Å; F221-I254 VanDerWaalsContact CE2-CD1 3.48Å; F221-I254 HydrophobicContact CG-CD1 3.87Å; F221-I254 HydrophobicContact CZ-CD1 3.31Å; F221-M272 HydrophobicContact CE1-CE 4.08Å; F221-M272 HydrophobicContact CZ-CE 4.46Å; F221-E275 HydrophobicContact CE2-CB 4.39Å; F221-V276 HydrophobicContact CD2-CG2 4.42Å; F221-V276 HydrophobicContact CE2-CB 4.3Å; F221-V276 HydrophobicContact CE2-CG2 3.31Å; F221-V276 HydrophobicContact CZ-CG2 3.4Å; F221-V276 VanDerWaalsContact CZ-CG2 3.4Å; F221-F279 HydrophobicContact CB-CD2 4.41Å; F221-F279 HydrophobicContact CB-CE2 3.88Å; F221-F279 HydrophobicContact CB-CZ 4.31Å; F221-F279 HydrophobicContact CD2-CD2 4.07Å; F221-F279 HydrophobicContact CD2-CE2 4.38Å |
| 222 | F | 96.4 | Very high | 89 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.3 | 177.4 | 74.8 | -87.7 | 0 | 0 | 0 | 111.7 | F175 I176 Q177 M178 F250 Y251 N312 V316 V342 | F175-F222 HydrophobicContact CB-CD1 3.83Å; F175-F222 HydrophobicContact CB-CE1 3.73Å; F175-F222 HydrophobicContact CD1-CD1 4.33Å; I176-F222 WeakPolarHBondContact O-CD1 3.35Å; I176-F222 PolarHBondContact O-N 3.41Å; I176-F222 VanDerWaalsContact O-N 3.09Å; Q177-F222 HydrophobicContact CB-CE1 3.74Å; Q177-F222 HydrophobicContact CB-CE2 4.03Å; Q177-F222 HydrophobicContact CB-CZ 3.44Å; Q177-F222 VanDerWaalsContact CB-CZ 3.44Å; Q177-F222 HydrophobicContact CG-CE1 4.42Å; Q177-F222 HydrophobicContact CG-CE2 3.8Å; Q177-F222 HydrophobicContact CG-CZ 3.7Å; M178-F222 PolarHBondContact N-O 2.97Å; F222-F250 WeakPolarHBondContact CA-O 3.47Å; F222-Y251 HydrophobicContact CB-CD1 3.72Å; F222-Y251 HydrophobicContact CB-CE1 3.7Å; F222-N312 WeakPolarHBondContact CD2-OD1 3.35Å; F222-V316 HydrophobicContact CB-CG2 4.23Å; F222-V316 HydrophobicContact CD1-CG2 4.14Å; F222-V316 HydrophobicContact CD2-CG2 3.45Å; F222-V316 VanDerWaalsContact CD2-CG2 3.45Å; F222-V316 HydrophobicContact CE1-CG2 4.33Å; F222-V316 HydrophobicContact CE2-CG2 3.68Å; F222-V316 HydrophobicContact CG-CG2 3.69Å; F222-V316 HydrophobicContact CZ-CG2 4.1Å; F222-V342 HydrophobicContact CE1-CG1 4.24Å; F222-V342 HydrophobicContact CZ-CG1 4.24Å |
| 223 | T | 95.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 164.5 | 174.5 | -164 | 0 | 0 | 0 | 0 | 111.9 | M178 I225 F250 F279 I283 | M178-T223 VanDerWaalsContact O-CB 3.29Å; M178-T223 WeakPolarHBondContact O-CB 3.3Å; M178-T223 PolarHBondContact O-OG1 3.42Å; T223-I225 HydrophobicContact CG2-CG1 4.29Å; T223-F250 HydrophobicContact CG2-CB 3.95Å; T223-F250 PolarHBondContact N-O 3.32Å; T223-F250 PolarHBondContact O-N 3.2Å; T223-F279 HydrophobicContact CG2-CE1 3.83Å; T223-F279 HydrophobicContact CG2-CZ 3.76Å; T223-I283 HydrophobicContact CG2-CD1 4.09Å |
| 224 | R | 94.7 | Very high | 88 | Confident | 19 Ų | 19 | 27.9 Ų | 27.9 | 7% | 0.072 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.2 | 168.5 | 171.5 | 167.8 | -71.6 | 161.4 | -5.2 | 107.8 | Y226 Y247 D249 C306 E315 | R224-Y226 WeakPolarHBondContact CD-OH 3.49Å; R224-Y226 HydrophobicContact CG-CE2 4.33Å; R224-Y247 HydrophobicContact CG-CD2 3.88Å; R224-Y247 HydrophobicContact CG-CG 4.14Å; R224-Y247 VanDerWaalsContact CZ-CE2 3.47Å; R224-Y247 VanDerWaalsContact NE-CE2 3.26Å; R224-Y247 VanDerWaalsContact NH2-CE2 3.27Å; R224-D249 WeakPolarHBondContact CB-OD1 3.41Å; R224-D249 WeakPolarHBondContact CG-OD1 3.38Å; R224-D249 IonicContact CZ-OD1 3.12Å; R224-D249 IonicContact CZ-OD2 2.7Å; R224-D249 IonicContact NE-OD1 3.51Å; R224-D249 PolarHBondContact NE-OD1 3.17Å; R224-D249 IonicContact NE-OD2 2.65Å; R224-D249 IonicContact NH2-OD1 2.88Å; R224-D249 PolarHBondContact NH2-OD1 3.3Å; R224-D249 VanDerWaalsContact NH2-OD1 3.16Å; R224-D249 IonicContact NH2-OD2 3.12Å; R224-D249 PolarHBondContact NH2-OD2 2.92Å; R224-C306 HydrophobicContact CB-CB 4.02Å; R224-C306 HydrophobicContact CG-CB 4.39Å; R224-C306 VanDerWaalsContact O-CB 3.26Å; R224-C306 WeakPolarHBondContact O-CB 3.48Å; R224-C306 PolarHBondContact O-N 2.96Å; R224-E315 IonicContact CZ-OE1 3.97Å; R224-E315 IonicContact NH1-OE1 3.56Å; R224-E315 IonicContact NH2-OE1 3.23Å; R224-E315 PolarHBondContact NH2-OE1 2.88Å |
| 225 | I | 93.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.6 | 174.4 | -63.1 | -170.9 | 0 | 0 | 0 | 109.2 | T223 Y247 E248 F250 I283 L303 N304 | T223-I225 HydrophobicContact CG2-CG1 4.29Å; I225-Y247 WeakPolarHBondContact O-CA 3.48Å; I225-Y247 WeakPolarHBondContact O-CB 3.47Å; I225-E248 PolarHBondContact N-O 2.71Å; I225-E248 PolarHBondContact O-N 2.95Å; I225-E248 VanDerWaalsContact O-N 3.1Å; I225-F250 HydrophobicContact CB-CD2 4.44Å; I225-F250 HydrophobicContact CB-CE2 4.23Å; I225-F250 HydrophobicContact CD1-CD2 4.21Å; I225-F250 HydrophobicContact CD1-CE2 4.2Å; I225-F250 HydrophobicContact CG1-CD2 4.12Å; I225-F250 HydrophobicContact CG1-CE2 4.28Å; I225-I283 HydrophobicContact CD1-CB 4.31Å; I225-I283 HydrophobicContact CD1-CD1 4.26Å; I225-I283 HydrophobicContact CD1-CG2 3.48Å; I225-I283 VanDerWaalsContact CD1-CG2 3.48Å; I225-L303 HydrophobicContact CG2-CB 4.33Å; I225-L303 HydrophobicContact CG2-CD2 4.42Å; I225-N304 WeakPolarHBondContact CA-O 3.49Å |
| 226 | Y | 92.1 | Very high | 86.7 | Confident | 15 Ų | 15 | 35.3 Ų | 35.3 | 6% | 0.059 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 140.5 | 169.2 | -67.1 | -73.6 | 0 | 0 | 0 | 110.4 | R224 R245 Y246 Y247 N304 C306 D310 | R224-Y226 WeakPolarHBondContact CD-OH 3.49Å; R224-Y226 HydrophobicContact CG-CE2 4.33Å; Y226-R245 HydrophobicContact CD1-CB 3.81Å; Y226-R245 HydrophobicContact CE1-CB 4.04Å; Y226-R245 PolarHBondContact OH-NH2 2.87Å; Y226-R245 VanDerWaalsContact OH-NH2 3.16Å; Y226-Y246 WeakPolarHBondContact CA-O 3.47Å; Y226-Y247 HydrophobicContact CE1-CD1 4.44Å; Y226-Y247 HydrophobicContact CE1-CG 4.49Å; Y226-N304 PolarHBondContact N-O 3.24Å; Y226-N304 PolarHBondContact O-N 3.4Å; Y226-C306 HydrophobicContact CD2-CB 4.2Å; Y226-C306 HydrophobicContact CE2-CB 3.73Å; Y226-D310 HydrophobicContact CE2-CB 4.2Å; Y226-D310 PolarHBondContact OH-O 2.94Å |
| 227 | I | 88.4 | Confident | 86.2 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 105 | -176.8 | -51.6 | -176.3 | 0 | 0 | 0 | 108.7 | V230 F238 Y246 L287 L303 | I227-V230 HydrophobicContact CB-CG2 3.81Å; I227-V230 HydrophobicContact CG2-CG2 3.55Å; I227-F238 HydrophobicContact CD1-CD1 3.68Å; I227-F238 HydrophobicContact CD1-CD2 4.49Å; I227-F238 HydrophobicContact CD1-CE1 3.33Å; I227-F238 HydrophobicContact CD1-CE2 4.2Å; I227-F238 HydrophobicContact CD1-CG 4.25Å; I227-F238 HydrophobicContact CD1-CZ 3.62Å; I227-Y246 PolarHBondContact N-O 3.04Å; I227-L287 HydrophobicContact CD1-CD2 4.37Å; I227-L303 HydrophobicContact CB-CD2 4.17Å; I227-L303 HydrophobicContact CD1-CD2 4.33Å; I227-L303 HydrophobicContact CG1-CD2 3.77Å; I227-L303 HydrophobicContact CG2-CD2 3.85Å |
| 228 | D | 83.1 | Confident | 85.6 | Confident | 61 Ų | 61 | 39 Ų | 39 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 141.4 | 172.7 | -54.1 | -18.9 | 0 | 0 | 0 | 109.1 | T301 K302 N304 | D228-T301 WeakPolarHBondContact O-CG2 3.5Å; D228-K302 HydrophobicContact CB-CB 4.13Å; D228-K302 VanDerWaalsContact CB-O 3.31Å; D228-K302 WeakPolarHBondContact CB-O 3.22Å; D228-K302 VanDerWaalsContact CG-O 3.23Å; D228-K302 PolarHBondContact N-O 3.21Å; D228-K302 VanDerWaalsContact N-O 3.08Å; D228-K302 WeakPolarHBondContact OD2-CB 3.38Å; D228-K302 WeakPolarHBondContact OD2-CG 3.35Å; D228-K302 IonicContact OD2-NZ 2.78Å; D228-K302 PolarHBondContact OD2-NZ 3Å; D228-N304 PolarHBondContact OD1-ND2 3.38Å; D228-N304 PolarHBondContact OD2-ND2 2.99Å |
| 229 | D | 78.7 | Confident | 85.3 | Confident | 104 Ų | 104 | 41.1 Ų | 41.1 | 56% | 0.556 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 48.7 | 177.8 | -67.5 | -7.5 | 0 | 0 | 0 | 116.4 | P231 T301 | D229-P231 WeakPolarHBondContact O-CD 3.39Å; D229-T301 HydrophobicContact CB-CG2 4.21Å; D229-T301 WeakPolarHBondContact O-CG2 3.22Å |
| 230 | V | 79.2 | Confident | 84.8 | Confident | 26 Ų | 26 | 46 Ų | 46 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | trans | -58.4 | 125.9 | 173 | 171.9 | 0 | 0 | 0 | 0 | 112.2 | I227 F238 Y246 | I227-V230 HydrophobicContact CB-CG2 3.81Å; I227-V230 HydrophobicContact CG2-CG2 3.55Å; V230-F238 HydrophobicContact CG1-CD2 3.8Å; V230-F238 HydrophobicContact CG1-CE2 4.21Å; V230-F238 HydrophobicContact CG2-CD2 4.11Å; V230-F238 HydrophobicContact CG2-CE2 4.49Å; V230-Y246 HydrophobicContact CB-CD2 4.07Å; V230-Y246 HydrophobicContact CB-CG 4.32Å; V230-Y246 HydrophobicContact CG2-CD2 3.99Å; V230-Y246 HydrophobicContact CG2-CG 3.89Å | ||
| 231 | P | 79.6 | Confident | 84 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 16% | 0.162 | 25% | 0.25 | C | S | . | . | trans | -60.1 | 139.8 | 171.1 | -23.3 | 34.1 | 0 | 0 | 0 | 112 | D229 E233 Y234 S235 I294 | D229-P231 WeakPolarHBondContact O-CD 3.39Å; P231-E233 PolarHBondContact O-N 3.42Å; P231-E233 VanDerWaalsContact O-N 3.11Å; P231-Y234 HydrophobicContact CB-CD2 4.38Å; P231-Y234 HydrophobicContact CG-CD2 4.28Å; P231-Y234 PolarHBondContact O-N 3.44Å; P231-S235 PolarHBondContact O-N 3.16Å; P231-I294 HydrophobicContact CG-CG1 4.4Å | ||
| 232 | S | 77.5 | Confident | 82.8 | Confident | 99 Ų | 99 | 49.6 Ų | 49.6 | 69% | 0.692 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -54.4 | -35.3 | -178.7 | 49 | 0 | 0 | 0 | 0 | 113.1 | Y234 S235 | S232-Y234 PolarHBondContact O-N 3.37Å; S232-S235 WeakPolarHBondContact O-CB 3.47Å; S232-S235 PolarHBondContact O-N 3.45Å; S232-S235 VanDerWaalsContact O-N 3.15Å; S232-S235 PolarHBondContact O-OG 2.89Å |
| 233 | E | 77.4 | Confident | 82 | Confident | 135 Ų | 135 | 54.6 Ų | 54.6 | 63% | 0.631 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -57 | -24.4 | 175.3 | -59.4 | 156.1 | 136 | 0 | 0 | 113.9 | P231 L293 | P231-E233 PolarHBondContact O-N 3.42Å; P231-E233 VanDerWaalsContact O-N 3.11Å; E233-L293 WeakPolarHBondContact OE2-CD1 3.24Å |
| 234 | Y | 78.5 | Confident | 81.3 | Confident | 41 Ų | 41 | 58.5 Ų | 58.5 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -114.8 | 4.7 | 179.1 | -57.8 | -39.1 | 0 | 0 | 0 | 113.7 | P231 S232 Q236 S237 F238 Y291 L293 I294 | P231-Y234 HydrophobicContact CB-CD2 4.38Å; P231-Y234 HydrophobicContact CG-CD2 4.28Å; P231-Y234 PolarHBondContact O-N 3.44Å; S232-Y234 PolarHBondContact O-N 3.37Å; Y234-Q236 PolarHBondContact O-N 2.72Å; Y234-Q236 VanDerWaalsContact O-N 3.17Å; Y234-S237 WeakPolarHBondContact O-CB 3.45Å; Y234-S237 PolarHBondContact O-N 2.98Å; Y234-F238 VanDerWaalsContact O-CD2 3.31Å; Y234-F238 WeakPolarHBondContact O-CD2 3.34Å; Y234-Y291 HydrophobicContact CD1-CD1 4.15Å; Y234-Y291 HydrophobicContact CD2-CD1 4.22Å; Y234-Y291 HydrophobicContact CE1-CD1 4.3Å; Y234-Y291 HydrophobicContact CE2-CD1 4.38Å; Y234-Y291 HydrophobicContact CG-CD1 4.11Å; Y234-L293 HydrophobicContact CE2-CB 3.79Å; Y234-L293 HydrophobicContact CE2-CD1 4.26Å; Y234-L293 HydrophobicContact CE2-CG 4.16Å; Y234-L293 WeakPolarHBondContact OH-CG 3.39Å; Y234-I294 HydrophobicContact CD2-CG1 4.14Å; Y234-I294 HydrophobicContact CE2-CG1 4.36Å |
| 235 | S | 75.3 | Confident | 80.9 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32.2 | 179.7 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | P231 S232 | P231-S235 PolarHBondContact O-N 3.16Å; S232-S235 WeakPolarHBondContact O-CB 3.47Å; S232-S235 PolarHBondContact O-N 3.45Å; S232-S235 VanDerWaalsContact O-N 3.15Å; S232-S235 PolarHBondContact O-OG 2.89Å |
| 236 | Q | 73.8 | Confident | 80.8 | Confident | 157 Ų | 157 | 64.6 Ų | 64.6 | 73% | 0.734 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15.5 | 176.4 | -63.5 | -175.9 | -16 | 0 | 0 | 114 | Y234 | Y234-Q236 PolarHBondContact O-N 2.72Å; Y234-Q236 VanDerWaalsContact O-N 3.17Å |
| 237 | S | 75.2 | Confident | 80.8 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 46% | 0.455 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -20.5 | -178.8 | -54 | 0 | 0 | 0 | 0 | 113 | Y234 | Y234-S237 WeakPolarHBondContact O-CB 3.45Å; Y234-S237 PolarHBondContact O-N 2.98Å |
| 238 | F | 79.9 | Confident | 80.9 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -108.2 | 151.2 | -178.8 | -62.1 | -65.3 | 0 | 0 | 0 | 111.2 | I227 V230 Y234 Y246 E248 L287 Y291 I294 | I227-F238 HydrophobicContact CD1-CD1 3.68Å; I227-F238 HydrophobicContact CD1-CD2 4.49Å; I227-F238 HydrophobicContact CD1-CE1 3.33Å; I227-F238 HydrophobicContact CD1-CE2 4.2Å; I227-F238 HydrophobicContact CD1-CG 4.25Å; I227-F238 HydrophobicContact CD1-CZ 3.62Å; V230-F238 HydrophobicContact CG1-CD2 3.8Å; V230-F238 HydrophobicContact CG1-CE2 4.21Å; V230-F238 HydrophobicContact CG2-CD2 4.11Å; V230-F238 HydrophobicContact CG2-CE2 4.49Å; Y234-F238 VanDerWaalsContact O-CD2 3.31Å; Y234-F238 WeakPolarHBondContact O-CD2 3.34Å; F238-Y246 HydrophobicContact CB-CD1 4.05Å; F238-E248 HydrophobicContact CD1-CB 4.18Å; F238-E248 HydrophobicContact CE1-CB 4.4Å; F238-L287 HydrophobicContact CE1-CD2 4.46Å; F238-Y291 HydrophobicContact CE1-CD2 4.11Å; F238-Y291 AromaticContact CE1-CE2 3.57Å; F238-Y291 HydrophobicContact CE1-CE2 3.57Å; F238-Y291 AromaticContact CE1-CZ 3.8Å; F238-Y291 HydrophobicContact CZ-CD1 4.11Å; F238-Y291 AromaticContact CZ-CD2 3.59Å; F238-Y291 HydrophobicContact CZ-CD2 3.59Å; F238-Y291 HydrophobicContact CZ-CE1 4.03Å; F238-Y291 AromaticContact CZ-CE2 3.48Å; F238-Y291 HydrophobicContact CZ-CE2 3.48Å; F238-Y291 VanDerWaalsContact CZ-CE2 3.48Å; F238-Y291 AromaticContact CZ-CG 3.89Å; F238-Y291 HydrophobicContact CZ-CG 3.89Å; F238-Y291 AromaticContact CZ-CZ 3.71Å; F238-I294 HydrophobicContact CE2-CD1 4.08Å; F238-I294 HydrophobicContact CZ-CD1 3.88Å |
| 239 | K | 84.8 | Confident | 81.5 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 156 | 172.9 | -64.1 | -178.5 | -169.3 | 166.1 | 0 | 110.1 | Y246 Y247 D249 S1546 | K239-Y246 CarbonylContact O-C 3.58Å; K239-Y246 VanDerWaalsContact O-CA 3.24Å; K239-Y246 WeakPolarHBondContact O-CA 3.38Å; K239-Y247 HydrophobicContact CB-CD1 4.07Å; K239-Y247 HydrophobicContact CB-CD2 4.26Å; K239-Y247 HydrophobicContact CB-CE1 3.62Å; K239-Y247 HydrophobicContact CB-CE2 3.83Å; K239-Y247 HydrophobicContact CB-CG 4.37Å; K239-Y247 VanDerWaalsContact CB-CZ 3.48Å; K239-Y247 HydrophobicContact CD-CD2 4.48Å; K239-Y247 HydrophobicContact CD-CE2 3.56Å; K239-Y247 WeakPolarHBondContact CD-OH 3.37Å; K239-Y247 HydrophobicContact CG-CE2 4.33Å; K239-Y247 PolarHBondContact N-O 3.13Å; K239-Y247 VanDerWaalsContact N-O 3.11Å; K239-Y247 PolarHBondContact O-N 2.97Å; K239-D249 IonicContact NZ-OD2 3.53Å; K239-D249 PolarHBondContact NZ-OD2 2.98Å; K239-S1546 WeakPolarHBondContact CE-O 3.37Å; K239-S1546 PolarHBondContact NZ-O 3.03Å |
| 240 | Q | 84 | Confident | 82.3 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 143 | 171.9 | -162.6 | 171.4 | 30.3 | 0 | 0 | 110.1 | S244 R245 | Q240-S244 PolarHBondContact NE2-O 2.98Å; Q240-R245 CarbonylContact C-O 3.22Å; Q240-R245 WeakPolarHBondContact CA-O 3.5Å |
| 241 | D | 80.8 | Confident | 83.1 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | trans | -95.1 | 174 | 174.1 | 79.3 | -1.9 | 0 | 0 | 0 | 112.6 | L243 S244 R245 Y247 | D241-L243 PolarHBondContact O-N 3.33Å; D241-L243 VanDerWaalsContact OD1-CA 3.3Å; D241-L243 WeakPolarHBondContact OD1-CA 3.34Å; D241-L243 WeakPolarHBondContact OD1-CB 3.29Å; D241-L243 PolarHBondContact OD1-N 3.45Å; D241-S244 WeakPolarHBondContact O-CA 3.41Å; D241-S244 PolarHBondContact O-N 3.21Å; D241-S244 PolarHBondContact OD1-N 3.12Å; D241-S244 VanDerWaalsContact OD1-N 3.13Å; D241-R245 PolarHBondContact N-O 2.86Å; D241-R245 WeakPolarHBondContact OD1-CB 3.46Å; D241-R245 PolarHBondContact OD1-N 3.46Å; D241-R245 IonicContact OD1-NE 2.76Å; D241-R245 IonicContact OD2-CZ 2.75Å; D241-R245 IonicContact OD2-NE 3.59Å; D241-R245 PolarHBondContact OD2-NE 3.21Å; D241-R245 IonicContact OD2-NH2 2.76Å; D241-R245 PolarHBondContact OD2-NH2 3.15Å; D241-Y247 HydrophobicContact CB-CD1 4.18Å; D241-Y247 HydrophobicContact CB-CE1 3.93Å | ||
| 242 | A | 71.3 | Confident | 83.8 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 44% | 0.438 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -2.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L390 | A242-L390 HydrophobicContact CB-CB 4.02Å; A242-L390 HydrophobicContact CB-CD1 4.13Å |
| 243 | L | 78.9 | Confident | 84.5 | Confident | 105 Ų | 105 | 51.5 Ų | 51.5 | 55% | 0.55 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 16.7 | 170.2 | -58.9 | 179.1 | 0 | 0 | 0 | 111.4 | D241 R245 | D241-L243 PolarHBondContact O-N 3.33Å; D241-L243 VanDerWaalsContact OD1-CA 3.3Å; D241-L243 WeakPolarHBondContact OD1-CA 3.34Å; D241-L243 WeakPolarHBondContact OD1-CB 3.29Å; D241-L243 PolarHBondContact OD1-N 3.45Å; L243-R245 HydrophobicContact CB-CG 4.38Å; L243-R245 PolarHBondContact O-N 2.73Å |
| 244 | S | 80.4 | Confident | 85.2 | Confident | 83 Ų | 83 | 45.2 Ų | 45.2 | 58% | 0.58 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 63.1 | 15.8 | -179.5 | -58.6 | 0 | 0 | 0 | 0 | 115.7 | Q240 D241 | Q240-S244 PolarHBondContact NE2-O 2.98Å; D241-S244 WeakPolarHBondContact O-CA 3.41Å; D241-S244 PolarHBondContact O-N 3.21Å; D241-S244 PolarHBondContact OD1-N 3.12Å; D241-S244 VanDerWaalsContact OD1-N 3.13Å |
| 245 | R | 86.6 | Confident | 85.7 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 31% | 0.306 | 23% | 0.229 | S | C | . | . | trans | -85.6 | 138.4 | 179.6 | -55.7 | 178.7 | -65.8 | -177.8 | -0.9 | 111.3 | Y226 Q240 D241 L243 D310 | Y226-R245 HydrophobicContact CD1-CB 3.81Å; Y226-R245 HydrophobicContact CE1-CB 4.04Å; Y226-R245 PolarHBondContact OH-NH2 2.87Å; Y226-R245 VanDerWaalsContact OH-NH2 3.16Å; Q240-R245 CarbonylContact C-O 3.22Å; Q240-R245 WeakPolarHBondContact CA-O 3.5Å; D241-R245 PolarHBondContact N-O 2.86Å; D241-R245 WeakPolarHBondContact OD1-CB 3.46Å; D241-R245 PolarHBondContact OD1-N 3.46Å; D241-R245 IonicContact OD1-NE 2.76Å; D241-R245 IonicContact OD2-CZ 2.75Å; D241-R245 IonicContact OD2-NE 3.59Å; D241-R245 PolarHBondContact OD2-NE 3.21Å; D241-R245 IonicContact OD2-NH2 2.76Å; D241-R245 PolarHBondContact OD2-NH2 3.15Å; L243-R245 HydrophobicContact CB-CG 4.38Å; L243-R245 PolarHBondContact O-N 2.73Å; R245-D310 IonicContact CZ-OD2 3.84Å; R245-D310 VanDerWaalsContact CZ-OD2 3.27Å; R245-D310 IonicContact NH1-OD2 3.81Å; R245-D310 PolarHBondContact NH1-OD2 2.93Å; R245-D310 IonicContact NH2-OD2 3.22Å; R245-D310 PolarHBondContact NH2-OD2 2.68Å | ||
| 246 | Y | 90.5 | Very high | 86.2 | Confident | 70 Ų | 70 | 43.9 Ų | 43.9 | 28% | 0.275 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 139.8 | 175.4 | -69.2 | -79.2 | 0 | 0 | 0 | 112.5 | Y226 I227 V230 F238 K239 | Y226-Y246 WeakPolarHBondContact CA-O 3.47Å; I227-Y246 PolarHBondContact N-O 3.04Å; V230-Y246 HydrophobicContact CB-CD2 4.07Å; V230-Y246 HydrophobicContact CB-CG 4.32Å; V230-Y246 HydrophobicContact CG2-CD2 3.99Å; V230-Y246 HydrophobicContact CG2-CG 3.89Å; F238-Y246 HydrophobicContact CB-CD1 4.05Å; K239-Y246 CarbonylContact O-C 3.58Å; K239-Y246 VanDerWaalsContact O-CA 3.24Å; K239-Y246 WeakPolarHBondContact O-CA 3.38Å |
| 247 | Y | 92.4 | Very high | 86.6 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 159.3 | 179.8 | 71.9 | -88.5 | 0 | 0 | 0 | 115 | R224 I225 Y226 K239 D241 D249 | R224-Y247 HydrophobicContact CG-CD2 3.88Å; R224-Y247 HydrophobicContact CG-CG 4.14Å; R224-Y247 VanDerWaalsContact CZ-CE2 3.47Å; R224-Y247 VanDerWaalsContact NE-CE2 3.26Å; R224-Y247 VanDerWaalsContact NH2-CE2 3.27Å; I225-Y247 WeakPolarHBondContact O-CA 3.48Å; I225-Y247 WeakPolarHBondContact O-CB 3.47Å; Y226-Y247 HydrophobicContact CE1-CD1 4.44Å; Y226-Y247 HydrophobicContact CE1-CG 4.49Å; K239-Y247 HydrophobicContact CB-CD1 4.07Å; K239-Y247 HydrophobicContact CB-CD2 4.26Å; K239-Y247 HydrophobicContact CB-CE1 3.62Å; K239-Y247 HydrophobicContact CB-CE2 3.83Å; K239-Y247 HydrophobicContact CB-CG 4.37Å; K239-Y247 VanDerWaalsContact CB-CZ 3.48Å; K239-Y247 HydrophobicContact CD-CD2 4.48Å; K239-Y247 HydrophobicContact CD-CE2 3.56Å; K239-Y247 WeakPolarHBondContact CD-OH 3.37Å; K239-Y247 HydrophobicContact CG-CE2 4.33Å; K239-Y247 PolarHBondContact N-O 3.13Å; K239-Y247 VanDerWaalsContact N-O 3.11Å; K239-Y247 PolarHBondContact O-N 2.97Å; D241-Y247 HydrophobicContact CB-CD1 4.18Å; D241-Y247 HydrophobicContact CB-CE1 3.93Å; Y247-D249 WeakPolarHBondContact CD2-OD1 3.27Å; Y247-D249 WeakPolarHBondContact CE2-OD2 3.41Å |
| 248 | E | 91.9 | Very high | 86.9 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 141.2 | 165.5 | -170.1 | 173.4 | -171.1 | 0 | 0 | 109.4 | I225 F238 F250 Y286 L287 | I225-E248 PolarHBondContact N-O 2.71Å; I225-E248 PolarHBondContact O-N 2.95Å; I225-E248 VanDerWaalsContact O-N 3.1Å; F238-E248 HydrophobicContact CD1-CB 4.18Å; F238-E248 HydrophobicContact CE1-CB 4.4Å; E248-F250 HydrophobicContact CB-CE2 3.76Å; E248-F250 HydrophobicContact CB-CZ 4.1Å; E248-F250 HydrophobicContact CG-CE2 3.85Å; E248-F250 HydrophobicContact CG-CZ 3.81Å; E248-F250 WeakPolarHBondContact OE2-CZ 3.23Å; E248-Y286 WeakPolarHBondContact OE1-CE1 3.19Å; E248-Y286 PolarHBondContact OE1-OH 2.6Å; E248-L287 VanDerWaalsContact OE2-CD2 3.31Å; E248-L287 WeakPolarHBondContact OE2-CD2 3.5Å |
| 249 | D | 95.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.6 | -177.7 | -69.2 | -30.3 | 0 | 0 | 0 | 110.5 | R224 K239 Y247 Y251 Y1545 A1548 | R224-D249 WeakPolarHBondContact CB-OD1 3.41Å; R224-D249 WeakPolarHBondContact CG-OD1 3.38Å; R224-D249 IonicContact CZ-OD1 3.12Å; R224-D249 IonicContact CZ-OD2 2.7Å; R224-D249 IonicContact NE-OD1 3.51Å; R224-D249 PolarHBondContact NE-OD1 3.17Å; R224-D249 IonicContact NE-OD2 2.65Å; R224-D249 IonicContact NH2-OD1 2.88Å; R224-D249 PolarHBondContact NH2-OD1 3.3Å; R224-D249 VanDerWaalsContact NH2-OD1 3.16Å; R224-D249 IonicContact NH2-OD2 3.12Å; R224-D249 PolarHBondContact NH2-OD2 2.92Å; K239-D249 IonicContact NZ-OD2 3.53Å; K239-D249 PolarHBondContact NZ-OD2 2.98Å; Y247-D249 WeakPolarHBondContact CD2-OD1 3.27Å; Y247-D249 WeakPolarHBondContact CE2-OD2 3.41Å; D249-Y251 HydrophobicContact CB-CE2 4.3Å; D249-Y1545 WeakPolarHBondContact CB-OH 3.41Å; D249-Y1545 WeakPolarHBondContact OD2-CE2 3.46Å; D249-Y1545 PolarHBondContact OD2-OH 3.16Å; D249-A1548 PolarHBondContact O-N 3.16Å |
| 250 | F | 95.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.5 | -171.8 | -71.1 | -86.3 | 0 | 0 | 0 | 112.7 | F222 T223 I225 E248 I283 Y286 L287 A1548 Y1557 | F222-F250 WeakPolarHBondContact CA-O 3.47Å; T223-F250 HydrophobicContact CG2-CB 3.95Å; T223-F250 PolarHBondContact N-O 3.32Å; T223-F250 PolarHBondContact O-N 3.2Å; I225-F250 HydrophobicContact CB-CD2 4.44Å; I225-F250 HydrophobicContact CB-CE2 4.23Å; I225-F250 HydrophobicContact CD1-CD2 4.21Å; I225-F250 HydrophobicContact CD1-CE2 4.2Å; I225-F250 HydrophobicContact CG1-CD2 4.12Å; I225-F250 HydrophobicContact CG1-CE2 4.28Å; E248-F250 HydrophobicContact CB-CE2 3.76Å; E248-F250 HydrophobicContact CB-CZ 4.1Å; E248-F250 HydrophobicContact CG-CE2 3.85Å; E248-F250 HydrophobicContact CG-CZ 3.81Å; E248-F250 WeakPolarHBondContact OE2-CZ 3.23Å; F250-I283 HydrophobicContact CB-CD1 4.14Å; F250-I283 HydrophobicContact CD1-CD1 4.47Å; F250-I283 HydrophobicContact CD1-CG1 4.08Å; F250-I283 HydrophobicContact CD1-CG2 3.86Å; F250-I283 HydrophobicContact CD2-CG2 4.01Å; F250-I283 HydrophobicContact CE1-CG2 3.62Å; F250-I283 HydrophobicContact CE2-CG2 3.76Å; F250-I283 HydrophobicContact CG-CD1 4.16Å; F250-I283 HydrophobicContact CG-CG1 4.27Å; F250-I283 HydrophobicContact CG-CG2 4.07Å; F250-I283 HydrophobicContact CZ-CG2 3.57Å; F250-Y286 AromaticContact CE1-CD1 3.53Å; F250-Y286 HydrophobicContact CE1-CD1 3.53Å; F250-Y286 AromaticContact CE1-CE1 3.55Å; F250-Y286 HydrophobicContact CE1-CE1 3.55Å; F250-Y286 AromaticContact CZ-CD1 3.95Å; F250-Y286 HydrophobicContact CZ-CD1 3.95Å; F250-Y286 AromaticContact CZ-CE1 3.84Å; F250-Y286 HydrophobicContact CZ-CE1 3.84Å; F250-L287 HydrophobicContact CZ-CD1 4.42Å; F250-L287 HydrophobicContact CZ-CD2 4.06Å; F250-L287 HydrophobicContact CZ-CG 4.17Å; F250-A1548 HydrophobicContact CD1-CB 3.56Å; F250-A1548 HydrophobicContact CE1-CB 3.57Å; F250-A1548 HydrophobicContact CG-CB 4.36Å; F250-A1548 HydrophobicContact CZ-CB 4.39Å; F250-Y1557 HydrophobicContact CB-CE1 4.34Å; F250-Y1557 AromaticContact CD1-CD1 3.89Å; F250-Y1557 HydrophobicContact CD1-CD1 3.89Å; F250-Y1557 AromaticContact CD1-CE1 3.95Å; F250-Y1557 HydrophobicContact CD1-CE1 3.95Å; F250-Y1557 HydrophobicContact CD1-CG 4.21Å |
| 251 | Y | 95.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121.3 | 178.2 | -66.4 | -92.5 | 0 | 0 | 0 | 111.5 | V220 F221 F222 D249 N312 V316 M319 Y1545 Y1547 A1548 L1549 Q1550 | V220-Y251 HydrophobicContact CG1-CD1 4.17Å; F221-Y251 WeakPolarHBondContact O-CA 3.44Å; F222-Y251 HydrophobicContact CB-CD1 3.72Å; F222-Y251 HydrophobicContact CB-CE1 3.7Å; D249-Y251 HydrophobicContact CB-CE2 4.3Å; Y251-N312 PolarHBondContact OH-ND2 3.3Å; Y251-V316 HydrophobicContact CE1-CG2 3.78Å; Y251-M319 HydrophobicContact CD1-CE 3.64Å; Y251-M319 HydrophobicContact CD2-CE 4.02Å; Y251-M319 HydrophobicContact CE1-CE 3.25Å; Y251-M319 HydrophobicContact CE2-CE 3.68Å; Y251-M319 HydrophobicContact CG-CE 3.99Å; Y251-Y1545 HydrophobicContact CE2-CE1 4.14Å; Y251-Y1545 PolarHBondContact OH-OH 3.01Å; Y251-Y1545 VanDerWaalsContact OH-OH 3.09Å; Y251-Y1547 AromaticContact CD2-CD2 3.79Å; Y251-Y1547 HydrophobicContact CD2-CD2 3.79Å; Y251-Y1547 HydrophobicContact CD2-CG 4.19Å; Y251-Y1547 HydrophobicContact CE2-CD2 4.23Å; Y251-Y1547 HydrophobicContact CE2-CG 4.23Å; Y251-A1548 PolarHBondContact N-O 3.31Å; Y251-L1549 WeakPolarHBondContact O-CA 3.42Å; Y251-Q1550 PolarHBondContact O-N 3.25Å |
| 252 | R | 94.5 | Very high | 86.7 | Confident | 19 Ų | 19 | 37 Ų | 37 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 109.9 | 174.4 | 172.2 | 59.3 | 169.7 | 165.7 | -9.1 | 109.1 | V220 F221 I254 E275 F279 V1551 | V220-R252 WeakPolarHBondContact CA-O 3.48Å; F221-R252 HydrophobicContact CB-CB 4.33Å; F221-R252 PolarHBondContact N-O 3.05Å; F221-R252 PolarHBondContact O-N 3.09Å; R252-I254 HydrophobicContact CG-CG1 4.27Å; R252-E275 IonicContact CZ-OE1 2.86Å; R252-E275 IonicContact CZ-OE2 3.01Å; R252-E275 VanDerWaalsContact CZ-OE2 3.22Å; R252-E275 IonicContact NE-OE2 3.49Å; R252-E275 PolarHBondContact NE-OE2 3.07Å; R252-E275 IonicContact NH2-OE1 2.73Å; R252-E275 PolarHBondContact NH2-OE1 2.92Å; R252-E275 IonicContact NH2-OE2 3.25Å; R252-E275 PolarHBondContact NH2-OE2 2.75Å; R252-F279 HydrophobicContact CB-CD2 4.22Å; R252-F279 HydrophobicContact CB-CE2 3.87Å; R252-V1551 PolarHBondContact NH1-O 3.28Å |
| 253 | V | 92.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 125.7 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | V220 Q256 L1549 Q1550 P1552 L2345 | V220-V253 HydrophobicContact CG1-CG2 4.17Å; V220-V253 HydrophobicContact CG2-CG2 4.2Å; V253-Q256 HydrophobicContact CG1-CB 4.05Å; V253-L1549 HydrophobicContact CG2-CD1 4.01Å; V253-Q1550 PolarHBondContact N-O 3.38Å; V253-P1552 HydrophobicContact CB-CG 4.45Å; V253-P1552 HydrophobicContact CG1-CG 3.96Å; V253-L2345 HydrophobicContact CG2-CB 4.45Å; V253-L2345 HydrophobicContact CG2-CD2 4.39Å |
| 254 | I | 91.9 | Very high | 87.4 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -41.2 | -177.4 | -51.6 | 174.5 | 0 | 0 | 0 | 110.5 | V219 F221 R252 M272 E275 | V219-I254 PolarHBondContact O-N 3.37Å; F221-I254 HydrophobicContact CD1-CD1 3.69Å; F221-I254 HydrophobicContact CD2-CD1 3.77Å; F221-I254 HydrophobicContact CE1-CD1 3.43Å; F221-I254 VanDerWaalsContact CE1-CD1 3.43Å; F221-I254 HydrophobicContact CE2-CD1 3.48Å; F221-I254 VanDerWaalsContact CE2-CD1 3.48Å; F221-I254 HydrophobicContact CG-CD1 3.87Å; F221-I254 HydrophobicContact CZ-CD1 3.31Å; R252-I254 HydrophobicContact CG-CG1 4.27Å; I254-M272 HydrophobicContact CD1-CG 4.33Å; I254-M272 HydrophobicContact CG2-CG 4.14Å; I254-E275 HydrophobicContact CD1-CB 4.29Å; I254-E275 HydrophobicContact CG2-CG 4.27Å |
| 255 | I | 89.1 | Confident | 87.8 | Confident | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.8 | 179.9 | -61.3 | 165.2 | 0 | 0 | 0 | 106.3 | T217 T218 V219 E258 F260 W265 E268 M272 | T217-I255 WeakPolarHBondContact O-CG2 3.47Å; T218-I255 CarbonylContact C-O 3.59Å; T218-I255 WeakPolarHBondContact CA-O 3.42Å; V219-I255 HydrophobicContact CB-CB 4.05Å; V219-I255 HydrophobicContact CB-CD1 4.18Å; V219-I255 HydrophobicContact CB-CG1 4.43Å; V219-I255 HydrophobicContact CG2-CB 4.1Å; V219-I255 HydrophobicContact CG2-CD1 3.83Å; V219-I255 HydrophobicContact CG2-CG1 4.46Å; V219-I255 PolarHBondContact N-O 2.78Å; V219-I255 PolarHBondContact O-N 2.88Å; I255-E258 HydrophobicContact CG2-CB 3.93Å; I255-F260 HydrophobicContact CD1-CE2 3.97Å; I255-F260 HydrophobicContact CG1-CE2 4.1Å; I255-F260 HydrophobicContact CG2-CD2 4.47Å; I255-F260 HydrophobicContact CG2-CE2 3.59Å; I255-F260 HydrophobicContact CG2-CZ 4.31Å; I255-W265 HydrophobicContact CD1-CH2 4.3Å; I255-W265 HydrophobicContact CD1-CZ3 3.86Å; I255-E268 HydrophobicContact CD1-CB 4.18Å; I255-M272 HydrophobicContact CD1-SD 4.34Å |
| 256 | Q | 85.4 | Confident | 87.9 | Confident | 49 Ų | 49 | 33.2 Ų | 33.2 | 23% | 0.229 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.8 | -178.9 | -176.2 | 71.9 | -0.6 | 0 | 0 | 109.8 | T218 V253 E258 P1552 | T218-Q256 VanDerWaalsContact CG2-OE1 3.24Å; V253-Q256 HydrophobicContact CG1-CB 4.05Å; Q256-E258 VanDerWaalsContact C-N 3.31Å; Q256-E258 PolarHBondContact O-N 3.09Å; Q256-P1552 HydrophobicContact CB-CG 4.33Å |
| 257 | N | 81.2 | Confident | 87.8 | Confident | 37 Ų | 37 | 35.9 Ų | 35.9 | 20% | 0.198 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 37.1 | 174 | -160.5 | 50.9 | 0 | 0 | 0 | 116 | T217 T218 H2606 | T217-N257 PolarHBondContact O-N 2.7Å; T218-N257 PolarHBondContact OG1-N 2.67Å; N257-H2606 PolarHBondContact ND2-O 3.18Å; N257-H2606 VanDerWaalsContact ND2-O 3.08Å |
| 258 | E | 81.3 | Confident | 87.6 | Confident | 28 Ų | 28 | 35.1 Ų | 35.1 | 13% | 0.131 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 153.3 | -174.8 | -95.5 | -60 | 163 | 0 | 0 | 114.6 | T217 I255 Q256 F260 K2610 R2613 | T217-E258 PolarHBondContact N-O 2.85Å; T217-E258 PolarHBondContact O-N 3.02Å; I255-E258 HydrophobicContact CG2-CB 3.93Å; Q256-E258 VanDerWaalsContact C-N 3.31Å; Q256-E258 PolarHBondContact O-N 3.09Å; E258-F260 HydrophobicContact CB-CD2 4.36Å; E258-F260 HydrophobicContact CB-CE1 4.14Å; E258-F260 HydrophobicContact CB-CE2 3.81Å; E258-F260 HydrophobicContact CB-CZ 3.68Å; E258-F260 HydrophobicContact CG-CE1 4.29Å; E258-F260 HydrophobicContact CG-CZ 3.97Å; E258-K2610 IonicContact OE2-NZ 2.72Å; E258-R2613 IonicContact OE1-CZ 3.68Å; E258-R2613 IonicContact OE1-NH1 2.85Å; E258-R2613 PolarHBondContact OE1-NH1 3.45Å; E258-R2613 IonicContact OE1-NH2 2.71Å; E258-R2613 PolarHBondContact OE1-NH2 3.31Å; E258-R2613 IonicContact OE2-NH1 3.25Å |
| 259 | R | 79.5 | Confident | 87.7 | Confident | 44 Ų | 44 | 35 Ų | 35 | 17% | 0.166 | 17% | 0.169 | C | C | . | . | trans | -116.6 | 100.4 | 178.6 | -177.1 | 170.6 | 170.1 | 168.2 | -2.2 | 109.7 | D107 N214 R335 K2610 | D107-R259 IonicContact OD1-CZ 2.75Å; D107-R259 VanDerWaalsContact OD1-CZ 3.24Å; D107-R259 IonicContact OD1-NH1 2.73Å; D107-R259 PolarHBondContact OD1-NH1 2.82Å; D107-R259 IonicContact OD1-NH2 3.76Å; D107-R259 PolarHBondContact OD1-NH2 3.39Å; D107-R259 IonicContact OD2-NH2 3.34Å; N214-R259 PolarHBondContact OD1-NE 3.24Å; N214-R259 VanDerWaalsContact OD1-NE 3.13Å; N214-R259 PolarHBondContact OD1-NH2 3.01Å; R259-R335 VanDerWaalsContact NH1-CZ 3.27Å; R259-R335 VanDerWaalsContact NH1-NH2 3.12Å; R259-K2610 WeakPolarHBondContact O-CD 3.26Å; R259-K2610 PolarHBondContact O-NZ 2.97Å; R259-K2610 VanDerWaalsContact O-NZ 3.16Å | ||
| 260 | F | 81.8 | Confident | 87.4 | Confident | 24 Ų | 24 | 36.7 Ų | 36.7 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | trans | -99.3 | 141.3 | -175.3 | -71.3 | -45.5 | 0 | 0 | 0 | 113.4 | I255 E258 D264 W265 E268 | I255-F260 HydrophobicContact CD1-CE2 3.97Å; I255-F260 HydrophobicContact CG1-CE2 4.1Å; I255-F260 HydrophobicContact CG2-CD2 4.47Å; I255-F260 HydrophobicContact CG2-CE2 3.59Å; I255-F260 HydrophobicContact CG2-CZ 4.31Å; E258-F260 HydrophobicContact CB-CD2 4.36Å; E258-F260 HydrophobicContact CB-CE1 4.14Å; E258-F260 HydrophobicContact CB-CE2 3.81Å; E258-F260 HydrophobicContact CB-CZ 3.68Å; E258-F260 HydrophobicContact CG-CE1 4.29Å; E258-F260 HydrophobicContact CG-CZ 3.97Å; F260-D264 HydrophobicContact CB-CB 3.64Å; F260-D264 HydrophobicContact CD1-CB 3.54Å; F260-D264 HydrophobicContact CE1-CB 4.5Å; F260-D264 HydrophobicContact CG-CB 3.84Å; F260-W265 HydrophobicContact CB-CD2 3.96Å; F260-W265 HydrophobicContact CB-CG 4Å; F260-W265 HydrophobicContact CB-CZ2 4.2Å; F260-W265 HydrophobicContact CD2-CD2 4.27Å; F260-W265 HydrophobicContact CD2-CE3 4.25Å; F260-W265 AromaticContact CD2-CH2 3.97Å; F260-W265 HydrophobicContact CD2-CH2 3.97Å; F260-W265 AromaticContact CD2-CZ2 3.97Å; F260-W265 HydrophobicContact CD2-CZ2 3.97Å; F260-W265 HydrophobicContact CD2-CZ3 4.11Å; F260-W265 PolarHBondContact O-NE1 3.17Å; F260-E268 HydrophobicContact CD2-CG 4.13Å; F260-E268 HydrophobicContact CE1-CG 4.24Å; F260-E268 HydrophobicContact CE2-CG 3.7Å; F260-E268 HydrophobicContact CZ-CG 3.77Å | ||
| 261 | T | 82.1 | Confident | 87.1 | Confident | 78 Ų | 78 | 41.1 Ų | 41.1 | 48% | 0.479 | 20% | 0.203 | S | C | . | . | trans | -75.1 | 169.6 | 168.3 | 66.4 | 0 | 0 | 0 | 0 | 111.2 | D263 D264 W265 | T261-D263 PolarHBondContact O-N 2.84Å; T261-D263 VanDerWaalsContact O-N 3.15Å; T261-D264 WeakPolarHBondContact CB-OD2 3.38Å; T261-D264 WeakPolarHBondContact CG2-OD2 3.41Å; T261-D264 PolarHBondContact N-OD2 3.13Å; T261-D264 PolarHBondContact O-N 3.44Å; T261-D264 PolarHBondContact OG1-N 2.85Å; T261-D264 PolarHBondContact OG1-OD2 2.93Å; T261-W265 VanDerWaalsContact O-CD1 3.31Å; T261-W265 PolarHBondContact O-N 3.09Å | ||
| 262 | T | 82.5 | Confident | 87 | Confident | 54 Ų | 54 | 41.2 Ų | 41.2 | 33% | 0.331 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.6 | 176.6 | -39.6 | 0 | 0 | 0 | 0 | 113.5 | L205 P209 K266 | L205-T262 HydrophobicContact CD2-CG2 4.49Å; L205-T262 WeakPolarHBondContact CD2-O 3.35Å; P209-T262 HydrophobicContact CB-CG2 4.47Å; P209-T262 HydrophobicContact CG-CG2 3.66Å; T262-K266 VanDerWaalsContact O-CE 3.31Å; T262-K266 WeakPolarHBondContact O-CE 3.43Å; T262-K266 WeakPolarHBondContact O-CG 3.36Å |
| 263 | D | 79.9 | Confident | 86.8 | Confident | 108 Ų | 108 | 44.6 Ų | 44.6 | 58% | 0.578 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -34.5 | 178 | -68.9 | -50.4 | 0 | 0 | 0 | 112.4 | T261 W265 K266 R267 | T261-D263 PolarHBondContact O-N 2.84Å; T261-D263 VanDerWaalsContact O-N 3.15Å; D263-W265 VanDerWaalsContact C-N 3.34Å; D263-W265 PolarHBondContact O-N 2.83Å; D263-K266 PolarHBondContact O-N 2.86Å; D263-K266 IonicContact OD1-NZ 3.16Å; D263-K266 PolarHBondContact OD1-NZ 3.42Å; D263-R267 PolarHBondContact O-N 3.33Å |
| 264 | D | 84.4 | Confident | 86.7 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58 | -46.2 | 168.3 | -65.8 | -51.5 | 0 | 0 | 0 | 111.2 | F260 T261 K266 R267 E268 K2610 | F260-D264 HydrophobicContact CB-CB 3.64Å; F260-D264 HydrophobicContact CD1-CB 3.54Å; F260-D264 HydrophobicContact CE1-CB 4.5Å; F260-D264 HydrophobicContact CG-CB 3.84Å; T261-D264 WeakPolarHBondContact CB-OD2 3.38Å; T261-D264 WeakPolarHBondContact CG2-OD2 3.41Å; T261-D264 PolarHBondContact N-OD2 3.13Å; T261-D264 PolarHBondContact O-N 3.44Å; T261-D264 PolarHBondContact OG1-N 2.85Å; T261-D264 PolarHBondContact OG1-OD2 2.93Å; D264-K266 PolarHBondContact O-N 2.73Å; D264-K266 VanDerWaalsContact O-N 3.17Å; D264-R267 WeakPolarHBondContact O-CA 3.24Å; D264-R267 WeakPolarHBondContact O-CB 3.34Å; D264-R267 PolarHBondContact O-N 2.77Å; D264-R267 IonicContact OD1-CZ 3.63Å; D264-R267 IonicContact OD1-NH1 2.8Å; D264-R267 PolarHBondContact OD1-NH1 3.02Å; D264-R267 IonicContact OD1-NH2 3.28Å; D264-R267 PolarHBondContact OD1-NH2 3.46Å; D264-E268 PolarHBondContact O-N 2.81Å; D264-K2610 IonicContact OD2-NZ 2.67Å |
| 265 | W | 89.1 | Confident | 86.6 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.2 | -29.7 | 179.1 | -83.6 | 120.2 | 0 | 0 | 0 | 113.4 | F204 L205 W208 T217 I255 F260 T261 D263 L269 | F204-W265 HydrophobicContact CB-CB 4.04Å; F204-W265 HydrophobicContact CB-CD2 3.91Å; F204-W265 HydrophobicContact CB-CE3 4.39Å; F204-W265 HydrophobicContact CB-CG 3.75Å; F204-W265 HydrophobicContact CD1-CD2 4.22Å; F204-W265 HydrophobicContact CD1-CE3 4.45Å; F204-W265 HydrophobicContact CD1-CH2 4.43Å; F204-W265 HydrophobicContact CD1-CZ2 4.19Å; F204-W265 AromaticContact CD2-CD2 3.88Å; F204-W265 HydrophobicContact CD2-CD2 3.88Å; F204-W265 AromaticContact CD2-CE3 3.49Å; F204-W265 HydrophobicContact CD2-CE3 3.49Å; F204-W265 VanDerWaalsContact CD2-CE3 3.49Å; F204-W265 HydrophobicContact CD2-CH2 4.47Å; F204-W265 AromaticContact CD2-CZ3 3.83Å; F204-W265 HydrophobicContact CD2-CZ3 3.83Å; F204-W265 HydrophobicContact CE1-CH2 4.05Å; F204-W265 HydrophobicContact CE1-CZ2 4.13Å; F204-W265 HydrophobicContact CE1-CZ3 4.32Å; F204-W265 HydrophobicContact CE2-CD2 4.42Å; F204-W265 AromaticContact CE2-CE3 3.73Å; F204-W265 HydrophobicContact CE2-CE3 3.73Å; F204-W265 HydrophobicContact CE2-CH2 4.09Å; F204-W265 AromaticContact CE2-CZ3 3.54Å; F204-W265 HydrophobicContact CE2-CZ3 3.54Å; F204-W265 AromaticContact CG-CD2 3.76Å; F204-W265 HydrophobicContact CG-CD2 3.76Å; F204-W265 AromaticContact CG-CE3 3.89Å; F204-W265 HydrophobicContact CG-CE3 3.89Å; F204-W265 HydrophobicContact CG-CG 4.17Å; F204-W265 HydrophobicContact CG-CZ3 4.33Å; F204-W265 HydrophobicContact CZ-CE3 4.32Å; F204-W265 AromaticContact CZ-CH2 3.87Å; F204-W265 HydrophobicContact CZ-CH2 3.87Å; F204-W265 HydrophobicContact CZ-CZ2 4.4Å; F204-W265 AromaticContact CZ-CZ3 3.82Å; F204-W265 HydrophobicContact CZ-CZ3 3.82Å; L205-W265 HydrophobicContact CD2-CB 3.71Å; W208-W265 HydrophobicContact CH2-CZ2 4.45Å; W208-W265 AromaticContact CZ3-CZ2 3.76Å; W208-W265 HydrophobicContact CZ3-CZ2 3.76Å; W208-W265 AromaticContact CZ3-NE1 3.93Å; T217-W265 HydrophobicContact CG2-CH2 3.85Å; T217-W265 HydrophobicContact CG2-CZ2 4.19Å; I255-W265 HydrophobicContact CD1-CH2 4.3Å; I255-W265 HydrophobicContact CD1-CZ3 3.86Å; F260-W265 HydrophobicContact CB-CD2 3.96Å; F260-W265 HydrophobicContact CB-CG 4Å; F260-W265 HydrophobicContact CB-CZ2 4.2Å; F260-W265 HydrophobicContact CD2-CD2 4.27Å; F260-W265 HydrophobicContact CD2-CE3 4.25Å; F260-W265 AromaticContact CD2-CH2 3.97Å; F260-W265 HydrophobicContact CD2-CH2 3.97Å; F260-W265 AromaticContact CD2-CZ2 3.97Å; F260-W265 HydrophobicContact CD2-CZ2 3.97Å; F260-W265 HydrophobicContact CD2-CZ3 4.11Å; F260-W265 PolarHBondContact O-NE1 3.17Å; T261-W265 VanDerWaalsContact O-CD1 3.31Å; T261-W265 PolarHBondContact O-N 3.09Å; D263-W265 VanDerWaalsContact C-N 3.34Å; D263-W265 PolarHBondContact O-N 2.83Å; W265-L269 VanDerWaalsContact O-CB 3.3Å; W265-L269 WeakPolarHBondContact O-CB 3.49Å; W265-L269 WeakPolarHBondContact O-CD1 3.08Å; W265-L269 WeakPolarHBondContact O-CG 3.38Å; W265-L269 PolarHBondContact O-N 2.93Å |
| 266 | K | 89.2 | Confident | 86.7 | Confident | 106 Ų | 106 | 52.6 Ų | 52.6 | 46% | 0.461 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 174.7 | -64.3 | 166.6 | -166.6 | 165.3 | 0 | 111.4 | L205 T262 D263 D264 G270 | L205-K266 HydrophobicContact CD1-CG 3.96Å; L205-K266 HydrophobicContact CD2-CG 3.66Å; L205-K266 HydrophobicContact CG-CG 4.47Å; T262-K266 VanDerWaalsContact O-CE 3.31Å; T262-K266 WeakPolarHBondContact O-CE 3.43Å; T262-K266 WeakPolarHBondContact O-CG 3.36Å; D263-K266 PolarHBondContact O-N 2.86Å; D263-K266 IonicContact OD1-NZ 3.16Å; D263-K266 PolarHBondContact OD1-NZ 3.42Å; D264-K266 PolarHBondContact O-N 2.73Å; D264-K266 VanDerWaalsContact O-N 3.17Å; K266-G270 PolarHBondContact O-N 3.41Å |
| 267 | R | 87.6 | Confident | 86.9 | Confident | 125 Ų | 125 | 56.3 Ų | 56.3 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.3 | -50.8 | 177 | -176.8 | -172.4 | 67.7 | -120.4 | -6.4 | 110.7 | D263 D264 L269 G270 R271 | D263-R267 PolarHBondContact O-N 3.33Å; D264-R267 WeakPolarHBondContact O-CA 3.24Å; D264-R267 WeakPolarHBondContact O-CB 3.34Å; D264-R267 PolarHBondContact O-N 2.77Å; D264-R267 IonicContact OD1-CZ 3.63Å; D264-R267 IonicContact OD1-NH1 2.8Å; D264-R267 PolarHBondContact OD1-NH1 3.02Å; D264-R267 IonicContact OD1-NH2 3.28Å; D264-R267 PolarHBondContact OD1-NH2 3.46Å; R267-L269 PolarHBondContact O-N 3.24Å; R267-G270 PolarHBondContact O-N 2.98Å; R267-G270 VanDerWaalsContact O-N 3.1Å; R267-R271 PolarHBondContact O-N 2.92Å |
| 268 | E | 89.2 | Confident | 87.2 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.2 | -32.3 | -178.3 | -59 | -46.3 | 124.1 | 0 | 0 | 112.9 | I255 F260 D264 G270 R271 M272 | I255-E268 HydrophobicContact CD1-CB 4.18Å; F260-E268 HydrophobicContact CD2-CG 4.13Å; F260-E268 HydrophobicContact CE1-CG 4.24Å; F260-E268 HydrophobicContact CE2-CG 3.7Å; F260-E268 HydrophobicContact CZ-CG 3.77Å; D264-E268 PolarHBondContact O-N 2.81Å; E268-G270 VanDerWaalsContact C-N 3.27Å; E268-G270 PolarHBondContact O-N 3.41Å; E268-R271 WeakPolarHBondContact O-CB 3.28Å; E268-R271 PolarHBondContact O-N 3.05Å; E268-R271 WeakPolarHBondContact OE2-CD 3.11Å; E268-R271 IonicContact OE2-CZ 3.11Å; E268-R271 IonicContact OE2-NE 2.64Å; E268-R271 IonicContact OE2-NH1 3.54Å; E268-R271 PolarHBondContact OE2-NH1 3.33Å; E268-M272 WeakPolarHBondContact O-CB 3.49Å; E268-M272 VanDerWaalsContact O-CG 3.31Å; E268-M272 WeakPolarHBondContact O-CG 3.39Å; E268-M272 PolarHBondContact O-N 3.35Å |
| 269 | L | 93.1 | Very high | 87.6 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -36.2 | 171.1 | -77.9 | 167.7 | 0 | 0 | 0 | 112.2 | F197 L200 F204 L205 W265 R267 M272 Q273 | F197-L269 HydrophobicContact CD1-CD2 4.08Å; F197-L269 HydrophobicContact CE1-CD2 4.38Å; L200-L269 HydrophobicContact CB-CD2 3.94Å; F204-L269 HydrophobicContact CD2-CD1 4.37Å; F204-L269 HydrophobicContact CD2-CD2 4.2Å; F204-L269 HydrophobicContact CD2-CG 4.42Å; F204-L269 HydrophobicContact CE2-CD2 4.38Å; L205-L269 HydrophobicContact CD1-CD1 4.02Å; L205-L269 HydrophobicContact CD2-CD1 4.37Å; L205-L269 HydrophobicContact CG-CD1 4.13Å; W265-L269 VanDerWaalsContact O-CB 3.3Å; W265-L269 WeakPolarHBondContact O-CB 3.49Å; W265-L269 WeakPolarHBondContact O-CD1 3.08Å; W265-L269 WeakPolarHBondContact O-CG 3.38Å; W265-L269 PolarHBondContact O-N 2.93Å; R267-L269 PolarHBondContact O-N 3.24Å; L269-M272 HydrophobicContact CD2-SD 4.47Å; L269-Q273 WeakPolarHBondContact O-CG 3.35Å; L269-Q273 PolarHBondContact O-N 3.45Å |
| 270 | G | 90.2 | Very high | 88 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.6 | -41.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K266 R267 E268 Q273 Y274 | K266-G270 PolarHBondContact O-N 3.41Å; R267-G270 PolarHBondContact O-N 2.98Å; R267-G270 VanDerWaalsContact O-N 3.1Å; E268-G270 VanDerWaalsContact C-N 3.27Å; E268-G270 PolarHBondContact O-N 3.41Å; G270-Q273 PolarHBondContact O-N 2.87Å; G270-Y274 PolarHBondContact O-N 3.48Å |
| 271 | R | 89.2 | Confident | 88.3 | Confident | 94 Ų | 94 | 60.9 Ų | 60.9 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 173.1 | -176.4 | -169.4 | -179.6 | -178.5 | 4.1 | 111.7 | R267 E268 Q273 Y274 E275 D1553 | R267-R271 PolarHBondContact O-N 2.92Å; E268-R271 WeakPolarHBondContact O-CB 3.28Å; E268-R271 PolarHBondContact O-N 3.05Å; E268-R271 WeakPolarHBondContact OE2-CD 3.11Å; E268-R271 IonicContact OE2-CZ 3.11Å; E268-R271 IonicContact OE2-NE 2.64Å; E268-R271 IonicContact OE2-NH1 3.54Å; E268-R271 PolarHBondContact OE2-NH1 3.33Å; R271-Q273 VanDerWaalsContact C-N 3.29Å; R271-Q273 PolarHBondContact O-N 3.35Å; R271-Y274 WeakPolarHBondContact O-CB 3.27Å; R271-Y274 PolarHBondContact O-N 2.91Å; R271-Y274 VanDerWaalsContact O-N 3.11Å; R271-E275 PolarHBondContact O-N 3.15Å; R271-D1553 IonicContact NH2-OD1 3.34Å |
| 272 | M | 92.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 176.5 | -75.2 | 177.1 | 66.3 | 0 | 0 | 112.3 | I176 F197 L200 V219 F221 I254 I255 E268 L269 Y274 E275 V276 | I176-M272 HydrophobicContact CD1-CE 3.81Å; F197-M272 HydrophobicContact CE1-CB 3.78Å; F197-M272 HydrophobicContact CE1-CE 4.26Å; F197-M272 HydrophobicContact CZ-CB 3.99Å; L200-M272 HydrophobicContact CD1-CE 3.91Å; V219-M272 HydrophobicContact CG1-CE 3.75Å; V219-M272 HydrophobicContact CG1-SD 4.33Å; F221-M272 HydrophobicContact CE1-CE 4.08Å; F221-M272 HydrophobicContact CZ-CE 4.46Å; I254-M272 HydrophobicContact CD1-CG 4.33Å; I254-M272 HydrophobicContact CG2-CG 4.14Å; I255-M272 HydrophobicContact CD1-SD 4.34Å; E268-M272 WeakPolarHBondContact O-CB 3.49Å; E268-M272 VanDerWaalsContact O-CG 3.31Å; E268-M272 WeakPolarHBondContact O-CG 3.39Å; E268-M272 PolarHBondContact O-N 3.35Å; L269-M272 HydrophobicContact CD2-SD 4.47Å; M272-Y274 VanDerWaalsContact C-N 3.34Å; M272-E275 PolarHBondContact O-N 3.26Å; M272-V276 WeakPolarHBondContact O-CG2 3.48Å; M272-V276 PolarHBondContact O-N 3.46Å; M272-V276 VanDerWaalsContact O-N 3.11Å |
| 273 | Q | 91.4 | Very high | 88.9 | Confident | 91 Ų | 91 | 56.9 Ų | 56.9 | 43% | 0.425 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 175 | -73.8 | 175 | -12.4 | 0 | 0 | 112.1 | F197 L269 G270 R271 L277 | F197-Q273 HydrophobicContact CD1-CG 4.03Å; F197-Q273 HydrophobicContact CD2-CG 4.11Å; F197-Q273 HydrophobicContact CE1-CG 3.74Å; F197-Q273 HydrophobicContact CE2-CG 3.81Å; F197-Q273 HydrophobicContact CG-CG 4.22Å; F197-Q273 HydrophobicContact CZ-CB 4.41Å; F197-Q273 HydrophobicContact CZ-CG 3.62Å; L269-Q273 WeakPolarHBondContact O-CG 3.35Å; L269-Q273 PolarHBondContact O-N 3.45Å; G270-Q273 PolarHBondContact O-N 2.87Å; R271-Q273 VanDerWaalsContact C-N 3.29Å; R271-Q273 PolarHBondContact O-N 3.35Å; Q273-L277 WeakPolarHBondContact O-CG 3.2Å; Q273-L277 PolarHBondContact O-N 3.47Å |
| 274 | Y | 90.9 | Very high | 89.2 | Confident | 143 Ų | 143 | 55.3 Ų | 55.3 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.5 | -42.1 | 174.1 | -178.8 | -93.7 | 0 | 0 | 0 | 112.5 | G270 R271 M272 V276 L277 Q278 | G270-Y274 PolarHBondContact O-N 3.48Å; R271-Y274 WeakPolarHBondContact O-CB 3.27Å; R271-Y274 PolarHBondContact O-N 2.91Å; R271-Y274 VanDerWaalsContact O-N 3.11Å; M272-Y274 VanDerWaalsContact C-N 3.34Å; Y274-V276 VanDerWaalsContact C-N 3.32Å; Y274-V276 PolarHBondContact O-N 3.36Å; Y274-L277 WeakPolarHBondContact O-CB 3.28Å; Y274-L277 PolarHBondContact O-N 3.02Å; Y274-L277 VanDerWaalsContact O-N 3.11Å; Y274-Q278 HydrophobicContact CD1-CG 4.44Å; Y274-Q278 HydrophobicContact CE1-CG 3.89Å; Y274-Q278 PolarHBondContact O-N 3.45Å |
| 275 | E | 89 | Confident | 89.3 | Confident | 25 Ų | 25 | 56.9 Ų | 56.9 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -40 | 176.2 | -74.7 | -76 | 152 | 0 | 0 | 112.2 | F221 R252 I254 R271 M272 L277 Q278 F279 | F221-E275 HydrophobicContact CE2-CB 4.39Å; R252-E275 IonicContact CZ-OE1 2.86Å; R252-E275 IonicContact CZ-OE2 3.01Å; R252-E275 VanDerWaalsContact CZ-OE2 3.22Å; R252-E275 IonicContact NE-OE2 3.49Å; R252-E275 PolarHBondContact NE-OE2 3.07Å; R252-E275 IonicContact NH2-OE1 2.73Å; R252-E275 PolarHBondContact NH2-OE1 2.92Å; R252-E275 IonicContact NH2-OE2 3.25Å; R252-E275 PolarHBondContact NH2-OE2 2.75Å; I254-E275 HydrophobicContact CD1-CB 4.29Å; I254-E275 HydrophobicContact CG2-CG 4.27Å; R271-E275 PolarHBondContact O-N 3.15Å; M272-E275 PolarHBondContact O-N 3.26Å; E275-L277 VanDerWaalsContact C-N 3.31Å; E275-L277 PolarHBondContact O-N 2.9Å; E275-Q278 PolarHBondContact O-N 3.1Å; E275-F279 PolarHBondContact O-N 2.86Å |
| 276 | V | 91.6 | Very high | 89.3 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 5% | 0.048 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | M178 L193 F197 F221 M272 Y274 Q278 F279 | M178-V276 HydrophobicContact CE-CG1 3.83Å; M178-V276 HydrophobicContact CE-CG2 4.35Å; L193-V276 HydrophobicContact CD1-CG1 3.92Å; L193-V276 HydrophobicContact CD1-CG2 4.14Å; L193-V276 HydrophobicContact CD2-CG1 3.69Å; L193-V276 HydrophobicContact CG-CG1 4.47Å; F197-V276 HydrophobicContact CE2-CG2 4.22Å; F197-V276 HydrophobicContact CZ-CG2 4.23Å; F221-V276 HydrophobicContact CD2-CG2 4.42Å; F221-V276 HydrophobicContact CE2-CB 4.3Å; F221-V276 HydrophobicContact CE2-CG2 3.31Å; F221-V276 HydrophobicContact CZ-CG2 3.4Å; F221-V276 VanDerWaalsContact CZ-CG2 3.4Å; M272-V276 WeakPolarHBondContact O-CG2 3.48Å; M272-V276 PolarHBondContact O-N 3.46Å; M272-V276 VanDerWaalsContact O-N 3.11Å; Y274-V276 VanDerWaalsContact C-N 3.32Å; Y274-V276 PolarHBondContact O-N 3.36Å; V276-Q278 PolarHBondContact O-N 3.31Å; V276-F279 WeakPolarHBondContact O-CB 3.34Å; V276-F279 PolarHBondContact O-N 2.96Å |
| 277 | L | 88.7 | Confident | 89.1 | Confident | 127 Ų | 127 | 52.6 Ų | 52.6 | 67% | 0.665 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -68.1 | -20.8 | -179.2 | -65.7 | 172.1 | 0 | 0 | 0 | 113.3 | Q273 Y274 E275 | Q273-L277 WeakPolarHBondContact O-CG 3.2Å; Q273-L277 PolarHBondContact O-N 3.47Å; Y274-L277 WeakPolarHBondContact O-CB 3.28Å; Y274-L277 PolarHBondContact O-N 3.02Å; Y274-L277 VanDerWaalsContact O-N 3.11Å; E275-L277 VanDerWaalsContact C-N 3.31Å; E275-L277 PolarHBondContact O-N 2.9Å |
| 278 | Q | 88 | Confident | 89 | Confident | 59 Ų | 59 | 54.2 Ų | 54.2 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -102.5 | -13.1 | 176.2 | -56.6 | -55.6 | -19.4 | 0 | 0 | 113.9 | Y274 E275 V276 E280 N281 N282 | Y274-Q278 HydrophobicContact CD1-CG 4.44Å; Y274-Q278 HydrophobicContact CE1-CG 3.89Å; Y274-Q278 PolarHBondContact O-N 3.45Å; E275-Q278 PolarHBondContact O-N 3.1Å; V276-Q278 PolarHBondContact O-N 3.31Å; Q278-E280 PolarHBondContact O-N 3.25Å; Q278-N281 PolarHBondContact O-N 3.34Å; Q278-N281 PolarHBondContact OE1-ND2 3.49Å; Q278-N282 WeakPolarHBondContact O-CB 3.11Å; Q278-N282 PolarHBondContact O-N 3.29Å; Q278-N282 PolarHBondContact O-ND2 3.14Å; Q278-N282 PolarHBondContact O-OD1 2.95Å |
| 279 | F | 89.7 | Confident | 88.7 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -52.5 | -48.2 | -173.3 | -176 | -108 | 0 | 0 | 0 | 113.2 | M178 F221 T223 R252 E275 V276 N282 I283 | M178-F279 HydrophobicContact CB-CD1 4.25Å; M178-F279 HydrophobicContact CB-CE1 3.56Å; M178-F279 HydrophobicContact CB-CZ 4.05Å; M178-F279 HydrophobicContact CG-CD1 4.33Å; M178-F279 HydrophobicContact CG-CE1 3.89Å; M178-F279 HydrophobicContact CG-CZ 4.1Å; F221-F279 HydrophobicContact CB-CD2 4.41Å; F221-F279 HydrophobicContact CB-CE2 3.88Å; F221-F279 HydrophobicContact CB-CZ 4.31Å; F221-F279 HydrophobicContact CD2-CD2 4.07Å; F221-F279 HydrophobicContact CD2-CE2 4.38Å; T223-F279 HydrophobicContact CG2-CE1 3.83Å; T223-F279 HydrophobicContact CG2-CZ 3.76Å; R252-F279 HydrophobicContact CB-CD2 4.22Å; R252-F279 HydrophobicContact CB-CE2 3.87Å; E275-F279 PolarHBondContact O-N 2.86Å; V276-F279 WeakPolarHBondContact O-CB 3.34Å; V276-F279 PolarHBondContact O-N 2.96Å; F279-N282 PolarHBondContact O-N 3.17Å; F279-I283 HydrophobicContact CD1-CD1 4.12Å; F279-I283 HydrophobicContact CD2-CD1 4.46Å; F279-I283 HydrophobicContact CE1-CD1 3.72Å; F279-I283 HydrophobicContact CE2-CD1 4.08Å; F279-I283 HydrophobicContact CG-CD1 4.48Å; F279-I283 HydrophobicContact CZ-CD1 3.71Å; F279-I283 WeakPolarHBondContact O-CG1 3.32Å; F279-I283 PolarHBondContact O-N 2.68Å |
| 280 | E | 87.4 | Confident | 88.2 | Confident | 77 Ų | 77 | 62 Ų | 62 | 36% | 0.36 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.5 | -48.1 | -179.4 | -150.4 | -168.8 | 158.8 | 0 | 0 | 111.9 | Q278 N282 I283 Y284 I305 | Q278-E280 PolarHBondContact O-N 3.25Å; E280-N282 VanDerWaalsContact C-N 3.3Å; E280-N282 PolarHBondContact O-N 3.03Å; E280-I283 PolarHBondContact O-N 2.98Å; E280-Y284 HydrophobicContact CB-CE2 4.43Å; E280-Y284 HydrophobicContact CG-CD2 4.23Å; E280-Y284 HydrophobicContact CG-CE2 3.49Å; E280-Y284 VanDerWaalsContact CG-CE2 3.49Å; E280-Y284 WeakPolarHBondContact O-CD2 3.34Å; E280-Y284 PolarHBondContact O-N 2.86Å; E280-Y284 WeakPolarHBondContact OE1-CE2 3.41Å; E280-Y284 VanDerWaalsContact OE1-CZ 3.27Å; E280-Y284 PolarHBondContact OE1-OH 3.41Å; E280-I305 HydrophobicContact CG-CD1 4.3Å |
| 281 | N | 87.7 | Confident | 87.9 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 176.7 | -67.5 | -34.6 | 0 | 0 | 0 | 112 | Q278 I283 Y284 S285 | Q278-N281 PolarHBondContact O-N 3.34Å; Q278-N281 PolarHBondContact OE1-ND2 3.49Å; N281-I283 PolarHBondContact O-N 2.97Å; N281-Y284 PolarHBondContact O-N 2.74Å; N281-S285 WeakPolarHBondContact O-CB 3.45Å; N281-S285 PolarHBondContact O-N 2.95Å |
| 282 | N | 88.5 | Confident | 87.3 | Confident | 45 Ų | 45 | 60.1 Ų | 60.1 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | -179.7 | -70.9 | -12.7 | 0 | 0 | 0 | 111 | Q278 F279 E280 S285 Y286 Y1557 | Q278-N282 WeakPolarHBondContact O-CB 3.11Å; Q278-N282 PolarHBondContact O-N 3.29Å; Q278-N282 PolarHBondContact O-ND2 3.14Å; Q278-N282 PolarHBondContact O-OD1 2.95Å; F279-N282 PolarHBondContact O-N 3.17Å; E280-N282 VanDerWaalsContact C-N 3.3Å; E280-N282 PolarHBondContact O-N 3.03Å; N282-S285 PolarHBondContact O-N 3.02Å; N282-S285 PolarHBondContact O-OG 2.86Å; N282-Y286 PolarHBondContact O-N 3.21Å; N282-Y286 VanDerWaalsContact O-N 3.09Å; N282-Y1557 HydrophobicContact CB-CE2 4.2Å |
| 283 | I | 89.8 | Confident | 86.4 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.3 | -43.3 | 179.5 | -60.3 | 165 | 0 | 0 | 0 | 111.3 | T223 I225 F250 F279 E280 N281 S285 Y286 L287 Y1557 | T223-I283 HydrophobicContact CG2-CD1 4.09Å; I225-I283 HydrophobicContact CD1-CB 4.31Å; I225-I283 HydrophobicContact CD1-CD1 4.26Å; I225-I283 HydrophobicContact CD1-CG2 3.48Å; I225-I283 VanDerWaalsContact CD1-CG2 3.48Å; F250-I283 HydrophobicContact CB-CD1 4.14Å; F250-I283 HydrophobicContact CD1-CD1 4.47Å; F250-I283 HydrophobicContact CD1-CG1 4.08Å; F250-I283 HydrophobicContact CD1-CG2 3.86Å; F250-I283 HydrophobicContact CD2-CG2 4.01Å; F250-I283 HydrophobicContact CE1-CG2 3.62Å; F250-I283 HydrophobicContact CE2-CG2 3.76Å; F250-I283 HydrophobicContact CG-CD1 4.16Å; F250-I283 HydrophobicContact CG-CG1 4.27Å; F250-I283 HydrophobicContact CG-CG2 4.07Å; F250-I283 HydrophobicContact CZ-CG2 3.57Å; F279-I283 HydrophobicContact CD1-CD1 4.12Å; F279-I283 HydrophobicContact CD2-CD1 4.46Å; F279-I283 HydrophobicContact CE1-CD1 3.72Å; F279-I283 HydrophobicContact CE2-CD1 4.08Å; F279-I283 HydrophobicContact CG-CD1 4.48Å; F279-I283 HydrophobicContact CZ-CD1 3.71Å; F279-I283 WeakPolarHBondContact O-CG1 3.32Å; F279-I283 PolarHBondContact O-N 2.68Å; E280-I283 PolarHBondContact O-N 2.98Å; N281-I283 PolarHBondContact O-N 2.97Å; I283-S285 VanDerWaalsContact C-N 3.27Å; I283-S285 PolarHBondContact O-N 2.92Å; I283-Y286 PolarHBondContact O-N 2.91Å; I283-L287 HydrophobicContact CG2-CD1 4.03Å; I283-L287 HydrophobicContact CG2-CG 4.37Å; I283-L287 PolarHBondContact O-N 2.91Å; I283-Y1557 HydrophobicContact CB-CE2 4.47Å; I283-Y1557 HydrophobicContact CG1-CE2 3.59Å; I283-Y1557 WeakPolarHBondContact CG1-OH 3.46Å |
| 284 | Y | 85.9 | Confident | 85.3 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -36 | 173.8 | -65.7 | -37.5 | 0 | 0 | 0 | 112.8 | E280 N281 R288 L303 | E280-Y284 HydrophobicContact CB-CE2 4.43Å; E280-Y284 HydrophobicContact CG-CD2 4.23Å; E280-Y284 HydrophobicContact CG-CE2 3.49Å; E280-Y284 VanDerWaalsContact CG-CE2 3.49Å; E280-Y284 WeakPolarHBondContact O-CD2 3.34Å; E280-Y284 PolarHBondContact O-N 2.86Å; E280-Y284 WeakPolarHBondContact OE1-CE2 3.41Å; E280-Y284 VanDerWaalsContact OE1-CZ 3.27Å; E280-Y284 PolarHBondContact OE1-OH 3.41Å; N281-Y284 PolarHBondContact O-N 2.74Å; Y284-R288 VanDerWaalsContact O-CB 3.24Å; Y284-R288 WeakPolarHBondContact O-CB 3.46Å; Y284-R288 PolarHBondContact O-N 2.9Å; Y284-L303 HydrophobicContact CD1-CD1 3.56Å; Y284-L303 HydrophobicContact CE1-CB 3.86Å; Y284-L303 HydrophobicContact CE1-CD1 3.74Å; Y284-L303 HydrophobicContact CE1-CG 4.45Å |
| 285 | S | 86.4 | Confident | 83.8 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 175.9 | 81.2 | 0 | 0 | 0 | 0 | 112 | N281 N282 I283 N289 | N281-S285 WeakPolarHBondContact O-CB 3.45Å; N281-S285 PolarHBondContact O-N 2.95Å; N282-S285 PolarHBondContact O-N 3.02Å; N282-S285 PolarHBondContact O-OG 2.86Å; I283-S285 VanDerWaalsContact C-N 3.27Å; I283-S285 PolarHBondContact O-N 2.92Å; S285-N289 WeakPolarHBondContact O-CB 3.21Å; S285-N289 PolarHBondContact O-N 3.21Å; S285-N289 PolarHBondContact O-ND2 3.02Å; S285-N289 PolarHBondContact O-OD1 3.44Å |
| 286 | Y | 88.7 | Confident | 82.1 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -49.9 | 175.2 | 163 | -94.7 | 0 | 0 | 0 | 111.7 | E248 F250 N282 I283 R288 N289 T290 A1548 Y1557 | E248-Y286 WeakPolarHBondContact OE1-CE1 3.19Å; E248-Y286 PolarHBondContact OE1-OH 2.6Å; F250-Y286 AromaticContact CE1-CD1 3.53Å; F250-Y286 HydrophobicContact CE1-CD1 3.53Å; F250-Y286 AromaticContact CE1-CE1 3.55Å; F250-Y286 HydrophobicContact CE1-CE1 3.55Å; F250-Y286 AromaticContact CZ-CD1 3.95Å; F250-Y286 HydrophobicContact CZ-CD1 3.95Å; F250-Y286 AromaticContact CZ-CE1 3.84Å; F250-Y286 HydrophobicContact CZ-CE1 3.84Å; N282-Y286 PolarHBondContact O-N 3.21Å; N282-Y286 VanDerWaalsContact O-N 3.09Å; I283-Y286 PolarHBondContact O-N 2.91Å; Y286-R288 VanDerWaalsContact C-N 3.32Å; Y286-R288 PolarHBondContact O-N 2.82Å; Y286-N289 PolarHBondContact O-N 2.63Å; Y286-T290 WeakPolarHBondContact CD2-OG1 3.29Å; Y286-T290 WeakPolarHBondContact CE2-OG1 3.42Å; Y286-T290 VanDerWaalsContact O-CB 3.31Å; Y286-T290 WeakPolarHBondContact O-CB 3.4Å; Y286-T290 PolarHBondContact O-N 3.44Å; Y286-T290 PolarHBondContact O-OG1 2.73Å; Y286-A1548 HydrophobicContact CE1-CB 4.32Å; Y286-Y1557 HydrophobicContact CG-CD2 4.45Å |
| 287 | L | 86.4 | Confident | 80.2 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | -179.8 | -74.7 | 172.1 | 0 | 0 | 0 | 111.6 | I227 F238 E248 F250 I283 Y291 L303 | I227-L287 HydrophobicContact CD1-CD2 4.37Å; F238-L287 HydrophobicContact CE1-CD2 4.46Å; E248-L287 VanDerWaalsContact OE2-CD2 3.31Å; E248-L287 WeakPolarHBondContact OE2-CD2 3.5Å; F250-L287 HydrophobicContact CZ-CD1 4.42Å; F250-L287 HydrophobicContact CZ-CD2 4.06Å; F250-L287 HydrophobicContact CZ-CG 4.17Å; I283-L287 HydrophobicContact CG2-CD1 4.03Å; I283-L287 HydrophobicContact CG2-CG 4.37Å; I283-L287 PolarHBondContact O-N 2.91Å; L287-Y291 HydrophobicContact CD2-CD2 3.95Å; L287-Y291 HydrophobicContact CD2-CE2 3.99Å; L287-Y291 WeakPolarHBondContact O-CB 3.46Å; L287-Y291 PolarHBondContact O-N 2.83Å; L287-L303 HydrophobicContact CD1-CD1 3.83Å; L287-L303 HydrophobicContact CD1-CD2 4.09Å |
| 288 | R | 83.4 | Confident | 78.2 | Confident | 160 Ų | 160 | 64.7 Ų | 64.7 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.7 | -37.9 | 177.2 | -177.7 | 176.3 | -177.5 | 173.8 | 2.5 | 113.2 | Y284 Y286 | Y284-R288 VanDerWaalsContact O-CB 3.24Å; Y284-R288 WeakPolarHBondContact O-CB 3.46Å; Y284-R288 PolarHBondContact O-N 2.9Å; Y286-R288 VanDerWaalsContact C-N 3.32Å; Y286-R288 PolarHBondContact O-N 2.82Å |
| 289 | N | 84.4 | Confident | 76.5 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 66% | 0.658 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -79.2 | -37.9 | -178.2 | -68.2 | -12.8 | 0 | 0 | 0 | 112 | S285 Y286 | S285-N289 WeakPolarHBondContact O-CB 3.21Å; S285-N289 PolarHBondContact O-N 3.21Å; S285-N289 PolarHBondContact O-ND2 3.02Å; S285-N289 PolarHBondContact O-OD1 3.44Å; Y286-N289 PolarHBondContact O-N 2.63Å |
| 290 | T | 82.6 | Confident | 74.8 | Confident | 63 Ų | 63 | 77 Ų | 77 | 39% | 0.387 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -78.9 | -34.7 | -178.2 | -49.6 | 0 | 0 | 0 | 0 | 112 | Y286 | Y286-T290 WeakPolarHBondContact CD2-OG1 3.29Å; Y286-T290 WeakPolarHBondContact CE2-OG1 3.42Å; Y286-T290 VanDerWaalsContact O-CB 3.31Å; Y286-T290 WeakPolarHBondContact O-CB 3.4Å; Y286-T290 PolarHBondContact O-N 3.44Å; Y286-T290 PolarHBondContact O-OG1 2.73Å |
| 291 | Y | 83.8 | Confident | 73.6 | Confident | 21 Ų | 21 | 75 Ų | 75 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | trans | -127.7 | 67 | -175.6 | -50.9 | -70.2 | 0 | 0 | 0 | 112.7 | Y234 F238 L287 L293 I294 | Y234-Y291 HydrophobicContact CD1-CD1 4.15Å; Y234-Y291 HydrophobicContact CD2-CD1 4.22Å; Y234-Y291 HydrophobicContact CE1-CD1 4.3Å; Y234-Y291 HydrophobicContact CE2-CD1 4.38Å; Y234-Y291 HydrophobicContact CG-CD1 4.11Å; F238-Y291 HydrophobicContact CE1-CD2 4.11Å; F238-Y291 AromaticContact CE1-CE2 3.57Å; F238-Y291 HydrophobicContact CE1-CE2 3.57Å; F238-Y291 AromaticContact CE1-CZ 3.8Å; F238-Y291 HydrophobicContact CZ-CD1 4.11Å; F238-Y291 AromaticContact CZ-CD2 3.59Å; F238-Y291 HydrophobicContact CZ-CD2 3.59Å; F238-Y291 HydrophobicContact CZ-CE1 4.03Å; F238-Y291 AromaticContact CZ-CE2 3.48Å; F238-Y291 HydrophobicContact CZ-CE2 3.48Å; F238-Y291 VanDerWaalsContact CZ-CE2 3.48Å; F238-Y291 AromaticContact CZ-CG 3.89Å; F238-Y291 HydrophobicContact CZ-CG 3.89Å; F238-Y291 AromaticContact CZ-CZ 3.71Å; L287-Y291 HydrophobicContact CD2-CD2 3.95Å; L287-Y291 HydrophobicContact CD2-CE2 3.99Å; L287-Y291 WeakPolarHBondContact O-CB 3.46Å; L287-Y291 PolarHBondContact O-N 2.83Å; Y291-L293 PolarHBondContact O-N 2.7Å; Y291-I294 HydrophobicContact CD2-CD1 4.33Å; Y291-I294 HydrophobicContact CG-CD1 4.12Å; Y291-I294 WeakPolarHBondContact O-CB 3.45Å; Y291-I294 PolarHBondContact O-N 2.9Å; Y291-I294 VanDerWaalsContact O-N 3.09Å | ||
| 292 | P | 77 | Confident | 72.8 | Confident | 70 Ų | 70 | 76.2 Ų | 76.2 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -60 | -21 | -167.9 | -26.7 | 36.2 | 0 | 0 | 0 | 116.1 | ||
| 293 | L | 72.1 | Confident | 72.5 | Confident | 43 Ų | 43 | 75.9 Ų | 75.9 | 23% | 0.225 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -75.2 | -25.5 | -178.8 | -52.3 | 176.4 | 0 | 0 | 0 | 112.6 | E233 Y234 Y291 N295 K296 | E233-L293 WeakPolarHBondContact OE2-CD1 3.24Å; Y234-L293 HydrophobicContact CE2-CB 3.79Å; Y234-L293 HydrophobicContact CE2-CD1 4.26Å; Y234-L293 HydrophobicContact CE2-CG 4.16Å; Y234-L293 WeakPolarHBondContact OH-CG 3.39Å; Y291-L293 PolarHBondContact O-N 2.7Å; L293-N295 PolarHBondContact O-N 3.08Å; L293-N295 VanDerWaalsContact O-N 3.09Å; L293-K296 HydrophobicContact CD2-CD 3.69Å; L293-K296 PolarHBondContact O-N 3.25Å; L293-K296 VanDerWaalsContact O-N 3.08Å |
| 294 | I | 69.1 | Low | 72.4 | Confident | 12 Ų | 12 | 77.9 Ų | 77.9 | 6% | 0.062 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -55.6 | -30 | 174.8 | -64.3 | -174.6 | 0 | 0 | 0 | 111.1 | P231 Y234 F238 Y291 T301 | P231-I294 HydrophobicContact CG-CG1 4.4Å; Y234-I294 HydrophobicContact CD2-CG1 4.14Å; Y234-I294 HydrophobicContact CE2-CG1 4.36Å; F238-I294 HydrophobicContact CE2-CD1 4.08Å; F238-I294 HydrophobicContact CZ-CD1 3.88Å; Y291-I294 HydrophobicContact CD2-CD1 4.33Å; Y291-I294 HydrophobicContact CG-CD1 4.12Å; Y291-I294 WeakPolarHBondContact O-CB 3.45Å; Y291-I294 PolarHBondContact O-N 2.9Å; Y291-I294 VanDerWaalsContact O-N 3.09Å; I294-T301 HydrophobicContact CG2-CG2 3.82Å; I294-T301 WeakPolarHBondContact O-CB 3.39Å; I294-T301 PolarHBondContact O-OG1 3.46Å |
| 295 | N | 58.9 | Low | 72.6 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 43% | 0.433 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -98.2 | -0.7 | -176.9 | -128.7 | -53.1 | 0 | 0 | 0 | 114.6 | L293 | L293-N295 PolarHBondContact O-N 3.08Å; L293-N295 VanDerWaalsContact O-N 3.09Å |
| 296 | K | 54.5 | Low | 72.9 | Confident | 149 Ų | 149 | 73.1 Ų | 73.1 | 65% | 0.648 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -30.7 | 176 | -73 | -174 | 179.9 | 173 | 0 | 112.4 | L293 S298 | L293-K296 HydrophobicContact CD2-CD 3.69Å; L293-K296 PolarHBondContact O-N 3.25Å; L293-K296 VanDerWaalsContact O-N 3.08Å; K296-S298 VanDerWaalsContact C-N 3.29Å; K296-S298 PolarHBondContact O-N 3.49Å |
| 297 | N | 51.8 | Low | 73.2 | Confident | 119 Ų | 119 | 74.5 Ų | 74.5 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -89.1 | 61.8 | 174.5 | -68.1 | -15.9 | 0 | 0 | 0 | 110.7 | N299 K300 | N297-N299 PolarHBondContact O-N 3.48Å; N297-K300 PolarHBondContact O-N 3.02Å |
| 298 | S | 46.6 | Very low | 73.5 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 62% | 0.615 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 29.5 | -160.8 | 75.4 | 0 | 0 | 0 | 0 | 117.3 | K296 | K296-S298 VanDerWaalsContact C-N 3.29Å; K296-S298 PolarHBondContact O-N 3.49Å |
| 299 | N | 52.1 | Low | 73.9 | Confident | 163 Ų | 163 | 70.4 Ų | 70.4 | 87% | 0.872 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.2 | 4 | 178 | -85.8 | -39.8 | 0 | 0 | 0 | 114.2 | N297 | N297-N299 PolarHBondContact O-N 3.48Š|
| 300 | K | 54 | Low | 74.2 | Confident | 157 Ų | 157 | 65.5 Ų | 65.5 | 68% | 0.683 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | -48.5 | -177.7 | -87 | -165.3 | 169.3 | -165.7 | 0 | 116.2 | N297 K302 | N297-K300 PolarHBondContact O-N 3.02Å; K300-K302 PolarHBondContact O-N 3.11Å |
| 301 | T | 61.4 | Low | 74.6 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | trans | -60.4 | 103.4 | -173.6 | 4.2 | 0 | 0 | 0 | 0 | 110.9 | D228 D229 I294 | D228-T301 WeakPolarHBondContact O-CG2 3.5Å; D229-T301 HydrophobicContact CB-CG2 4.21Å; D229-T301 WeakPolarHBondContact O-CG2 3.22Å; I294-T301 HydrophobicContact CG2-CG2 3.82Å; I294-T301 WeakPolarHBondContact O-CB 3.39Å; I294-T301 PolarHBondContact O-OG1 3.46Å | ||
| 302 | K | 71.7 | Confident | 75 | Confident | 116 Ų | 116 | 61.6 Ų | 61.6 | 50% | 0.504 | 32% | 0.322 | S | S | . | . | trans | -109.3 | 114.6 | -170.8 | 174.5 | 170.9 | 157 | -68.4 | 0 | 109.6 | D228 K300 N304 | D228-K302 HydrophobicContact CB-CB 4.13Å; D228-K302 VanDerWaalsContact CB-O 3.31Å; D228-K302 WeakPolarHBondContact CB-O 3.22Å; D228-K302 VanDerWaalsContact CG-O 3.23Å; D228-K302 PolarHBondContact N-O 3.21Å; D228-K302 VanDerWaalsContact N-O 3.08Å; D228-K302 WeakPolarHBondContact OD2-CB 3.38Å; D228-K302 WeakPolarHBondContact OD2-CG 3.35Å; D228-K302 IonicContact OD2-NZ 2.78Å; D228-K302 PolarHBondContact OD2-NZ 3Å; K300-K302 PolarHBondContact O-N 3.11Å; K302-N304 WeakPolarHBondContact CE-OD1 3.38Å; K302-N304 PolarHBondContact NZ-ND2 3.28Å; K302-N304 PolarHBondContact NZ-OD1 3.42Å; K302-N304 PolarHBondContact O-ND2 2.99Å | ||
| 303 | L | 81.6 | Confident | 75.9 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.1 | 177.5 | -62 | 173.6 | 0 | 0 | 0 | 108.9 | I225 I227 Y284 L287 | I225-L303 HydrophobicContact CG2-CB 4.33Å; I225-L303 HydrophobicContact CG2-CD2 4.42Å; I227-L303 HydrophobicContact CB-CD2 4.17Å; I227-L303 HydrophobicContact CD1-CD2 4.33Å; I227-L303 HydrophobicContact CG1-CD2 3.77Å; I227-L303 HydrophobicContact CG2-CD2 3.85Å; Y284-L303 HydrophobicContact CD1-CD1 3.56Å; Y284-L303 HydrophobicContact CE1-CB 3.86Å; Y284-L303 HydrophobicContact CE1-CD1 3.74Å; Y284-L303 HydrophobicContact CE1-CG 4.45Å; L287-L303 HydrophobicContact CD1-CD1 3.83Å; L287-L303 HydrophobicContact CD1-CD2 4.09Å |
| 304 | N | 87.1 | Confident | 77 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120 | -176.4 | -56.9 | -68.3 | 0 | 0 | 0 | 110.8 | I225 Y226 D228 K302 | I225-N304 WeakPolarHBondContact CA-O 3.49Å; Y226-N304 PolarHBondContact N-O 3.24Å; Y226-N304 PolarHBondContact O-N 3.4Å; D228-N304 PolarHBondContact OD1-ND2 3.38Å; D228-N304 PolarHBondContact OD2-ND2 2.99Å; K302-N304 WeakPolarHBondContact CE-OD1 3.38Å; K302-N304 PolarHBondContact NZ-ND2 3.28Å; K302-N304 PolarHBondContact NZ-OD1 3.42Å; K302-N304 PolarHBondContact O-ND2 2.99Å |
| 305 | I | 91.1 | Very high | 78.2 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 136.3 | 165.2 | -57.7 | 177.1 | 0 | 0 | 0 | 108.5 | M178 W183 E280 | M178-I305 VanDerWaalsContact O-CG2 3.31Å; M178-I305 WeakPolarHBondContact O-CG2 3.22Å; W183-I305 HydrophobicContact CH2-CD1 3.98Å; W183-I305 HydrophobicContact CZ3-CD1 3.91Å; E280-I305 HydrophobicContact CG-CD1 4.3Å |
| 306 | C | 93.4 | Very high | 79.9 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 157.5 | 179.8 | 73.8 | 0 | 0 | 0 | 0 | 113 | S179 Q180 R224 Y226 D310 | S179-C306 WeakPolarHBondContact CA-O 3.31Å; S179-C306 VanDerWaalsContact CB-O 3.3Å; S179-C306 WeakPolarHBondContact CB-O 3.44Å; Q180-C306 PolarHBondContact N-O 2.9Å; R224-C306 HydrophobicContact CB-CB 4.02Å; R224-C306 HydrophobicContact CG-CB 4.39Å; R224-C306 VanDerWaalsContact O-CB 3.26Å; R224-C306 WeakPolarHBondContact O-CB 3.48Å; R224-C306 PolarHBondContact O-N 2.96Å; Y226-C306 HydrophobicContact CD2-CB 4.2Å; Y226-C306 HydrophobicContact CE2-CB 3.73Å; C306-D310 HydrophobicContact CB-CB 4.47Å |
| 307 | T | 94.2 | Very high | 81.8 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 28% | 0.282 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -71 | 166.3 | 162 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | E181 M309 D310 | E181-T307 WeakPolarHBondContact OE1-CA 3.4Å; E181-T307 WeakPolarHBondContact OE1-CB 3.41Å; T307-M309 PolarHBondContact O-N 3.2Å; T307-D310 PolarHBondContact O-N 3Å |
| 308 | A | 93.1 | Very high | 83.7 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -66 | -25.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q177 E181 P345 Y350 | Q177-A308 VanDerWaalsContact NE2-CA 3.27Å; Q177-A308 PolarHBondContact NE2-O 3.43Å; E181-A308 PolarHBondContact OE1-N 3.42Å; E181-A308 WeakPolarHBondContact OE2-CB 3.37Å; E181-A308 PolarHBondContact OE2-N 2.91Å; A308-P345 HydrophobicContact CB-CG 4.49Å; A308-Y350 WeakPolarHBondContact O-CD1 3.21Å; A308-Y350 VanDerWaalsContact O-CE1 3.3Å; A308-Y350 WeakPolarHBondContact O-CE1 3.45Å |
| 309 | M | 92.1 | Very high | 85.8 | Confident | 75 Ų | 75 | 36.3 Ų | 36.3 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -78.3 | -30.2 | -178.3 | -166.3 | -177.4 | -55 | 0 | 0 | 113.1 | T307 V349 Y350 H351 | T307-M309 PolarHBondContact O-N 3.2Å; M309-V349 WeakPolarHBondContact CA-O 3.36Å; M309-V349 HydrophobicContact CG-CG1 4.29Å; M309-V349 HydrophobicContact SD-CG1 4.39Å; M309-Y350 CarbonylContact O-C 3.59Å; M309-Y350 WeakPolarHBondContact O-CA 3.13Å; M309-H351 PolarHBondContact O-N 2.78Å; M309-H351 PolarHBondContact SD-CE1 3Å |
| 310 | D | 91.2 | Very high | 87.7 | Confident | 19 Ų | 19 | 28.6 Ų | 28.6 | 10% | 0.102 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -95.8 | 10 | -174.5 | -78.6 | 10.6 | 0 | 0 | 0 | 113.3 | Y226 R245 C306 T307 H351 | Y226-D310 HydrophobicContact CE2-CB 4.2Å; Y226-D310 PolarHBondContact OH-O 2.94Å; R245-D310 IonicContact CZ-OD2 3.84Å; R245-D310 VanDerWaalsContact CZ-OD2 3.27Å; R245-D310 IonicContact NH1-OD2 3.81Å; R245-D310 PolarHBondContact NH1-OD2 2.93Å; R245-D310 IonicContact NH2-OD2 3.22Å; R245-D310 PolarHBondContact NH2-OD2 2.68Å; C306-D310 HydrophobicContact CB-CB 4.47Å; T307-D310 PolarHBondContact O-N 3Å; D310-H351 IonicContact OD1-CE1 2.7Å; D310-H351 IonicContact OD1-CG 2.73Å; D310-H351 IonicContact OD1-ND1 2.66Å; D310-H351 PolarHBondContact OD1-ND1 2.64Å |
| 311 | A | 89.5 | Confident | 89.3 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 3% | 0.025 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -82.5 | 153.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q177 L313 | Q177-A311 HydrophobicContact CG-CB 4.38Å; A311-L313 PolarHBondContact O-N 2.87Å |
| 312 | N | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -71.6 | 44.5 | -177.3 | 56.2 | -31 | 0 | 0 | 0 | 114.9 | F222 Y251 L314 E315 V316 Y1545 | F222-N312 WeakPolarHBondContact CD2-OD1 3.35Å; Y251-N312 PolarHBondContact OH-ND2 3.3Å; N312-L314 PolarHBondContact O-N 2.74Å; N312-E315 VanDerWaalsContact CA-OE2 3.25Å; N312-E315 WeakPolarHBondContact CA-OE2 3.38Å; N312-E315 HydrophobicContact CB-CB 4.23Å; N312-E315 HydrophobicContact CB-CG 4.39Å; N312-E315 WeakPolarHBondContact CB-OE1 3.46Å; N312-E315 PolarHBondContact O-N 3.13Å; N312-V316 WeakPolarHBondContact O-CG2 3.41Å; N312-V316 PolarHBondContact O-N 2.83Å; N312-Y1545 PolarHBondContact ND2-OH 2.86Å | ||
| 313 | L | 94.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | -175.2 | 176.8 | 65.4 | 0 | 0 | 0 | 112.7 | A311 E315 V316 L317 V342 Y350 F387 | A311-L313 PolarHBondContact O-N 2.87Å; L313-E315 VanDerWaalsContact C-N 3.28Å; L313-E315 PolarHBondContact O-N 2.83Å; L313-V316 WeakPolarHBondContact O-CB 3.21Å; L313-V316 PolarHBondContact O-N 3.1Å; L313-L317 HydrophobicContact CD1-CG 4.36Å; L313-L317 HydrophobicContact CG-CD1 4.31Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.26Å; L313-L317 PolarHBondContact O-N 3.32Å; L313-V342 HydrophobicContact CD1-CG1 4Å; L313-V342 HydrophobicContact CD1-CG2 4.32Å; L313-Y350 HydrophobicContact CB-CD1 4.07Å; L313-Y350 HydrophobicContact CB-CE1 4.15Å; L313-Y350 HydrophobicContact CD2-CD1 3.98Å; L313-Y350 HydrophobicContact CD2-CD2 3.73Å; L313-Y350 HydrophobicContact CD2-CE1 3.88Å; L313-Y350 HydrophobicContact CD2-CE2 3.64Å; L313-Y350 HydrophobicContact CD2-CG 3.9Å; L313-F387 HydrophobicContact CD2-CE1 3.86Å; L313-F387 HydrophobicContact CD2-CZ 4.04Å |
| 314 | L | 94.7 | Very high | 91.2 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.7 | -31.3 | -176.6 | -65.6 | -172.5 | 0 | 0 | 0 | 111.5 | N312 L317 N318 V352 L356 L357 T360 F387 W405 | N312-L314 PolarHBondContact O-N 2.74Å; L314-L317 HydrophobicContact CD2-CD1 4.18Å; L314-L317 PolarHBondContact O-N 3.4Å; L314-N318 WeakPolarHBondContact O-CB 3.29Å; L314-N318 PolarHBondContact O-N 3.43Å; L314-N318 PolarHBondContact O-ND2 3.27Å; L314-V352 HydrophobicContact CD1-CB 3.73Å; L314-V352 HydrophobicContact CD1-CG1 3.66Å; L314-V352 HydrophobicContact CG-CG1 3.93Å; L314-L356 HydrophobicContact CB-CD2 3.57Å; L314-L356 HydrophobicContact CB-CG 3.82Å; L314-L356 HydrophobicContact CD1-CB 4.43Å; L314-L356 HydrophobicContact CD1-CD2 4.28Å; L314-L356 HydrophobicContact CD1-CG 4.14Å; L314-L357 HydrophobicContact CD1-CB 3.98Å; L314-L357 HydrophobicContact CD1-CD1 4.43Å; L314-T360 HydrophobicContact CD2-CG2 4.28Å; L314-F387 HydrophobicContact CD2-CE2 3.71Å; L314-F387 HydrophobicContact CD2-CZ 3.83Å; L314-W405 HydrophobicContact CD2-CH2 4.29Å |
| 315 | E | 94.8 | Very high | 90.7 | Very high | 24 Ų | 24 | 13.6 Ų | 13.6 | 11% | 0.112 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.3 | -44.6 | 175.8 | -52.3 | 93.5 | 120.2 | 0 | 0 | 110.7 | R224 N312 L313 L317 N318 M319 L356 Y1545 F1564 | R224-E315 IonicContact CZ-OE1 3.97Å; R224-E315 IonicContact NH1-OE1 3.56Å; R224-E315 IonicContact NH2-OE1 3.23Å; R224-E315 PolarHBondContact NH2-OE1 2.88Å; N312-E315 VanDerWaalsContact CA-OE2 3.25Å; N312-E315 WeakPolarHBondContact CA-OE2 3.38Å; N312-E315 HydrophobicContact CB-CB 4.23Å; N312-E315 HydrophobicContact CB-CG 4.39Å; N312-E315 WeakPolarHBondContact CB-OE1 3.46Å; N312-E315 PolarHBondContact O-N 3.13Å; L313-E315 VanDerWaalsContact C-N 3.28Å; L313-E315 PolarHBondContact O-N 2.83Å; E315-L317 VanDerWaalsContact C-N 3.34Å; E315-L317 PolarHBondContact O-N 2.7Å; E315-N318 PolarHBondContact O-N 3.38Å; E315-M319 WeakPolarHBondContact O-CG 3.48Å; E315-M319 PolarHBondContact O-N 3.08Å; E315-L356 HydrophobicContact CG-CD2 3.79Å; E315-Y1545 HydrophobicContact CB-CD2 4.08Å; E315-Y1545 HydrophobicContact CB-CE1 4.11Å; E315-Y1545 HydrophobicContact CB-CE2 3.54Å; E315-Y1545 HydrophobicContact CG-CD2 3.88Å; E315-Y1545 HydrophobicContact CG-CE2 3.48Å; E315-Y1545 VanDerWaalsContact CG-CE2 3.48Å; E315-F1564 HydrophobicContact CB-CE2 4.33Å |
| 316 | V | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -53.8 | -49.4 | 168.8 | 171.1 | 0 | 0 | 0 | 0 | 111 | F175 F222 Y251 N312 L313 N318 M319 A320 | F175-V316 HydrophobicContact CB-CG1 3.92Å; F175-V316 HydrophobicContact CD1-CG1 3.47Å; F175-V316 VanDerWaalsContact CD1-CG1 3.47Å; F175-V316 HydrophobicContact CD2-CG1 3.9Å; F175-V316 HydrophobicContact CE1-CG1 3.85Å; F175-V316 HydrophobicContact CE2-CG1 4.24Å; F175-V316 HydrophobicContact CG-CG1 3.48Å; F175-V316 VanDerWaalsContact CG-CG1 3.48Å; F175-V316 HydrophobicContact CZ-CG1 4.22Å; F222-V316 HydrophobicContact CB-CG2 4.23Å; F222-V316 HydrophobicContact CD1-CG2 4.14Å; F222-V316 HydrophobicContact CD2-CG2 3.45Å; F222-V316 VanDerWaalsContact CD2-CG2 3.45Å; F222-V316 HydrophobicContact CE1-CG2 4.33Å; F222-V316 HydrophobicContact CE2-CG2 3.68Å; F222-V316 HydrophobicContact CG-CG2 3.69Å; F222-V316 HydrophobicContact CZ-CG2 4.1Å; Y251-V316 HydrophobicContact CE1-CG2 3.78Å; N312-V316 WeakPolarHBondContact O-CG2 3.41Å; N312-V316 PolarHBondContact O-N 2.83Å; L313-V316 WeakPolarHBondContact O-CB 3.21Å; L313-V316 PolarHBondContact O-N 3.1Å; V316-N318 PolarHBondContact O-N 3.25Å; V316-M319 PolarHBondContact O-N 3.4Å; V316-A320 PolarHBondContact O-N 2.79Å; V316-A320 VanDerWaalsContact O-N 3.11Å |
| 317 | L | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 178.8 | -66.3 | 176.2 | 0 | 0 | 0 | 111.3 | L313 L314 E315 A320 I321 L340 V342 T360 V371 W405 I406 | L313-L317 HydrophobicContact CD1-CG 4.36Å; L313-L317 HydrophobicContact CG-CD1 4.31Å; L313-L317 VanDerWaalsContact O-CG 3.28Å; L313-L317 WeakPolarHBondContact O-CG 3.26Å; L313-L317 PolarHBondContact O-N 3.32Å; L314-L317 HydrophobicContact CD2-CD1 4.18Å; L314-L317 PolarHBondContact O-N 3.4Å; E315-L317 VanDerWaalsContact C-N 3.34Å; E315-L317 PolarHBondContact O-N 2.7Å; L317-A320 PolarHBondContact O-N 3.1Å; L317-I321 WeakPolarHBondContact O-CB 3.3Å; L317-I321 WeakPolarHBondContact O-CD1 3.47Å; L317-I321 WeakPolarHBondContact O-CG1 3.39Å; L317-I321 PolarHBondContact O-N 2.81Å; L317-L340 HydrophobicContact CB-CD2 4.47Å; L317-L340 HydrophobicContact CD2-CD2 3.44Å; L317-L340 VanDerWaalsContact CD2-CD2 3.44Å; L317-L340 HydrophobicContact CD2-CG 3.85Å; L317-V342 HydrophobicContact CD2-CG2 4.31Å; L317-T360 HydrophobicContact CB-CG2 4.17Å; L317-T360 HydrophobicContact CD1-CG2 4.25Å; L317-V371 HydrophobicContact CD2-CG1 3.68Å; L317-V371 HydrophobicContact CD2-CG2 4.49Å; L317-W405 HydrophobicContact CD1-CH2 3.98Å; L317-W405 HydrophobicContact CD1-CZ3 3.9Å; L317-I406 HydrophobicContact CD1-CD1 4.46Å |
| 318 | N | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.2 | -36.7 | 179.2 | -82.8 | -77 | 0 | 0 | 0 | 113.6 | L314 E315 V316 A320 I321 N322 T360 R363 F1564 | L314-N318 WeakPolarHBondContact O-CB 3.29Å; L314-N318 PolarHBondContact O-N 3.43Å; L314-N318 PolarHBondContact O-ND2 3.27Å; E315-N318 PolarHBondContact O-N 3.38Å; V316-N318 PolarHBondContact O-N 3.25Å; N318-A320 VanDerWaalsContact C-N 3.33Å; N318-A320 PolarHBondContact O-N 3.17Å; N318-I321 PolarHBondContact O-N 3.33Å; N318-N322 PolarHBondContact O-N 2.98Å; N318-N322 PolarHBondContact O-OD1 3.46Å; N318-T360 PolarHBondContact ND2-OG1 2.82Å; N318-R363 PolarHBondContact O-NH1 2.79Å; N318-R363 PolarHBondContact OD1-NH1 3.23Å; N318-F1564 HydrophobicContact CB-CB 4.41Å; N318-F1564 HydrophobicContact CB-CD1 3.6Å; N318-F1564 HydrophobicContact CB-CD2 3.72Å; N318-F1564 HydrophobicContact CB-CE1 3.63Å; N318-F1564 HydrophobicContact CB-CE2 3.75Å; N318-F1564 HydrophobicContact CB-CG 3.65Å; N318-F1564 HydrophobicContact CB-CZ 3.7Å |
| 319 | M | 90.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | 172.2 | -67.4 | -155.5 | -46 | 0 | 0 | 112.1 | Y251 E315 V316 N322 L323 Y1545 Y1547 T1562 F1564 P2344 L2345 | Y251-M319 HydrophobicContact CD1-CE 3.64Å; Y251-M319 HydrophobicContact CD2-CE 4.02Å; Y251-M319 HydrophobicContact CE1-CE 3.25Å; Y251-M319 HydrophobicContact CE2-CE 3.68Å; Y251-M319 HydrophobicContact CG-CE 3.99Å; E315-M319 WeakPolarHBondContact O-CG 3.48Å; E315-M319 PolarHBondContact O-N 3.08Å; V316-M319 PolarHBondContact O-N 3.4Å; M319-N322 WeakPolarHBondContact O-CB 3.23Å; M319-N322 PolarHBondContact O-N 3.23Å; M319-L323 PolarHBondContact O-N 3.14Å; M319-Y1545 HydrophobicContact CG-CD1 4.47Å; M319-Y1545 HydrophobicContact CG-CE1 4.48Å; M319-Y1545 HydrophobicContact SD-CD1 4.2Å; M319-Y1545 HydrophobicContact SD-CE1 3.97Å; M319-Y1547 HydrophobicContact SD-CD1 4.15Å; M319-Y1547 HydrophobicContact SD-CD2 4.23Å; M319-Y1547 HydrophobicContact SD-CE1 3.98Å; M319-Y1547 HydrophobicContact SD-CE2 4.01Å; M319-Y1547 HydrophobicContact SD-CG 4.31Å; M319-T1562 HydrophobicContact CG-CG2 4.27Å; M319-T1562 HydrophobicContact SD-CG2 4.36Å; M319-F1564 HydrophobicContact CG-CE1 3.8Å; M319-F1564 HydrophobicContact CG-CZ 3.83Å; M319-P2344 HydrophobicContact CB-CG 3.88Å; M319-P2344 HydrophobicContact CG-CB 4.35Å; M319-P2344 HydrophobicContact CG-CG 4.19Å; M319-P2344 HydrophobicContact SD-CB 4.01Å; M319-P2344 HydrophobicContact SD-CG 4.4Å; M319-L2345 HydrophobicContact CE-CD2 3.83Å |
| 320 | A | 90.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.6 | -34.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | F175 V316 L317 N318 L323 Y324 L340 | F175-A320 HydrophobicContact CE2-CB 3.83Å; F175-A320 HydrophobicContact CZ-CB 4.11Å; V316-A320 PolarHBondContact O-N 2.79Å; V316-A320 VanDerWaalsContact O-N 3.11Å; L317-A320 PolarHBondContact O-N 3.1Å; N318-A320 VanDerWaalsContact C-N 3.33Å; N318-A320 PolarHBondContact O-N 3.17Å; A320-L323 WeakPolarHBondContact O-CB 3.33Å; A320-Y324 WeakPolarHBondContact O-CB 3.46Å; A320-Y324 VanDerWaalsContact O-CG 3.23Å; A320-Y324 PolarHBondContact O-N 3.48Å; A320-L340 HydrophobicContact CB-CD1 3.52Å; A320-L340 HydrophobicContact CB-CD2 3.59Å; A320-L340 HydrophobicContact CB-CG 4.21Å |
| 321 | I | 89.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.2 | -35.3 | 174.6 | -72 | 162.5 | 0 | 0 | 0 | 111.4 | L317 N318 Y324 S325 T360 R363 V364 L367 | L317-I321 WeakPolarHBondContact O-CB 3.3Å; L317-I321 WeakPolarHBondContact O-CD1 3.47Å; L317-I321 WeakPolarHBondContact O-CG1 3.39Å; L317-I321 PolarHBondContact O-N 2.81Å; N318-I321 PolarHBondContact O-N 3.33Å; I321-Y324 CarbonylContact O-C 3.52Å; I321-Y324 PolarHBondContact O-N 3.18Å; I321-Y324 VanDerWaalsContact O-N 3.1Å; I321-S325 PolarHBondContact O-N 3.03Å; I321-T360 HydrophobicContact CD1-CG2 4.24Å; I321-R363 HydrophobicContact CD1-CB 4.48Å; I321-R363 HydrophobicContact CG2-CB 3.64Å; I321-R363 HydrophobicContact CG2-CG 4.47Å; I321-V364 HydrophobicContact CD1-CG2 3.52Å; I321-V364 HydrophobicContact CG1-CG2 4.49Å; I321-L367 HydrophobicContact CG2-CD1 3.91Å |
| 322 | N | 86.9 | Confident | 86.7 | Confident | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.1 | -53 | 172.1 | -82.2 | 31.5 | 0 | 0 | 0 | 110.6 | N318 M319 Y324 S325 R363 T1562 N1563 D2341 P2344 | N318-N322 PolarHBondContact O-N 2.98Å; N318-N322 PolarHBondContact O-OD1 3.46Å; M319-N322 WeakPolarHBondContact O-CB 3.23Å; M319-N322 PolarHBondContact O-N 3.23Å; N322-Y324 PolarHBondContact O-N 3.5Å; N322-S325 WeakPolarHBondContact O-CB 3.27Å; N322-S325 PolarHBondContact O-N 2.95Å; N322-S325 VanDerWaalsContact O-N 3.08Å; N322-S325 PolarHBondContact O-OG 2.76Å; N322-R363 VanDerWaalsContact OD1-CZ 3.26Å; N322-R363 PolarHBondContact OD1-NH1 3.1Å; N322-R363 PolarHBondContact OD1-NH2 2.65Å; N322-T1562 PolarHBondContact ND2-OG1 3.15Å; N322-N1563 PolarHBondContact ND2-O 2.88Å; N322-D2341 VanDerWaalsContact CB-O 3.26Å; N322-D2341 WeakPolarHBondContact CB-O 3.35Å; N322-D2341 PolarHBondContact ND2-O 3.28Å; N322-P2344 HydrophobicContact CB-CG 4.12Å |
| 323 | L | 82.6 | Confident | 86.3 | Confident | 31 Ų | 31 | 15.4 Ų | 15.4 | 16% | 0.162 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -52.9 | -40 | 171.4 | -68.1 | 163.9 | 0 | 0 | 0 | 112.3 | M319 A320 K2342 D2343 L2345 | M319-L323 PolarHBondContact O-N 3.14Å; A320-L323 WeakPolarHBondContact O-CB 3.33Å; L323-K2342 WeakPolarHBondContact CA-O 3.38Å; L323-D2343 HydrophobicContact CD2-CB 4.05Å; L323-D2343 WeakPolarHBondContact CD2-OD1 3.32Å; L323-L2345 HydrophobicContact CD1-CB 4.43Å; L323-L2345 HydrophobicContact CD1-CD1 3.76Å; L323-L2345 HydrophobicContact CD1-CG 4.07Å |
| 324 | Y | 83.2 | Confident | 85.8 | Confident | 7 Ų | 7 | 15.6 Ų | 15.6 | 3% | 0.027 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -78.7 | -16.5 | -177.6 | -69.5 | -10.4 | 0 | 0 | 0 | 114.8 | H173 A320 I321 N322 K338 L339 L340 V369 | H173-Y324 AromaticContact CD2-CE1 3.6Å; H173-Y324 AromaticContact CD2-CZ 3.76Å; H173-Y324 PolarHBondContact CD2-OH 3.27Å; H173-Y324 AromaticContact NE2-CE1 3.84Å; A320-Y324 WeakPolarHBondContact O-CB 3.46Å; A320-Y324 VanDerWaalsContact O-CG 3.23Å; A320-Y324 PolarHBondContact O-N 3.48Å; I321-Y324 CarbonylContact O-C 3.52Å; I321-Y324 PolarHBondContact O-N 3.18Å; I321-Y324 VanDerWaalsContact O-N 3.1Å; N322-Y324 PolarHBondContact O-N 3.5Å; Y324-K338 VanDerWaalsContact CA-NZ 3.28Å; Y324-K338 HydrophobicContact CD1-CD 3.7Å; Y324-K338 HydrophobicContact CD2-CB 4.3Å; Y324-K338 HydrophobicContact CD2-CD 4.06Å; Y324-K338 HydrophobicContact CE1-CB 4.31Å; Y324-K338 HydrophobicContact CE1-CD 4.03Å; Y324-K338 HydrophobicContact CE1-CG 4.36Å; Y324-K338 HydrophobicContact CE2-CB 3.9Å; Y324-K338 HydrophobicContact CE2-CD 4.39Å; Y324-K338 HydrophobicContact CG-CD 3.68Å; Y324-K338 PolarHBondContact O-NZ 3.48Å; Y324-L339 PolarHBondContact OH-O 3.19Å; Y324-L340 HydrophobicContact CE2-CB 4.33Å; Y324-V369 HydrophobicContact CD2-CB 4.38Å; Y324-V369 HydrophobicContact CD2-CG1 3.71Å; Y324-V369 HydrophobicContact CD2-CG2 3.69Å; Y324-V369 HydrophobicContact CE2-CG1 3.72Å; Y324-V369 HydrophobicContact CE2-CG2 4.43Å; Y324-V369 HydrophobicContact CG-CG2 4.49Å |
| 325 | S | 78.2 | Confident | 85.4 | Confident | 33 Ų | 33 | 15.6 Ų | 15.6 | 23% | 0.231 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -69.5 | -37.3 | 178.6 | 75.4 | 0 | 0 | 0 | 0 | 113.1 | I321 N322 Y327 | I321-S325 PolarHBondContact O-N 3.03Å; N322-S325 WeakPolarHBondContact O-CB 3.27Å; N322-S325 PolarHBondContact O-N 2.95Å; N322-S325 VanDerWaalsContact O-N 3.08Å; N322-S325 PolarHBondContact O-OG 2.76Å; S325-Y327 WeakPolarHBondContact O-CD1 3.48Å; S325-Y327 PolarHBondContact O-N 3.26Å |
| 326 | G | 73.8 | Confident | 84.9 | Confident | 16 Ų | 16 | 14.5 Ų | 14.5 | 17% | 0.165 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 28.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N328 I329 | G326-N328 PolarHBondContact O-N 2.92Å; G326-I329 PolarHBondContact O-N 3.23Å |
| 327 | Y | 76.7 | Confident | 84.3 | Confident | 48 Ų | 48 | 15.7 Ų | 15.7 | 19% | 0.188 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.7 | -168.4 | 65.7 | -103.1 | 0 | 0 | 0 | 116 | S325 R331 Q1267 W1599 | S325-Y327 WeakPolarHBondContact O-CD1 3.48Å; S325-Y327 PolarHBondContact O-N 3.26Å; Y327-R331 PolarHBondContact O-NH1 2.79Å; Y327-Q1267 PolarHBondContact OH-OE1 3.41Å; Y327-W1599 HydrophobicContact CE2-CZ2 4.47Å |
| 328 | N | 79 | Confident | 83.9 | Confident | 20 Ų | 20 | 18.2 Ų | 18.2 | 11% | 0.107 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -19.1 | 179.1 | 69.7 | -63.5 | 0 | 0 | 0 | 112.7 | G326 F1598 W1599 R1600 | G326-N328 PolarHBondContact O-N 2.92Å; N328-F1598 WeakPolarHBondContact CB-O 3.47Å; N328-F1598 PolarHBondContact ND2-O 2.91Å; N328-W1599 CarbonylContact O-C 3.13Å; N328-W1599 VanDerWaalsContact O-CA 3.31Å; N328-W1599 WeakPolarHBondContact O-CA 3.39Å; N328-R1600 PolarHBondContact O-N 3.13Å |
| 329 | I | 81.6 | Confident | 83.8 | Confident | 29 Ų | 29 | 18.4 Ų | 18.4 | 15% | 0.149 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -83.2 | 148.5 | 173.8 | -55.2 | 174.5 | 0 | 0 | 0 | 108.2 | G326 R331 C2329 | G326-I329 PolarHBondContact O-N 3.23Å; I329-R331 VanDerWaalsContact C-N 3.28Å; I329-R331 PolarHBondContact O-N 2.82Å; I329-C2329 HydrophobicContact CG2-CB 4.14Å |
| 330 | D | 81.9 | Confident | 84 | Confident | 33 Ų | 33 | 18.4 Ų | 18.4 | 18% | 0.176 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 50.4 | 46.7 | 170.4 | -64 | -13 | 0 | 0 | 0 | 113.1 | N332 R1600 P2328 C2329 M2607 | D330-N332 PolarHBondContact O-N 2.82Å; D330-R1600 PolarHBondContact N-O 3.33Å; D330-P2328 VanDerWaalsContact OD2-CA 3.31Å; D330-P2328 WeakPolarHBondContact OD2-CA 3.4Å; D330-P2328 WeakPolarHBondContact OD2-CB 3.43Å; D330-C2329 VanDerWaalsContact CG-N 3.32Å; D330-C2329 WeakPolarHBondContact OD1-CB 3.48Å; D330-C2329 PolarHBondContact OD1-N 2.86Å; D330-C2329 PolarHBondContact OD1-SG 3.48Å; D330-C2329 PolarHBondContact OD2-N 2.97Å; D330-M2607 HydrophobicContact CB-CE 4.02Å; D330-M2607 HydrophobicContact CB-CG 4.46Å; D330-M2607 HydrophobicContact CB-SD 3.57Å; D330-M2607 VanDerWaalsContact CB-SD 3.57Å; D330-M2607 WeakPolarHBondContact O-CE 3.47Å |
| 331 | R | 85.2 | Confident | 83.9 | Confident | 32 Ų | 32 | 18.5 Ų | 18.5 | 12% | 0.121 | 10% | 0.101 | C | C | . | . | trans | -73.8 | 114.9 | -170 | -174.1 | 69.4 | -120.5 | 148.5 | -3.1 | 112.2 | Y109 Y327 I329 R335 R1600 S1601 W2298 | Y109-R331 HydrophobicContact CD1-CG 4.46Å; Y109-R331 HydrophobicContact CE1-CG 4.22Å; Y327-R331 PolarHBondContact O-NH1 2.79Å; I329-R331 VanDerWaalsContact C-N 3.28Å; I329-R331 PolarHBondContact O-N 2.82Å; R331-R335 PolarHBondContact NH2-O 3.05Å; R331-R1600 PolarHBondContact N-O 3.28Å; R331-R1600 VanDerWaalsContact N-O 3.16Å; R331-S1601 PolarHBondContact O-OG 2.85Å; R331-W2298 HydrophobicContact CB-CH2 3.99Å; R331-W2298 HydrophobicContact CB-CZ2 4.36Å; R331-W2298 HydrophobicContact CG-CH2 4.16Å; R331-W2298 HydrophobicContact CG-CZ2 4.06Å | ||
| 332 | N | 82.2 | Confident | 84.2 | Confident | 23 Ų | 23 | 18.5 Ų | 18.5 | 12% | 0.123 | 10% | 0.101 | C | C | . | . | trans | -74.6 | 134.5 | 167.3 | -75.7 | -8.2 | 0 | 0 | 0 | 112.2 | D330 | D330-N332 PolarHBondContact O-N 2.82Š| ||
| 333 | F | 85.2 | Confident | 84.7 | Confident | 16 Ų | 16 | 18.3 Ų | 18.3 | 7% | 0.07 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -0.1 | -175.3 | -65.5 | -73.8 | 0 | 0 | 0 | 115.2 | Y109 F1603 W2298 M2306 A2307 V2310 | Y109-F333 WeakPolarHBondContact CB-O 3.41Å; Y109-F333 PolarHBondContact N-O 3.12Å; F333-F1603 HydrophobicContact CE2-CZ 4.01Å; F333-W2298 AromaticContact CE1-CH2 3.37Å; F333-W2298 HydrophobicContact CE1-CH2 3.37Å; F333-W2298 AromaticContact CE1-CZ2 3.57Å; F333-W2298 HydrophobicContact CE1-CZ2 3.57Å; F333-W2298 HydrophobicContact CE1-CZ3 4.21Å; F333-W2298 HydrophobicContact CE2-CH2 4.47Å; F333-W2298 AromaticContact CZ-CH2 3.31Å; F333-W2298 HydrophobicContact CZ-CH2 3.31Å; F333-W2298 HydrophobicContact CZ-CZ2 4.02Å; F333-W2298 AromaticContact CZ-CZ3 3.85Å; F333-W2298 HydrophobicContact CZ-CZ3 3.85Å; F333-M2306 HydrophobicContact CD1-CB 4.27Å; F333-M2306 HydrophobicContact CD1-CG 4.18Å; F333-M2306 HydrophobicContact CE1-CB 3.75Å; F333-M2306 HydrophobicContact CE1-CG 3.26Å; F333-M2306 HydrophobicContact CZ-CG 3.62Å; F333-A2307 HydrophobicContact CB-CB 3.9Å; F333-A2307 HydrophobicContact CD1-CB 4.45Å; F333-A2307 HydrophobicContact CG-CB 4.41Å; F333-V2310 HydrophobicContact CE2-CG2 4.09Å; F333-V2310 HydrophobicContact CZ-CG2 4.33Å |
| 334 | D | 84.1 | Confident | 85.3 | Confident | 9 Ų | 9 | 16.9 Ų | 16.9 | 5% | 0.048 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124 | 9.4 | -174.2 | 64.9 | -27.5 | 0 | 0 | 0 | 113.2 | D107 Q108 | D107-D334 CarbonylContact C-O 3.56Å; D107-D334 WeakPolarHBondContact CA-O 3.44Å; Q108-D334 PolarHBondContact N-O 2.76Å |
| 335 | R | 85.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | trans | -130.4 | 143.2 | -177.3 | -64.9 | -63.7 | 174.2 | -65.5 | -35 | 114 | D107 Y109 T169 V171 D216 R259 R331 | D107-R335 IonicContact OD1-NH1 3.03Å; Y109-R335 VanDerWaalsContact CD2-O 3.29Å; Y109-R335 WeakPolarHBondContact CD2-O 3.46Å; T169-R335 WeakPolarHBondContact O-CA 3.37Å; T169-R335 WeakPolarHBondContact O-CD 3.4Å; V171-R335 HydrophobicContact CG2-CB 4.41Å; D216-R335 IonicContact OD1-CZ 3.48Å; D216-R335 VanDerWaalsContact OD1-CZ 3.23Å; D216-R335 IonicContact OD1-NE 3.24Å; D216-R335 PolarHBondContact OD1-NE 3.5Å; D216-R335 IonicContact OD1-NH2 3.86Å; D216-R335 PolarHBondContact OD1-NH2 2.9Å; D216-R335 WeakPolarHBondContact OD2-CD 3.46Å; D216-R335 VanDerWaalsContact OD2-CG 3.23Å; D216-R335 WeakPolarHBondContact OD2-CG 2.78Å; D216-R335 IonicContact OD2-CZ 3.14Å; D216-R335 IonicContact OD2-NE 3.87Å; D216-R335 PolarHBondContact OD2-NE 2.77Å; D216-R335 IonicContact OD2-NH2 3.18Å; D216-R335 PolarHBondContact OD2-NH2 2.92Å; R259-R335 VanDerWaalsContact NH1-CZ 3.27Å; R259-R335 VanDerWaalsContact NH1-NH2 3.12Å; R331-R335 PolarHBondContact NH2-O 3.05Å | ||
| 336 | T | 85.4 | Confident | 86.5 | Confident | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | trans | -144.8 | 143.9 | -175.4 | 29.2 | 0 | 0 | 0 | 0 | 111.9 | F105 Y109 F110 S167 T169 A170 | F105-T336 HydrophobicContact CD2-CG2 4.26Å; F105-T336 VanDerWaalsContact CD2-OG1 3.31Å; F105-T336 WeakPolarHBondContact CD2-OG1 3.23Å; F105-T336 HydrophobicContact CE2-CG2 4Å; F105-T336 VanDerWaalsContact CE2-OG1 3.25Å; F105-T336 WeakPolarHBondContact CE2-OG1 3.48Å; Y109-T336 HydrophobicContact CD2-CG2 4.13Å; F110-T336 HydrophobicContact CB-CG2 3.9Å; F110-T336 HydrophobicContact CD2-CG2 4.07Å; S167-T336 WeakPolarHBondContact CB-O 3.41Å; S167-T336 PolarHBondContact OG-O 2.86Å; S167-T336 PolarHBondContact OG-OG1 2.86Å; T169-T336 PolarHBondContact O-N 2.88Å; A170-T336 WeakPolarHBondContact CA-O 3.49Å; A170-T336 WeakPolarHBondContact CB-O 3.34Å | ||
| 337 | G | 82.8 | Confident | 87.3 | Confident | 24 Ų | 24 | 16.8 Ų | 16.8 | 25% | 0.247 | 9% | 0.092 | C | C | . | . | trans | 73.2 | 160.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | V171 | V171-G337 PolarHBondContact N-O 2.78Š| ||
| 338 | K | 85.8 | Confident | 88 | Confident | 53 Ų | 53 | 14.5 Ų | 14.5 | 23% | 0.23 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 132.1 | -179.2 | -63 | -176.2 | 174.6 | -160.8 | 0 | 107.7 | V171 Y324 | V171-K338 WeakPolarHBondContact O-CA 3.44Å; Y324-K338 VanDerWaalsContact CA-NZ 3.28Å; Y324-K338 HydrophobicContact CD1-CD 3.7Å; Y324-K338 HydrophobicContact CD2-CB 4.3Å; Y324-K338 HydrophobicContact CD2-CD 4.06Å; Y324-K338 HydrophobicContact CE1-CB 4.31Å; Y324-K338 HydrophobicContact CE1-CD 4.03Å; Y324-K338 HydrophobicContact CE1-CG 4.36Å; Y324-K338 HydrophobicContact CE2-CB 3.9Å; Y324-K338 HydrophobicContact CE2-CD 4.39Å; Y324-K338 HydrophobicContact CG-CD 3.68Å; Y324-K338 PolarHBondContact O-NZ 3.48Å |
| 339 | L | 90.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.3 | 174.3 | -173.6 | 65.2 | 0 | 0 | 0 | 109.7 | V171 I172 H173 Y324 L1191 P1194 | V171-L339 PolarHBondContact O-N 2.7Å; I172-L339 HydrophobicContact CD1-CD2 4.4Å; I172-L339 HydrophobicContact CG1-CB 4.18Å; I172-L339 HydrophobicContact CG2-CB 4.39Å; H173-L339 PolarHBondContact N-O 3.28Å; H173-L339 VanDerWaalsContact N-O 3.14Å; Y324-L339 PolarHBondContact OH-O 3.19Å; L339-L1191 HydrophobicContact CD2-CD2 4.27Å; L339-P1194 HydrophobicContact CB-CB 4.32Å; L339-P1194 HydrophobicContact CD2-CB 4.42Å |
| 340 | L | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.2 | 171.4 | -177.7 | 47 | 0 | 0 | 0 | 108.1 | H173 F175 L317 A320 Y324 V369 G370 V371 D372 | H173-L340 HydrophobicContact CB-CD1 4.29Å; F175-L340 HydrophobicContact CD2-CD1 3.62Å; F175-L340 HydrophobicContact CE2-CD1 3.51Å; L317-L340 HydrophobicContact CB-CD2 4.47Å; L317-L340 HydrophobicContact CD2-CD2 3.44Å; L317-L340 VanDerWaalsContact CD2-CD2 3.44Å; L317-L340 HydrophobicContact CD2-CG 3.85Å; A320-L340 HydrophobicContact CB-CD1 3.52Å; A320-L340 HydrophobicContact CB-CD2 3.59Å; A320-L340 HydrophobicContact CB-CG 4.21Å; Y324-L340 HydrophobicContact CE2-CB 4.33Å; L340-V369 HydrophobicContact CB-CG1 4.04Å; L340-G370 PolarHBondContact N-O 3.46Å; L340-V371 HydrophobicContact CB-CG2 4.37Å; L340-V371 HydrophobicContact CD2-CG2 4.31Å; L340-V371 WeakPolarHBondContact O-CA 3.28Å; L340-D372 PolarHBondContact O-N 2.87Å |
| 341 | F | 90.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 13.7 Ų | 13.7 | 1% | 0.013 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 122.7 | -163.2 | 174.9 | -81.9 | 0 | 0 | 0 | 109.2 | I172 H173 I174 F175 F199 L203 I343 D372 I374 L1191 | I172-F341 HydrophobicContact CG2-CB 4.22Å; H173-F341 WeakPolarHBondContact O-CB 3.36Å; H173-F341 PolarHBondContact O-N 3.11Å; I174-F341 WeakPolarHBondContact CA-O 3.3Å; I174-F341 HydrophobicContact CB-CD1 3.93Å; I174-F341 HydrophobicContact CB-CE1 4.47Å; I174-F341 HydrophobicContact CD1-CD1 4.34Å; I174-F341 HydrophobicContact CD1-CE1 4.44Å; I174-F341 HydrophobicContact CG1-CB 4.36Å; I174-F341 HydrophobicContact CG1-CD1 3.65Å; I174-F341 HydrophobicContact CG1-CE1 4.21Å; I174-F341 HydrophobicContact CG1-CG 4.19Å; I174-F341 HydrophobicContact CG2-CD1 3.74Å; I174-F341 HydrophobicContact CG2-CE1 3.86Å; F175-F341 PolarHBondContact N-O 3.43Å; F199-F341 HydrophobicContact CE1-CE1 4.37Å; F199-F341 HydrophobicContact CE1-CE2 4.36Å; F199-F341 AromaticContact CE1-CZ 3.51Å; F199-F341 HydrophobicContact CE1-CZ 3.51Å; F199-F341 HydrophobicContact CZ-CE2 4.06Å; F199-F341 AromaticContact CZ-CZ 3.63Å; F199-F341 HydrophobicContact CZ-CZ 3.63Å; L203-F341 HydrophobicContact CD2-CZ 4.47Å; F341-I343 HydrophobicContact CD1-CG1 4.47Å; F341-I343 HydrophobicContact CE1-CD1 3.66Å; F341-I343 HydrophobicContact CE1-CG1 3.54Å; F341-I343 HydrophobicContact CZ-CD1 4.05Å; F341-I343 HydrophobicContact CZ-CG1 3.96Å; F341-D372 WeakPolarHBondContact CA-O 3.29Å; F341-I374 HydrophobicContact CD2-CD1 3.93Å; F341-I374 HydrophobicContact CE1-CD1 4.44Å; F341-I374 HydrophobicContact CE2-CD1 3.11Å; F341-I374 HydrophobicContact CZ-CD1 3.41Å; F341-I374 VanDerWaalsContact CZ-CD1 3.41Å; F341-L1191 HydrophobicContact CD2-CD2 3.61Å; F341-L1191 HydrophobicContact CE2-CD1 3.97Å; F341-L1191 HydrophobicContact CE2-CD2 3.55Å; F341-L1191 HydrophobicContact CE2-CG 4.32Å |
| 342 | V | 95.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.2 | -174.9 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | F175 F222 L313 L317 D372 L373 I374 | F175-V342 HydrophobicContact CB-CG2 4.43Å; F175-V342 CarbonylContact O-C 3.59Å; F175-V342 WeakPolarHBondContact O-CA 3.34Å; F222-V342 HydrophobicContact CE1-CG1 4.24Å; F222-V342 HydrophobicContact CZ-CG1 4.24Å; L313-V342 HydrophobicContact CD1-CG1 4Å; L313-V342 HydrophobicContact CD1-CG2 4.32Å; L317-V342 HydrophobicContact CD2-CG2 4.31Å; V342-D372 PolarHBondContact N-O 2.96Å; V342-L373 HydrophobicContact CB-CD1 3.88Å; V342-L373 HydrophobicContact CG1-CD1 3.91Å; V342-I374 PolarHBondContact O-N 3.3Å |
| 343 | I | 96.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.1 | 169.4 | -67.5 | 173.1 | 0 | 0 | 0 | 108.9 | F175 I176 Q177 A196 F199 L200 F341 L376 | F175-I343 PolarHBondContact O-N 2.94Å; I176-I343 HydrophobicContact CG1-CB 4.28Å; I176-I343 HydrophobicContact CG1-CD1 4.29Å; Q177-I343 WeakPolarHBondContact CB-O 3.35Å; Q177-I343 PolarHBondContact N-O 3.13Å; A196-I343 HydrophobicContact CB-CG2 4.43Å; F199-I343 HydrophobicContact CD1-CD1 3.78Å; F199-I343 HydrophobicContact CE1-CD1 4Å; L200-I343 HydrophobicContact CD2-CD1 3.77Å; L200-I343 HydrophobicContact CG-CD1 4.11Å; F341-I343 HydrophobicContact CD1-CG1 4.47Å; F341-I343 HydrophobicContact CE1-CD1 3.66Å; F341-I343 HydrophobicContact CE1-CG1 3.54Å; F341-I343 HydrophobicContact CZ-CD1 4.05Å; F341-I343 HydrophobicContact CZ-CG1 3.96Å; I343-L376 HydrophobicContact CG2-CD1 3.75Å; I343-L376 HydrophobicContact CG2-CD2 4.25Å; I343-L376 HydrophobicContact CG2-CG 4.04Å |
| 344 | T | 96.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.5 | 176 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | Q177 G346 Y350 L373 I374 C375 L376 | Q177-T344 PolarHBondContact OE1-OG1 2.94Å; T344-G346 PolarHBondContact OG1-N 2.82Å; T344-Y350 WeakPolarHBondContact CB-OH 3.32Å; T344-Y350 WeakPolarHBondContact CG2-OH 3.4Å; T344-Y350 PolarHBondContact OG1-OH 2.59Å; T344-L373 HydrophobicContact CG2-CD1 3.85Å; T344-L373 HydrophobicContact CG2-CG 4.38Å; T344-I374 PolarHBondContact N-O 3.08Å; T344-C375 HydrophobicContact CG2-CB 4.2Å; T344-C375 WeakPolarHBondContact CG2-SG 3.22Å; T344-L376 WeakPolarHBondContact O-CG 3.34Å; T344-L376 PolarHBondContact O-N 2.86Å |
| 345 | P | 94.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -75.5 | -9.4 | 164.5 | 35.4 | -35.6 | 0 | 0 | 0 | 111.9 | S179 E181 M182 Y192 A308 A377 | S179-P345 WeakPolarHBondContact OG-CG 3.46Å; E181-P345 HydrophobicContact CB-CB 4.07Å; E181-P345 HydrophobicContact CB-CG 4.19Å; M182-P345 HydrophobicContact CB-CG 4.43Å; M182-P345 HydrophobicContact CE-CB 4.16Å; M182-P345 HydrophobicContact CE-CG 3.99Å; Y192-P345 HydrophobicContact CG-CB 4.36Å; A308-P345 HydrophobicContact CB-CG 4.49Å; P345-A377 WeakPolarHBondContact O-CB 3.31Å |
| 346 | G | 91.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 23 Ų | 23 | 9% | 0.093 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -74.8 | 169 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T344 C375 | T344-G346 PolarHBondContact OG1-N 2.82Å; G346-C375 WeakPolarHBondContact O-CB 3.29Å; G346-C375 PolarHBondContact O-SG 2.92Å; G346-C375 VanDerWaalsContact O-SG 3.4Å |
| 347 | S | 89.6 | Confident | 91.1 | Very high | 41 Ų | 41 | 23.5 Ų | 23.5 | 29% | 0.287 | 13% | 0.131 | S | C | . | . | trans | -84.5 | -6.9 | -178.6 | 55.6 | 0 | 0 | 0 | 0 | 114.9 | P380 Y410 | S347-P380 WeakPolarHBondContact O-CD 3.36Å; S347-Y410 PolarHBondContact O-OH 3.06Å | ||
| 348 | G | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 106.9 | 11.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L386 | G348-L386 PolarHBondContact O-N 3Š|
| 349 | V | 92.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 23.9 Ų | 23.9 | 15% | 0.145 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 133.7 | 176.1 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | M309 H382 L386 | M309-V349 WeakPolarHBondContact CA-O 3.36Å; M309-V349 HydrophobicContact CG-CG1 4.29Å; M309-V349 HydrophobicContact SD-CG1 4.39Å; V349-H382 VanDerWaalsContact CG2-NE2 3.26Å; V349-H382 WeakPolarHBondContact CG2-NE2 3.26Å; V349-L386 CarbonylContact C-O 3.56Å; V349-L386 WeakPolarHBondContact CA-O 3.42Å; V349-L386 HydrophobicContact CG2-CB 4.33Å; V349-L386 HydrophobicContact CG2-CD2 4.2Å |
| 350 | Y | 94.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147 | 178.5 | -61.1 | -90 | 0 | 0 | 0 | 112.3 | A308 M309 L313 T344 L373 L386 F387 K388 | A308-Y350 WeakPolarHBondContact O-CD1 3.21Å; A308-Y350 VanDerWaalsContact O-CE1 3.3Å; A308-Y350 WeakPolarHBondContact O-CE1 3.45Å; M309-Y350 CarbonylContact O-C 3.59Å; M309-Y350 WeakPolarHBondContact O-CA 3.13Å; L313-Y350 HydrophobicContact CB-CD1 4.07Å; L313-Y350 HydrophobicContact CB-CE1 4.15Å; L313-Y350 HydrophobicContact CD2-CD1 3.98Å; L313-Y350 HydrophobicContact CD2-CD2 3.73Å; L313-Y350 HydrophobicContact CD2-CE1 3.88Å; L313-Y350 HydrophobicContact CD2-CE2 3.64Å; L313-Y350 HydrophobicContact CD2-CG 3.9Å; T344-Y350 WeakPolarHBondContact CB-OH 3.32Å; T344-Y350 WeakPolarHBondContact CG2-OH 3.4Å; T344-Y350 PolarHBondContact OG1-OH 2.59Å; Y350-L373 HydrophobicContact CE2-CD2 4.04Å; Y350-L386 PolarHBondContact N-O 3.36Å; Y350-F387 HydrophobicContact CD2-CD1 4.14Å; Y350-F387 AromaticContact CD2-CE1 3.83Å; Y350-F387 HydrophobicContact CD2-CE1 3.83Å; Y350-F387 HydrophobicContact CG-CD1 4.49Å; Y350-F387 HydrophobicContact CG-CE1 4.29Å; Y350-F387 CarbonylContact O-C 3.51Å; Y350-F387 WeakPolarHBondContact O-CA 3.25Å; Y350-K388 PolarHBondContact O-N 3.3Å |
| 351 | H | 91.8 | Very high | 91.3 | Very high | 41 Ų | 41 | 28.8 Ų | 28.8 | 19% | 0.19 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 136.5 | 163.5 | -68.6 | 129 | 0 | 0 | 0 | 110.2 | M309 D310 K388 L390 | M309-H351 PolarHBondContact O-N 2.78Å; M309-H351 PolarHBondContact SD-CE1 3Å; D310-H351 IonicContact OD1-CE1 2.7Å; D310-H351 IonicContact OD1-CG 2.73Å; D310-H351 IonicContact OD1-ND1 2.66Å; D310-H351 PolarHBondContact OD1-ND1 2.64Å; H351-K388 CarbonylContact C-O 3.45Å; H351-K388 WeakPolarHBondContact CA-O 3.48Å; H351-L390 HydrophobicContact CB-CD1 4.11Å; H351-L390 HydrophobicContact CB-CD2 4.42Å; H351-L390 HydrophobicContact CB-CG 4.26Å |
| 352 | V | 90.7 | Very high | 90.9 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 156.2 | -174.2 | -61.4 | 0 | 0 | 0 | 0 | 113.1 | L314 L357 F387 K388 I389 L390 | L314-V352 HydrophobicContact CD1-CB 3.73Å; L314-V352 HydrophobicContact CD1-CG1 3.66Å; L314-V352 HydrophobicContact CG-CG1 3.93Å; V352-L357 HydrophobicContact CG2-CD2 4.19Å; V352-F387 HydrophobicContact CG1-CB 4.34Å; V352-F387 HydrophobicContact CG1-CD1 4.22Å; V352-F387 HydrophobicContact CG1-CD2 4.38Å; V352-F387 HydrophobicContact CG1-CG 4.09Å; V352-F387 HydrophobicContact CG2-CB 3.92Å; V352-F387 HydrophobicContact CG2-CG 4.44Å; V352-K388 PolarHBondContact N-O 3.1Å; V352-I389 HydrophobicContact CG2-CG1 4.26Å; V352-I389 WeakPolarHBondContact O-CA 3.13Å; V352-L390 PolarHBondContact O-N 3Å |
| 353 | N | 88.1 | Confident | 90.4 | Very high | 65 Ų | 65 | 30.7 Ų | 30.7 | 35% | 0.348 | 16% | 0.158 | S | C | . | . | trans | -89.5 | 140 | 168.2 | 176.4 | -83.9 | 0 | 0 | 0 | 110.7 | N355 L356 L357 | N353-N355 WeakPolarHBondContact OD1-CB 3.15Å; N353-N355 PolarHBondContact OD1-N 3.46Å; N353-L356 HydrophobicContact CB-CB 4.21Å; N353-L356 PolarHBondContact OD1-N 3.44Å; N353-L357 WeakPolarHBondContact O-CB 3.42Å; N353-L357 PolarHBondContact O-N 3.43Å | ||
| 354 | E | 87.4 | Confident | 89.9 | Confident | 98 Ų | 98 | 31 Ų | 31 | 46% | 0.458 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.9 | -50.7 | -176.7 | -171.4 | -173.5 | 168 | 0 | 0 | 113.1 | L356 L357 L358 I389 | E354-L356 VanDerWaalsContact C-N 3.28Å; E354-L356 PolarHBondContact O-N 3.08Å; E354-L357 WeakPolarHBondContact O-CB 3.5Å; E354-L357 PolarHBondContact O-N 3.24Å; E354-L358 HydrophobicContact CG-CD1 4.07Å; E354-L358 HydrophobicContact CG-CG 4.42Å; E354-L358 WeakPolarHBondContact O-CG 3.43Å; E354-L358 PolarHBondContact O-N 2.9Å; E354-I389 HydrophobicContact CB-CD1 4.5Å; E354-I389 HydrophobicContact CB-CG2 3.93Å; E354-I389 HydrophobicContact CG-CD1 4.3Å |
| 355 | N | 88 | Confident | 89 | Confident | 89 Ų | 89 | 35.4 Ų | 35.4 | 48% | 0.476 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.9 | -41.7 | -178.5 | -68.6 | -50.4 | 0 | 0 | 0 | 111.2 | N353 L359 I1543 | N353-N355 WeakPolarHBondContact OD1-CB 3.15Å; N353-N355 PolarHBondContact OD1-N 3.46Å; N355-L359 VanDerWaalsContact O-CB 3.23Å; N355-L359 WeakPolarHBondContact O-CB 3.42Å; N355-L359 PolarHBondContact O-N 3.37Å; N355-I1543 HydrophobicContact CB-CD1 4.45Å |
| 356 | L | 90.6 | Very high | 88.1 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.4 | -36.9 | 176 | -173.1 | 64.4 | 0 | 0 | 0 | 112.1 | L314 E315 N353 E354 T360 I1543 F1564 | L314-L356 HydrophobicContact CB-CD2 3.57Å; L314-L356 HydrophobicContact CB-CG 3.82Å; L314-L356 HydrophobicContact CD1-CB 4.43Å; L314-L356 HydrophobicContact CD1-CD2 4.28Å; L314-L356 HydrophobicContact CD1-CG 4.14Å; E315-L356 HydrophobicContact CG-CD2 3.79Å; N353-L356 HydrophobicContact CB-CB 4.21Å; N353-L356 PolarHBondContact OD1-N 3.44Å; E354-L356 VanDerWaalsContact C-N 3.28Å; E354-L356 PolarHBondContact O-N 3.08Å; L356-T360 WeakPolarHBondContact O-CB 3.3Å; L356-T360 PolarHBondContact O-N 3.21Å; L356-T360 PolarHBondContact O-OG1 3.38Å; L356-I1543 HydrophobicContact CB-CD1 4.28Å; L356-I1543 HydrophobicContact CD1-CD1 4.14Å; L356-F1564 HydrophobicContact CD1-CD2 3.95Å; L356-F1564 HydrophobicContact CD1-CE2 4.4Å |
| 357 | L | 91.6 | Very high | 87.4 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -46.2 | 175.2 | 174.8 | 57.2 | 0 | 0 | 0 | 112.2 | L314 V352 N353 E354 T360 K361 F387 I389 V401 W405 | L314-L357 HydrophobicContact CD1-CB 3.98Å; L314-L357 HydrophobicContact CD1-CD1 4.43Å; V352-L357 HydrophobicContact CG2-CD2 4.19Å; N353-L357 WeakPolarHBondContact O-CB 3.42Å; N353-L357 PolarHBondContact O-N 3.43Å; E354-L357 WeakPolarHBondContact O-CB 3.5Å; E354-L357 PolarHBondContact O-N 3.24Å; L357-T360 PolarHBondContact O-N 2.67Å; L357-K361 WeakPolarHBondContact O-CB 3.44Å; L357-K361 PolarHBondContact O-N 3.16Å; L357-F387 HydrophobicContact CD1-CD2 3.54Å; L357-F387 HydrophobicContact CD1-CE2 3.77Å; L357-F387 HydrophobicContact CD2-CD2 4.36Å; L357-I389 HydrophobicContact CD2-CD1 4.34Å; L357-I389 HydrophobicContact CD2-CG1 4.42Å; L357-V401 HydrophobicContact CD2-CB 3.86Å; L357-V401 HydrophobicContact CD2-CG1 3.96Å; L357-V401 HydrophobicContact CD2-CG2 3.9Å; L357-W405 HydrophobicContact CD1-CZ2 4.05Å |
| 358 | L | 87.7 | Confident | 86.8 | Confident | 83 Ų | 83 | 35.8 Ų | 35.8 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 176 | -68.5 | 172.5 | 0 | 0 | 0 | 111 | E354 K361 K362 | E354-L358 HydrophobicContact CG-CD1 4.07Å; E354-L358 HydrophobicContact CG-CG 4.42Å; E354-L358 WeakPolarHBondContact O-CG 3.43Å; E354-L358 PolarHBondContact O-N 2.9Å; L358-K361 PolarHBondContact O-N 3.11Å; L358-K362 PolarHBondContact O-N 3.46Å; L358-K362 VanDerWaalsContact O-N 3.09Å |
| 359 | L | 88.9 | Confident | 86.4 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -49.3 | 175.4 | -178.3 | 62.1 | 0 | 0 | 0 | 112 | N355 K361 K362 R363 I1541 I1543 F1564 | N355-L359 VanDerWaalsContact O-CB 3.23Å; N355-L359 WeakPolarHBondContact O-CB 3.42Å; N355-L359 PolarHBondContact O-N 3.37Å; L359-K361 PolarHBondContact O-N 3.11Å; L359-K362 PolarHBondContact O-N 2.66Å; L359-R363 HydrophobicContact CD1-CG 4.22Å; L359-R363 VanDerWaalsContact O-CG 3.29Å; L359-R363 WeakPolarHBondContact O-CG 3.5Å; L359-R363 PolarHBondContact O-N 3.01Å; L359-R363 VanDerWaalsContact O-N 3.08Å; L359-I1541 HydrophobicContact CD1-CB 4.44Å; L359-I1541 HydrophobicContact CD1-CG2 4.46Å; L359-I1541 HydrophobicContact CD2-CG2 4.21Å; L359-I1543 HydrophobicContact CD2-CD1 3.89Å; L359-I1543 HydrophobicContact CD2-CG1 4.29Å; L359-F1564 HydrophobicContact CD2-CB 3.67Å |
| 360 | T | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 179.4 | -48.7 | 0 | 0 | 0 | 0 | 111 | L314 L317 N318 I321 L356 L357 K362 R363 V364 W405 | L314-T360 HydrophobicContact CD2-CG2 4.28Å; L317-T360 HydrophobicContact CB-CG2 4.17Å; L317-T360 HydrophobicContact CD1-CG2 4.25Å; N318-T360 PolarHBondContact ND2-OG1 2.82Å; I321-T360 HydrophobicContact CD1-CG2 4.24Å; L356-T360 WeakPolarHBondContact O-CB 3.3Å; L356-T360 PolarHBondContact O-N 3.21Å; L356-T360 PolarHBondContact O-OG1 3.38Å; L357-T360 PolarHBondContact O-N 2.67Å; T360-K362 VanDerWaalsContact C-N 3.34Å; T360-K362 PolarHBondContact O-N 3.11Å; T360-R363 PolarHBondContact O-N 2.88Å; T360-V364 HydrophobicContact CG2-CG2 4.14Å; T360-V364 WeakPolarHBondContact O-CB 3.21Å; T360-V364 VanDerWaalsContact O-CG2 3.3Å; T360-V364 WeakPolarHBondContact O-CG2 3.25Å; T360-V364 PolarHBondContact O-N 2.98Å; T360-W405 HydrophobicContact CG2-CH2 3.58Å; T360-W405 HydrophobicContact CG2-CZ2 4.27Å; T360-W405 HydrophobicContact CG2-CZ3 4.11Å |
| 361 | K | 88.2 | Confident | 85.9 | Confident | 107 Ų | 107 | 37 Ų | 37 | 47% | 0.465 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55 | -47.9 | 178.9 | 177.8 | -170.6 | 171.9 | -165.9 | 0 | 111.4 | L357 L358 L359 L365 | L357-K361 WeakPolarHBondContact O-CB 3.44Å; L357-K361 PolarHBondContact O-N 3.16Å; L358-K361 PolarHBondContact O-N 3.11Å; L359-K361 PolarHBondContact O-N 3.11Å; K361-L365 HydrophobicContact CG-CD1 4.17Å; K361-L365 WeakPolarHBondContact O-CD1 3.4Å; K361-L365 VanDerWaalsContact O-CG 3.27Å; K361-L365 WeakPolarHBondContact O-CG 3.49Å; K361-L365 PolarHBondContact O-N 3.37Å |
| 362 | K | 82.9 | Confident | 85.9 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 14% | 0.139 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.8 | -53.6 | 178 | 179.6 | 172 | 173.9 | 177.4 | 0 | 111.3 | L358 L359 T360 V364 L365 D366 D1538 | L358-K362 PolarHBondContact O-N 3.46Å; L358-K362 VanDerWaalsContact O-N 3.09Å; L359-K362 PolarHBondContact O-N 2.66Å; T360-K362 VanDerWaalsContact C-N 3.34Å; T360-K362 PolarHBondContact O-N 3.11Å; K362-V364 PolarHBondContact O-N 3.03Å; K362-L365 PolarHBondContact O-N 3.22Å; K362-L365 VanDerWaalsContact O-N 3.15Å; K362-D366 PolarHBondContact O-N 3.4Å; K362-D1538 IonicContact NZ-OD2 3.99Å; K362-D1538 PolarHBondContact NZ-OD2 2.67Å |
| 363 | R | 85.1 | Confident | 86.1 | Confident | 12 Ų | 12 | 35 Ų | 35 | 5% | 0.045 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -33.1 | -174.4 | -58.4 | 170.3 | 93 | -141.5 | 0.8 | 113.7 | N318 I321 N322 L359 T360 L367 T1565 | N318-R363 PolarHBondContact O-NH1 2.79Å; N318-R363 PolarHBondContact OD1-NH1 3.23Å; I321-R363 HydrophobicContact CD1-CB 4.48Å; I321-R363 HydrophobicContact CG2-CB 3.64Å; I321-R363 HydrophobicContact CG2-CG 4.47Å; N322-R363 VanDerWaalsContact OD1-CZ 3.26Å; N322-R363 PolarHBondContact OD1-NH1 3.1Å; N322-R363 PolarHBondContact OD1-NH2 2.65Å; L359-R363 HydrophobicContact CD1-CG 4.22Å; L359-R363 VanDerWaalsContact O-CG 3.29Å; L359-R363 WeakPolarHBondContact O-CG 3.5Å; L359-R363 PolarHBondContact O-N 3.01Å; L359-R363 VanDerWaalsContact O-N 3.08Å; T360-R363 PolarHBondContact O-N 2.88Å; R363-L367 PolarHBondContact O-N 2.83Å; R363-T1565 WeakPolarHBondContact CD-O 3.25Å; R363-T1565 PolarHBondContact NE-O 3.36Å |
| 364 | V | 84.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.03 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 173.5 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | I321 T360 K362 G368 V369 V371 W405 | I321-V364 HydrophobicContact CD1-CG2 3.52Å; I321-V364 HydrophobicContact CG1-CG2 4.49Å; T360-V364 HydrophobicContact CG2-CG2 4.14Å; T360-V364 WeakPolarHBondContact O-CB 3.21Å; T360-V364 VanDerWaalsContact O-CG2 3.3Å; T360-V364 WeakPolarHBondContact O-CG2 3.25Å; T360-V364 PolarHBondContact O-N 2.98Å; K362-V364 PolarHBondContact O-N 3.03Å; V364-G368 WeakPolarHBondContact O-CA 3.45Å; V364-G368 PolarHBondContact O-N 3.26Å; V364-V369 PolarHBondContact O-N 2.83Å; V364-V371 HydrophobicContact CG1-CG2 4.43Å; V364-W405 HydrophobicContact CB-CE3 4.24Å; V364-W405 HydrophobicContact CG1-CB 4.34Å; V364-W405 HydrophobicContact CG1-CD2 4.42Å; V364-W405 HydrophobicContact CG1-CE3 3.93Å; V364-W405 HydrophobicContact CG2-CE3 3.95Å; V364-W405 HydrophobicContact CG2-CZ3 3.93Å |
| 365 | L | 78.9 | Confident | 86.7 | Confident | 94 Ų | 94 | 27.2 Ų | 27.2 | 49% | 0.492 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.7 | -47 | 179.5 | -67.5 | 170.3 | 0 | 0 | 0 | 111.7 | K361 K362 L367 G368 | K361-L365 HydrophobicContact CG-CD1 4.17Å; K361-L365 WeakPolarHBondContact O-CD1 3.4Å; K361-L365 VanDerWaalsContact O-CG 3.27Å; K361-L365 WeakPolarHBondContact O-CG 3.49Å; K361-L365 PolarHBondContact O-N 3.37Å; K362-L365 PolarHBondContact O-N 3.22Å; K362-L365 VanDerWaalsContact O-N 3.15Å; L365-L367 PolarHBondContact O-N 3Å; L365-G368 PolarHBondContact O-N 2.97Å |
| 366 | D | 76 | Confident | 86.9 | Confident | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.053 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.6 | -46.2 | 179.1 | -71.5 | -12.1 | 0 | 0 | 0 | 112.2 | K362 S1568 T1569 | K362-D366 PolarHBondContact O-N 3.4Å; D366-S1568 WeakPolarHBondContact CB-OG 3.32Å; D366-S1568 PolarHBondContact OD2-OG 3.26Å; D366-T1569 HydrophobicContact CB-CG2 4.43Å |
| 367 | L | 76.7 | Confident | 86.9 | Confident | 29 Ų | 29 | 22.9 Ų | 22.9 | 15% | 0.152 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -80.9 | -21.9 | 179.6 | -63.1 | -173.9 | 0 | 0 | 0 | 113.3 | I321 R363 L365 V369 | I321-L367 HydrophobicContact CG2-CD1 3.91Å; R363-L367 PolarHBondContact O-N 2.83Å; L365-L367 PolarHBondContact O-N 3Å; L367-V369 HydrophobicContact CB-CG2 3.73Å; L367-V369 HydrophobicContact CD1-CG2 4.43Å |
| 368 | G | 77.1 | Confident | 86.5 | Confident | 22 Ų | 22 | 24.2 Ų | 24.2 | 23% | 0.227 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 43.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V364 L365 | V364-G368 WeakPolarHBondContact O-CA 3.45Å; V364-G368 PolarHBondContact O-N 3.26Å; L365-G368 PolarHBondContact O-N 2.97Å |
| 369 | V | 81 | Confident | 86.4 | Confident | 11 Ų | 11 | 22.4 Ų | 22.4 | 7% | 0.067 | 13% | 0.125 | C | C | . | . | trans | -90 | 125.4 | -176.1 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | Y324 L340 V364 L367 | Y324-V369 HydrophobicContact CD2-CB 4.38Å; Y324-V369 HydrophobicContact CD2-CG1 3.71Å; Y324-V369 HydrophobicContact CD2-CG2 3.69Å; Y324-V369 HydrophobicContact CE2-CG1 3.72Å; Y324-V369 HydrophobicContact CE2-CG2 4.43Å; Y324-V369 HydrophobicContact CG-CG2 4.49Å; L340-V369 HydrophobicContact CB-CG1 4.04Å; V364-V369 PolarHBondContact O-N 2.83Å; L367-V369 HydrophobicContact CB-CG2 3.73Å; L367-V369 HydrophobicContact CD1-CG2 4.43Å | ||
| 370 | G | 85 | Confident | 86.3 | Confident | 35 Ų | 35 | 23.5 Ų | 23.5 | 36% | 0.361 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 130.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L340 | L340-G370 PolarHBondContact N-O 3.46Å |
| 371 | V | 91.7 | Very high | 86 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 105.4 | 176.7 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | L317 L340 V364 I406 N407 | L317-V371 HydrophobicContact CD2-CG1 3.68Å; L317-V371 HydrophobicContact CD2-CG2 4.49Å; L340-V371 HydrophobicContact CB-CG2 4.37Å; L340-V371 HydrophobicContact CD2-CG2 4.31Å; L340-V371 WeakPolarHBondContact O-CA 3.28Å; V364-V371 HydrophobicContact CG1-CG2 4.43Å; V371-I406 HydrophobicContact CB-CG1 4.46Å; V371-I406 HydrophobicContact CG1-CG1 4.23Å; V371-I406 HydrophobicContact CG1-CG2 4.25Å; V371-N407 PolarHBondContact O-N 2.97Å |
| 372 | D | 92.8 | Very high | 86 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.032 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 114.7 | 174.7 | -81.8 | -33.8 | 0 | 0 | 0 | 109.9 | L340 F341 V342 N407 S1190 L1191 | L340-D372 PolarHBondContact O-N 2.87Å; F341-D372 WeakPolarHBondContact CA-O 3.29Å; V342-D372 PolarHBondContact N-O 2.96Å; D372-N407 WeakPolarHBondContact OD1-CB 3.35Å; D372-N407 PolarHBondContact OD1-ND2 3.04Å; D372-S1190 VanDerWaalsContact OD2-CB 3.31Å; D372-S1190 WeakPolarHBondContact OD2-CB 3.47Å; D372-S1190 PolarHBondContact OD2-OG 2.89Å; D372-L1191 HydrophobicContact CB-CD2 4.06Å; D372-L1191 WeakPolarHBondContact OD2-CD2 3.43Å |
| 373 | L | 94.3 | Very high | 86.2 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.8 | 173.9 | 179.1 | 67.3 | 0 | 0 | 0 | 109.7 | V342 T344 Y350 P385 I406 N407 C408 S409 | V342-L373 HydrophobicContact CB-CD1 3.88Å; V342-L373 HydrophobicContact CG1-CD1 3.91Å; T344-L373 HydrophobicContact CG2-CD1 3.85Å; T344-L373 HydrophobicContact CG2-CG 4.38Å; Y350-L373 HydrophobicContact CE2-CD2 4.04Å; L373-P385 HydrophobicContact CD2-CB 4.13Å; L373-I406 HydrophobicContact CB-CG2 3.67Å; L373-I406 HydrophobicContact CD2-CG2 4.42Å; L373-N407 PolarHBondContact N-O 2.93Å; L373-C408 WeakPolarHBondContact O-CA 3.49Å; L373-S409 PolarHBondContact O-N 2.95Å |
| 374 | I | 94.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 109.2 | -178.9 | -71.8 | 149.3 | 0 | 0 | 0 | 110.1 | F199 F341 V342 T344 S409 F411 L1191 | F199-I374 HydrophobicContact CE2-CD1 4.23Å; F199-I374 HydrophobicContact CE2-CG2 4.48Å; F199-I374 HydrophobicContact CZ-CD1 4Å; F341-I374 HydrophobicContact CD2-CD1 3.93Å; F341-I374 HydrophobicContact CE1-CD1 4.44Å; F341-I374 HydrophobicContact CE2-CD1 3.11Å; F341-I374 HydrophobicContact CZ-CD1 3.41Å; F341-I374 VanDerWaalsContact CZ-CD1 3.41Å; V342-I374 PolarHBondContact O-N 3.3Å; T344-I374 PolarHBondContact N-O 3.08Å; I374-S409 WeakPolarHBondContact CA-O 3.25Å; I374-S409 WeakPolarHBondContact CG1-OG 3.48Å; I374-F411 HydrophobicContact CG2-CB 4.21Å; I374-L1191 HydrophobicContact CD1-CD1 3.89Å; I374-L1191 HydrophobicContact CD1-CD2 4.24Å |
| 375 | C | 93.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 131.9 | 173.8 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | T344 G346 S409 Y410 F411 | T344-C375 HydrophobicContact CG2-CB 4.2Å; T344-C375 WeakPolarHBondContact CG2-SG 3.22Å; G346-C375 WeakPolarHBondContact O-CB 3.29Å; G346-C375 PolarHBondContact O-SG 2.92Å; G346-C375 VanDerWaalsContact O-SG 3.4Å; C375-S409 PolarHBondContact N-O 3.05Å; C375-Y410 HydrophobicContact CB-CD1 3.46Å; C375-Y410 VanDerWaalsContact CB-CD1 3.46Å; C375-Y410 HydrophobicContact CB-CE1 3.27Å; C375-Y410 HydrophobicContact CB-CG 4.24Å; C375-Y410 WeakPolarHBondContact O-CA 3.39Å; C375-F411 PolarHBondContact O-N 3.33Å |
| 376 | L | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -90.2 | -23.9 | 174.3 | -55.5 | 170.8 | 0 | 0 | 0 | 112.4 | Y192 K195 A196 I343 T344 F411 | Y192-L376 HydrophobicContact CD1-CB 3.79Å; Y192-L376 HydrophobicContact CE1-CB 4.35Å; Y192-L376 WeakPolarHBondContact CE1-O 3.44Å; K195-L376 HydrophobicContact CD-CB 4.47Å; K195-L376 WeakPolarHBondContact CE-O 3.45Å; K195-L376 PolarHBondContact NZ-O 3.15Å; K195-L376 VanDerWaalsContact NZ-O 3.12Å; A196-L376 HydrophobicContact CB-CD1 3.71Å; I343-L376 HydrophobicContact CG2-CD1 3.75Å; I343-L376 HydrophobicContact CG2-CD2 4.25Å; I343-L376 HydrophobicContact CG2-CG 4.04Å; T344-L376 WeakPolarHBondContact O-CG 3.34Å; T344-L376 PolarHBondContact O-N 2.86Å; L376-F411 HydrophobicContact CD2-CB 4.27Å; L376-F411 HydrophobicContact CD2-CD1 4.15Å | ||
| 377 | A | 88.9 | Confident | 88.2 | Confident | 12 Ų | 12 | 23.3 Ų | 23.3 | 10% | 0.099 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -66.7 | 167.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y192 P345 Y410 | Y192-A377 HydrophobicContact CE1-CB 4.29Å; P345-A377 WeakPolarHBondContact O-CB 3.31Å; A377-Y410 WeakPolarHBondContact O-CD1 3.39Å |
| 378 | E | 83.7 | Confident | 88.9 | Confident | 39 Ų | 39 | 24.3 Ų | 24.3 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 148.1 | 171.4 | -74.6 | -173 | -143.5 | 0 | 0 | 112.3 | N187 P380 F426 | N187-E378 PolarHBondContact ND2-OE1 3.32Å; E378-P380 WeakPolarHBondContact O-CD 3.36Å; E378-F426 WeakPolarHBondContact OE1-CD1 3.12Å; E378-F426 WeakPolarHBondContact OE1-CE1 3.31Å |
| 379 | Q | 86.6 | Confident | 89.4 | Confident | 44 Ų | 44 | 24 Ų | 24 | 21% | 0.206 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -67.8 | 118.2 | 176.5 | -173.4 | -171 | 27.1 | 0 | 0 | 110.6 | Y410 R428 | Q379-Y410 HydrophobicContact CB-CD1 3.89Å; Q379-Y410 HydrophobicContact CB-CD2 4.09Å; Q379-Y410 HydrophobicContact CB-CE1 4.02Å; Q379-Y410 HydrophobicContact CB-CE2 4.22Å; Q379-Y410 HydrophobicContact CB-CG 3.95Å; Q379-Y410 HydrophobicContact CG-CD1 4.49Å; Q379-Y410 HydrophobicContact CG-CD2 3.98Å; Q379-Y410 HydrophobicContact CG-CE1 4.3Å; Q379-Y410 HydrophobicContact CG-CE2 3.78Å; Q379-Y410 HydrophobicContact CG-CG 4.36Å; Q379-R428 WeakPolarHBondContact O-CD 3.43Å; Q379-R428 PolarHBondContact O-NH1 3.26Å |
| 380 | P | 86.3 | Confident | 89.3 | Confident | 26 Ų | 26 | 25.6 Ų | 25.6 | 17% | 0.169 | 15% | 0.15 | C | C | . | . | trans | -69 | 178.6 | -179.8 | 31.8 | -36.9 | 0 | 0 | 0 | 111.9 | S347 E378 H382 V384 | S347-P380 WeakPolarHBondContact O-CD 3.36Å; E378-P380 WeakPolarHBondContact O-CD 3.36Å; P380-H382 WeakPolarHBondContact CB-NE2 3.4Å; P380-H382 WeakPolarHBondContact CG-NE2 3.17Å; P380-V384 HydrophobicContact CG-CG1 3.59Å | ||
| 381 | L | 86.1 | Confident | 88.4 | Confident | 97 Ų | 97 | 27.2 Ų | 27.2 | 51% | 0.508 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -87.1 | -20.6 | -179.7 | -62.4 | 178.7 | 0 | 0 | 0 | 113.7 | V429 V654 | L381-V429 HydrophobicContact CD1-CG2 4.05Å; L381-V654 HydrophobicContact CB-CG1 4.36Å; L381-V654 WeakPolarHBondContact O-CB 3.29Å; L381-V654 WeakPolarHBondContact O-CG2 3.44Å |
| 382 | H | 86.7 | Confident | 86.8 | Confident | 55 Ų | 55 | 34.9 Ų | 34.9 | 26% | 0.255 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -78.3 | 166.4 | 176.1 | 47.9 | -124.8 | 0 | 0 | 0 | 112.4 | V349 P380 L386 | V349-H382 VanDerWaalsContact CG2-NE2 3.26Å; V349-H382 WeakPolarHBondContact CG2-NE2 3.26Å; P380-H382 WeakPolarHBondContact CB-NE2 3.4Å; P380-H382 WeakPolarHBondContact CG-NE2 3.17Å; H382-L386 HydrophobicContact CB-CD2 4.08Å |
| 383 | A | 87.4 | Confident | 85 | Confident | 55 Ų | 55 | 37.5 Ų | 37.5 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | trans | -58.6 | 147.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L386 | A383-L386 HydrophobicContact CB-CD1 4.47Å; A383-L386 VanDerWaalsContact O-CD1 3.27Å; A383-L386 WeakPolarHBondContact O-CD1 3.38Å; A383-L386 VanDerWaalsContact O-CD2 3.31Å; A383-L386 WeakPolarHBondContact O-CD2 3.39Å | ||
| 384 | V | 88.2 | Confident | 82.9 | Confident | 37 Ų | 37 | 47.7 Ų | 47.7 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -145.3 | 143.5 | -177 | -73.2 | 0 | 0 | 0 | 0 | 109.9 | P380 Y410 | P380-V384 HydrophobicContact CG-CG1 3.59Å; V384-Y410 WeakPolarHBondContact CB-OH 3.46Å; V384-Y410 WeakPolarHBondContact CG1-OH 3.22Å; V384-Y410 HydrophobicContact CG2-CE2 3.89Å; V384-Y410 WeakPolarHBondContact CG2-OH 3.29Å |
| 385 | P | 91.8 | Very high | 80.9 | Confident | 9 Ų | 9 | 55 Ų | 55 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | S | Bend | cis | -76.9 | 167.9 | 0.1 | 30.6 | -26.9 | 0 | 0 | 0 | 112.6 | L373 P403 I406 C408 | L373-P385 HydrophobicContact CD2-CB 4.13Å; P385-P403 HydrophobicContact CG-CG 4.09Å; P385-P403 WeakPolarHBondContact O-CD 3.32Å; P385-I406 HydrophobicContact CG-CB 3.79Å; P385-I406 HydrophobicContact CG-CG2 3.9Å; P385-C408 HydrophobicContact CB-CB 4.04Å; P385-C408 HydrophobicContact CG-CB 3.91Å |
| 386 | L | 93.2 | Very high | 79 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 122.5 | -157.8 | -150.2 | 62.5 | 0 | 0 | 0 | 113.6 | G348 V349 Y350 H382 A383 A402 L651 | G348-L386 PolarHBondContact O-N 3Å; V349-L386 CarbonylContact C-O 3.56Å; V349-L386 WeakPolarHBondContact CA-O 3.42Å; V349-L386 HydrophobicContact CG2-CB 4.33Å; V349-L386 HydrophobicContact CG2-CD2 4.2Å; Y350-L386 PolarHBondContact N-O 3.36Å; H382-L386 HydrophobicContact CB-CD2 4.08Å; A383-L386 HydrophobicContact CB-CD1 4.47Å; A383-L386 VanDerWaalsContact O-CD1 3.27Å; A383-L386 WeakPolarHBondContact O-CD1 3.38Å; A383-L386 VanDerWaalsContact O-CD2 3.31Å; A383-L386 WeakPolarHBondContact O-CD2 3.39Å; L386-A402 HydrophobicContact CD1-CB 3.96Å; L386-L651 HydrophobicContact CD1-CB 4.27Å; L386-L651 HydrophobicContact CD1-CD2 3.67Å; L386-L651 HydrophobicContact CD1-CG 3.61Å; L386-L651 WeakPolarHBondContact CD1-O 3.17Å; L386-L651 HydrophobicContact CD2-CD2 3.43Å; L386-L651 VanDerWaalsContact CD2-CD2 3.43Å; L386-L651 HydrophobicContact CD2-CG 4.28Å; L386-L651 HydrophobicContact CG-CD1 4.48Å; L386-L651 HydrophobicContact CG-CD2 3.29Å; L386-L651 HydrophobicContact CG-CG 3.57Å |
| 387 | F | 94 | Very high | 77.4 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 100.8 | -162.7 | -78.2 | -3.5 | 0 | 0 | 0 | 113.4 | L313 L314 Y350 V352 L357 V401 P403 W405 I406 L651 | L313-F387 HydrophobicContact CD2-CE1 3.86Å; L313-F387 HydrophobicContact CD2-CZ 4.04Å; L314-F387 HydrophobicContact CD2-CE2 3.71Å; L314-F387 HydrophobicContact CD2-CZ 3.83Å; Y350-F387 HydrophobicContact CD2-CD1 4.14Å; Y350-F387 AromaticContact CD2-CE1 3.83Å; Y350-F387 HydrophobicContact CD2-CE1 3.83Å; Y350-F387 HydrophobicContact CG-CD1 4.49Å; Y350-F387 HydrophobicContact CG-CE1 4.29Å; Y350-F387 CarbonylContact O-C 3.51Å; Y350-F387 WeakPolarHBondContact O-CA 3.25Å; V352-F387 HydrophobicContact CG1-CB 4.34Å; V352-F387 HydrophobicContact CG1-CD1 4.22Å; V352-F387 HydrophobicContact CG1-CD2 4.38Å; V352-F387 HydrophobicContact CG1-CG 4.09Å; V352-F387 HydrophobicContact CG2-CB 3.92Å; V352-F387 HydrophobicContact CG2-CG 4.44Å; L357-F387 HydrophobicContact CD1-CD2 3.54Å; L357-F387 HydrophobicContact CD1-CE2 3.77Å; L357-F387 HydrophobicContact CD2-CD2 4.36Å; F387-V401 HydrophobicContact CB-CB 4.36Å; F387-V401 PolarHBondContact N-O 3.2Å; F387-V401 PolarHBondContact O-N 3.48Å; F387-P403 HydrophobicContact CD2-CB 4.28Å; F387-P403 HydrophobicContact CD2-CG 3.7Å; F387-P403 HydrophobicContact CE1-CG 4.43Å; F387-P403 HydrophobicContact CE2-CB 4.18Å; F387-P403 HydrophobicContact CE2-CG 3.61Å; F387-P403 HydrophobicContact CG-CG 4.18Å; F387-P403 HydrophobicContact CZ-CG 4.01Å; F387-W405 HydrophobicContact CE2-CH2 4.2Å; F387-W405 HydrophobicContact CE2-CZ2 4.04Å; F387-I406 HydrophobicContact CE1-CD1 4.34Å; F387-I406 HydrophobicContact CE2-CD1 4.13Å; F387-I406 HydrophobicContact CZ-CD1 3.52Å; F387-L651 WeakPolarHBondContact O-CD1 3.36Å |
| 388 | K | 91.6 | Very high | 76.4 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 22% | 0.222 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 118.5 | 178.7 | 175.4 | 173.1 | 161.5 | -177.5 | 0 | 110.1 | Y350 H351 V352 E398 E399 L651 | Y350-K388 PolarHBondContact O-N 3.3Å; H351-K388 CarbonylContact C-O 3.45Å; H351-K388 WeakPolarHBondContact CA-O 3.48Å; V352-K388 PolarHBondContact N-O 3.1Å; K388-E398 WeakPolarHBondContact CE-OE1 3.47Å; K388-E398 IonicContact NZ-OE1 2.8Å; K388-E398 PolarHBondContact NZ-OE1 2.97Å; K388-E399 CarbonylContact C-O 3.56Å; K388-L651 HydrophobicContact CB-CD1 3.95Å |
| 389 | I | 88.1 | Confident | 76.5 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 128.3 | 177.6 | -59.8 | -175.1 | 0 | 0 | 0 | 108.6 | V352 E354 L357 E399 V401 | V352-I389 HydrophobicContact CG2-CG1 4.26Å; V352-I389 WeakPolarHBondContact O-CA 3.13Å; E354-I389 HydrophobicContact CB-CD1 4.5Å; E354-I389 HydrophobicContact CB-CG2 3.93Å; E354-I389 HydrophobicContact CG-CD1 4.3Å; L357-I389 HydrophobicContact CD2-CD1 4.34Å; L357-I389 HydrophobicContact CD2-CG1 4.42Å; I389-E399 WeakPolarHBondContact CA-O 3.37Å; I389-E399 HydrophobicContact CB-CB 4.34Å; I389-E399 HydrophobicContact CD1-CG 4.07Å; I389-E399 PolarHBondContact N-O 3.36Å; I389-E399 VanDerWaalsContact O-O 3.1Å; I389-V401 HydrophobicContact CD1-CG2 3.79Å; I389-V401 HydrophobicContact CG1-CG2 4.4Å |
| 390 | L | 78.2 | Confident | 76.7 | Confident | 43 Ų | 43 | 71.4 Ų | 71.4 | 23% | 0.225 | 38% | 0.377 | C | S | . | . | trans | -90 | 111.2 | 169.3 | -58.5 | -176.2 | 0 | 0 | 0 | 108.6 | A242 H351 V352 | A242-L390 HydrophobicContact CB-CB 4.02Å; A242-L390 HydrophobicContact CB-CD1 4.13Å; H351-L390 HydrophobicContact CB-CD1 4.11Å; H351-L390 HydrophobicContact CB-CD2 4.42Å; H351-L390 HydrophobicContact CB-CG 4.26Å; V352-L390 PolarHBondContact O-N 3Å | ||
| 391 | S | 65.4 | Low | 76.9 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 49% | 0.49 | 38% | 0.378 | S | S | . | . | trans | -90.1 | 136.2 | 169.9 | -177 | 0 | 0 | 0 | 0 | 109.8 | S393 | S391-S393 PolarHBondContact O-N 3.01Å; S391-S393 PolarHBondContact OG-N 2.88Å; S391-S393 PolarHBondContact OG-OG 3.04Å | ||
| 392 | E | 59 | Low | 77.2 | Confident | 166 Ų | 166 | 68.3 Ų | 68.3 | 78% | 0.776 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -72.5 | -10.1 | 175.7 | -66.9 | 166.2 | -170.4 | 0 | 0 | 112.6 | ||
| 393 | S | 54.1 | Low | 77.3 | Confident | 61 Ų | 61 | 66 Ų | 66 | 43% | 0.427 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -107.6 | 117.4 | -179 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | S391 I395 | S391-S393 PolarHBondContact O-N 3.01Å; S391-S393 PolarHBondContact OG-N 2.88Å; S391-S393 PolarHBondContact OG-OG 3.04Å; S393-I395 PolarHBondContact O-N 2.98Å |
| 394 | F | 50.6 | Low | 77.3 | Confident | 218 Ų | 218 | 72.6 Ų | 72.6 | 96% | 0.956 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 10.5 | -179.2 | -73.4 | -86.2 | 0 | 0 | 0 | 116.8 | ||
| 395 | I | 53.1 | Low | 77.2 | Confident | 153 Ų | 153 | 72.7 Ų | 72.7 | 79% | 0.785 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -21.7 | -165.5 | -63.8 | 177 | 0 | 0 | 0 | 112.9 | S393 | S393-I395 PolarHBondContact O-N 2.98Š|
| 396 | N | 54.4 | Low | 77.2 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -96.8 | 146.9 | -178.9 | -74.1 | -14.8 | 0 | 0 | 0 | 112.5 | ||
| 397 | P | 57.2 | Low | 77 | Confident | 99 Ų | 99 | 76.2 Ų | 76.2 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | trans | -63.8 | 160.1 | 171.1 | 30.2 | -35.9 | 0 | 0 | 0 | 110.9 | E399 | P397-E399 PolarHBondContact O-N 3.13Š| ||
| 398 | E | 69.6 | Low | 76.9 | Confident | 105 Ų | 105 | 77.1 Ų | 77.1 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | trans | -55.3 | 114.1 | -177.6 | -58.8 | -168.6 | 132.2 | 0 | 0 | 112.2 | K388 Y400 | K388-E398 WeakPolarHBondContact CE-OE1 3.47Å; K388-E398 IonicContact NZ-OE1 2.8Å; K388-E398 PolarHBondContact NZ-OE1 2.97Å; E398-Y400 HydrophobicContact CB-CD1 3.92Å; E398-Y400 HydrophobicContact CB-CE1 3.38Å; E398-Y400 HydrophobicContact CG-CE1 4.4Å; E398-Y400 WeakPolarHBondContact O-CD1 3.41Å; E398-Y400 WeakPolarHBondContact O-CD2 3.44Å; E398-Y400 WeakPolarHBondContact OE2-CE1 3.21Å; E398-Y400 PolarHBondContact OE2-OH 3.38Å | ||
| 399 | E | 84.6 | Confident | 76.9 | Confident | 74 Ų | 74 | 75 Ų | 75 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | trans | -96.1 | 142.2 | 166.3 | -163.7 | 169.6 | 167.8 | 0 | 0 | 109.2 | K388 I389 P397 T649 | K388-E399 CarbonylContact C-O 3.56Å; I389-E399 WeakPolarHBondContact CA-O 3.37Å; I389-E399 HydrophobicContact CB-CB 4.34Å; I389-E399 HydrophobicContact CD1-CG 4.07Å; I389-E399 PolarHBondContact N-O 3.36Å; I389-E399 VanDerWaalsContact O-O 3.1Å; P397-E399 PolarHBondContact O-N 3.13Å; E399-T649 VanDerWaalsContact CD-CG2 3.46Å; E399-T649 HydrophobicContact CG-CG2 3.58Å; E399-T649 WeakPolarHBondContact OE1-CG2 3.44Å | ||
| 400 | Y | 90.5 | Very high | 77 | Confident | 48 Ų | 48 | 74.3 Ų | 74.3 | 19% | 0.188 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | 147.3 | 14.9 | -3.5 | -21.3 | 12.3 | 0 | 0 | 0 | 118.3 | E398 L650 L651 | E398-Y400 HydrophobicContact CB-CD1 3.92Å; E398-Y400 HydrophobicContact CB-CE1 3.38Å; E398-Y400 HydrophobicContact CG-CE1 4.4Å; E398-Y400 WeakPolarHBondContact O-CD1 3.41Å; E398-Y400 WeakPolarHBondContact O-CD2 3.44Å; E398-Y400 WeakPolarHBondContact OE2-CE1 3.21Å; E398-Y400 PolarHBondContact OE2-OH 3.38Å; Y400-L650 WeakPolarHBondContact CB-O 3.29Å; Y400-L650 CarbonylContact O-C 3.58Å; Y400-L650 WeakPolarHBondContact O-CA 3.41Å; Y400-L650 WeakPolarHBondContact O-CB 3.25Å; Y400-L651 HydrophobicContact CD1-CB 4.01Å; Y400-L651 HydrophobicContact CD1-CD1 3.5Å; Y400-L651 VanDerWaalsContact CD1-CD1 3.5Å; Y400-L651 HydrophobicContact CD1-CD2 4.22Å; Y400-L651 HydrophobicContact CD1-CG 4.13Å; Y400-L651 HydrophobicContact CD2-CB 3.83Å; Y400-L651 HydrophobicContact CE1-CD1 4.27Å; Y400-L651 HydrophobicContact CE1-CD2 4.42Å; Y400-L651 HydrophobicContact CG-CB 3.4Å; Y400-L651 VanDerWaalsContact CG-CB 3.4Å; Y400-L651 HydrophobicContact CG-CD1 3.82Å; Y400-L651 HydrophobicContact CG-CD2 4.36Å; Y400-L651 HydrophobicContact CG-CG 4.05Å; Y400-L651 PolarHBondContact O-N 3.09Å |
| 401 | V | 91.2 | Very high | 77.6 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 148.6 | 179.5 | 177.3 | 0 | 0 | 0 | 0 | 115.9 | L357 F387 I389 L651 | L357-V401 HydrophobicContact CD2-CB 3.86Å; L357-V401 HydrophobicContact CD2-CG1 3.96Å; L357-V401 HydrophobicContact CD2-CG2 3.9Å; F387-V401 HydrophobicContact CB-CB 4.36Å; F387-V401 PolarHBondContact N-O 3.2Å; F387-V401 PolarHBondContact O-N 3.48Å; I389-V401 HydrophobicContact CD1-CG2 3.79Å; I389-V401 HydrophobicContact CG1-CG2 4.4Å; V401-L651 WeakPolarHBondContact O-CG 3.37Å |
| 402 | A | 91.4 | Very high | 78.5 | Confident | 29 Ų | 29 | 72.3 Ų | 72.3 | 24% | 0.24 | 37% | 0.365 | C | S | . | . | trans | -125.3 | 114.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110 | L386 | L386-A402 HydrophobicContact CD1-CB 3.96Š| ||
| 403 | P | 90.4 | Very high | 79.4 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 5% | 0.045 | 33% | 0.331 | C | S | . | . | trans | -90.2 | 118.7 | -170.6 | 33.7 | -34.8 | 0 | 0 | 0 | 113.6 | P385 F387 W405 I406 | P385-P403 HydrophobicContact CG-CG 4.09Å; P385-P403 WeakPolarHBondContact O-CD 3.32Å; F387-P403 HydrophobicContact CD2-CB 4.28Å; F387-P403 HydrophobicContact CD2-CG 3.7Å; F387-P403 HydrophobicContact CE1-CG 4.43Å; F387-P403 HydrophobicContact CE2-CB 4.18Å; F387-P403 HydrophobicContact CE2-CG 3.61Å; F387-P403 HydrophobicContact CG-CG 4.18Å; F387-P403 HydrophobicContact CZ-CG 4.01Å; P403-W405 HydrophobicContact CB-CD2 4.27Å; P403-W405 HydrophobicContact CB-CG 4.43Å; P403-W405 HydrophobicContact CB-CZ2 4.05Å; P403-W405 PolarHBondContact O-N 3.44Å; P403-I406 HydrophobicContact CG-CD1 4.05Å; P403-I406 HydrophobicContact CG-CG1 4.37Å | ||
| 404 | H | 86.7 | Confident | 80.4 | Confident | 192 Ų | 192 | 65.5 Ų | 65.5 | 89% | 0.889 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -8.4 | 176.5 | -57.4 | -50.4 | 0 | 0 | 0 | 115.1 | ||
| 405 | W | 86.9 | Confident | 81.4 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1.1 | -178.4 | 53.4 | -96.9 | 0 | 0 | 0 | 113.7 | L314 L317 L357 T360 V364 F387 P403 | L314-W405 HydrophobicContact CD2-CH2 4.29Å; L317-W405 HydrophobicContact CD1-CH2 3.98Å; L317-W405 HydrophobicContact CD1-CZ3 3.9Å; L357-W405 HydrophobicContact CD1-CZ2 4.05Å; T360-W405 HydrophobicContact CG2-CH2 3.58Å; T360-W405 HydrophobicContact CG2-CZ2 4.27Å; T360-W405 HydrophobicContact CG2-CZ3 4.11Å; V364-W405 HydrophobicContact CB-CE3 4.24Å; V364-W405 HydrophobicContact CG1-CB 4.34Å; V364-W405 HydrophobicContact CG1-CD2 4.42Å; V364-W405 HydrophobicContact CG1-CE3 3.93Å; V364-W405 HydrophobicContact CG2-CE3 3.95Å; V364-W405 HydrophobicContact CG2-CZ3 3.93Å; F387-W405 HydrophobicContact CE2-CH2 4.2Å; F387-W405 HydrophobicContact CE2-CZ2 4.04Å; P403-W405 HydrophobicContact CB-CD2 4.27Å; P403-W405 HydrophobicContact CB-CG 4.43Å; P403-W405 HydrophobicContact CB-CZ2 4.05Å; P403-W405 PolarHBondContact O-N 3.44Å |
| 406 | I | 90.9 | Very high | 82.3 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -111.7 | 126.9 | 170.7 | -57.3 | -179.7 | 0 | 0 | 0 | 108.7 | L317 V371 L373 P385 F387 P403 | L317-I406 HydrophobicContact CD1-CD1 4.46Å; V371-I406 HydrophobicContact CB-CG1 4.46Å; V371-I406 HydrophobicContact CG1-CG1 4.23Å; V371-I406 HydrophobicContact CG1-CG2 4.25Å; L373-I406 HydrophobicContact CB-CG2 3.67Å; L373-I406 HydrophobicContact CD2-CG2 4.42Å; P385-I406 HydrophobicContact CG-CB 3.79Å; P385-I406 HydrophobicContact CG-CG2 3.9Å; F387-I406 HydrophobicContact CE1-CD1 4.34Å; F387-I406 HydrophobicContact CE2-CD1 4.13Å; F387-I406 HydrophobicContact CZ-CD1 3.52Å; P403-I406 HydrophobicContact CG-CD1 4.05Å; P403-I406 HydrophobicContact CG-CG1 4.37Å |
| 407 | N | 90.2 | Very high | 83.2 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 40% | 0.401 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 109.3 | 170.3 | -179.9 | 32.7 | 0 | 0 | 0 | 109.4 | V371 D372 L373 | V371-N407 PolarHBondContact O-N 2.97Å; D372-N407 WeakPolarHBondContact OD1-CB 3.35Å; D372-N407 PolarHBondContact OD1-ND2 3.04Å; L373-N407 PolarHBondContact N-O 2.93Å |
| 408 | C | 90.6 | Very high | 83.8 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 12% | 0.122 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.3 | -179.4 | -170.3 | 0 | 0 | 0 | 0 | 111.1 | L373 P385 | L373-C408 WeakPolarHBondContact O-CA 3.49Å; P385-C408 HydrophobicContact CB-CB 4.04Å; P385-C408 HydrophobicContact CG-CB 3.91Å |
| 409 | S | 91.6 | Very high | 83.8 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 161 | 179 | 75.3 | 0 | 0 | 0 | 0 | 112.1 | L373 I374 C375 | L373-S409 PolarHBondContact O-N 2.95Å; I374-S409 WeakPolarHBondContact CA-O 3.25Å; I374-S409 WeakPolarHBondContact CG1-OG 3.48Å; C375-S409 PolarHBondContact N-O 3.05Å |
| 410 | Y | 91.2 | Very high | 83.1 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.7 | -171.7 | -70.6 | -94.3 | 0 | 0 | 0 | 110.5 | S347 C375 A377 Q379 V384 V1184 G1185 V1186 | S347-Y410 PolarHBondContact O-OH 3.06Å; C375-Y410 HydrophobicContact CB-CD1 3.46Å; C375-Y410 VanDerWaalsContact CB-CD1 3.46Å; C375-Y410 HydrophobicContact CB-CE1 3.27Å; C375-Y410 HydrophobicContact CB-CG 4.24Å; C375-Y410 WeakPolarHBondContact O-CA 3.39Å; A377-Y410 WeakPolarHBondContact O-CD1 3.39Å; Q379-Y410 HydrophobicContact CB-CD1 3.89Å; Q379-Y410 HydrophobicContact CB-CD2 4.09Å; Q379-Y410 HydrophobicContact CB-CE1 4.02Å; Q379-Y410 HydrophobicContact CB-CE2 4.22Å; Q379-Y410 HydrophobicContact CB-CG 3.95Å; Q379-Y410 HydrophobicContact CG-CD1 4.49Å; Q379-Y410 HydrophobicContact CG-CD2 3.98Å; Q379-Y410 HydrophobicContact CG-CE1 4.3Å; Q379-Y410 HydrophobicContact CG-CE2 3.78Å; Q379-Y410 HydrophobicContact CG-CG 4.36Å; V384-Y410 WeakPolarHBondContact CB-OH 3.46Å; V384-Y410 WeakPolarHBondContact CG1-OH 3.22Å; V384-Y410 HydrophobicContact CG2-CE2 3.89Å; V384-Y410 WeakPolarHBondContact CG2-OH 3.29Å; Y410-V1184 HydrophobicContact CD2-CG1 3.86Å; Y410-G1185 WeakPolarHBondContact O-CA 3.38Å; Y410-V1186 PolarHBondContact O-N 3.48Å |
| 411 | F | 91 | Very high | 82.1 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | trans | -87.4 | 132.5 | 176.7 | 178.1 | -111.7 | 0 | 0 | 0 | 111.3 | K195 K198 F199 I374 C375 L376 V1186 W1188 | K195-F411 HydrophobicContact CG-CD1 3.97Å; K195-F411 HydrophobicContact CG-CE1 4.04Å; K195-F411 WeakPolarHBondContact O-CE1 3.38Å; K198-F411 HydrophobicContact CB-CE1 4.49Å; F199-F411 HydrophobicContact CB-CD1 3.84Å; F199-F411 HydrophobicContact CB-CD2 4.2Å; F199-F411 HydrophobicContact CB-CE1 3.79Å; F199-F411 HydrophobicContact CB-CE2 4.14Å; F199-F411 HydrophobicContact CB-CG 4.03Å; F199-F411 HydrophobicContact CB-CZ 3.94Å; F199-F411 HydrophobicContact CD2-CB 4.25Å; F199-F411 AromaticContact CD2-CD2 3.64Å; F199-F411 HydrophobicContact CD2-CD2 3.64Å; F199-F411 HydrophobicContact CD2-CE2 4.09Å; F199-F411 AromaticContact CD2-CG 3.89Å; F199-F411 HydrophobicContact CD2-CG 3.89Å; F199-F411 HydrophobicContact CG-CD2 4.4Å; F199-F411 HydrophobicContact CG-CG 4.4Å; I374-F411 HydrophobicContact CG2-CB 4.21Å; C375-F411 PolarHBondContact O-N 3.33Å; L376-F411 HydrophobicContact CD2-CB 4.27Å; L376-F411 HydrophobicContact CD2-CD1 4.15Å; F411-V1186 HydrophobicContact CB-CG2 3.97Å; F411-V1186 HydrophobicContact CD2-CG2 4.16Å; F411-W1188 HydrophobicContact CD2-CH2 4.14Å; F411-W1188 HydrophobicContact CD2-CZ2 4.15Å; F411-W1188 HydrophobicContact CE2-CH2 4.05Å; F411-W1188 HydrophobicContact CE2-CZ2 4.15Å | ||
| 412 | K | 84.4 | Confident | 81 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | trans | -117.1 | 136.1 | -176.3 | -72.8 | 168.5 | 178.1 | 161.1 | 0 | 111.8 | E416 L417 I420 V1184 | K412-E416 WeakPolarHBondContact CA-OE2 3.5Å; K412-E416 HydrophobicContact CB-CB 4.33Å; K412-L417 HydrophobicContact CB-CD2 4.18Å; K412-L417 HydrophobicContact CB-CG 4.18Å; K412-I420 HydrophobicContact CD-CD1 4.07Å; K412-V1184 PolarHBondContact NZ-O 2.83Å | ||
| 413 | S | 77.3 | Confident | 79.4 | Confident | 8 Ų | 8 | 58 Ų | 58 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | trans | -68.1 | 160.5 | 176.9 | 87 | 0 | 0 | 0 | 0 | 111.2 | Q415 E416 L417 | S413-Q415 PolarHBondContact O-N 3.36Å; S413-Q415 PolarHBondContact OG-N 3Å; S413-E416 PolarHBondContact N-OE2 2.89Å; S413-E416 PolarHBondContact O-N 3.03Å; S413-E416 WeakPolarHBondContact OG-CG 3.13Å; S413-E416 PolarHBondContact OG-N 2.82Å; S413-L417 WeakPolarHBondContact O-CG 3.03Å; S413-L417 PolarHBondContact O-N 3.37Å | ||
| 414 | A | 75.5 | Confident | 77.7 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 63% | 0.628 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.1 | -19.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | K418 | A414-K418 WeakPolarHBondContact O-CG 3.41Å |
| 415 | Q | 70.5 | Confident | 76.2 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -81.4 | -46.2 | 174.4 | -56.9 | -175.1 | 20.3 | 0 | 0 | 110.7 | S413 L417 K418 Y419 | S413-Q415 PolarHBondContact O-N 3.36Å; S413-Q415 PolarHBondContact OG-N 3Å; Q415-L417 VanDerWaalsContact C-N 3.29Å; Q415-L417 PolarHBondContact O-N 3.37Å; Q415-K418 PolarHBondContact O-N 3.04Å; Q415-K418 VanDerWaalsContact O-N 3.13Å; Q415-Y419 WeakPolarHBondContact O-CD2 3.36Å; Q415-Y419 PolarHBondContact O-N 2.95Å |
| 416 | E | 72.2 | Confident | 74.7 | Confident | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.033 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.5 | -42.8 | 175.8 | -71.5 | 168.3 | 166.8 | 0 | 0 | 111.7 | N188 K195 K412 S413 Y419 I420 F426 | N188-E416 WeakPolarHBondContact ND2-CG 3.47Å; N188-E416 PolarHBondContact ND2-OE1 3.09Å; N188-E416 WeakPolarHBondContact OD1-CG 3.5Å; K195-E416 IonicContact NZ-OE1 2.77Å; K195-E416 PolarHBondContact NZ-OE1 3.12Å; K195-E416 IonicContact NZ-OE2 3.32Å; K195-E416 PolarHBondContact NZ-OE2 3.33Å; K412-E416 WeakPolarHBondContact CA-OE2 3.5Å; K412-E416 HydrophobicContact CB-CB 4.33Å; S413-E416 PolarHBondContact N-OE2 2.89Å; S413-E416 PolarHBondContact O-N 3.03Å; S413-E416 WeakPolarHBondContact OG-CG 3.13Å; S413-E416 PolarHBondContact OG-N 2.82Å; E416-Y419 PolarHBondContact O-N 2.83Å; E416-I420 WeakPolarHBondContact O-CD1 3.44Å; E416-I420 VanDerWaalsContact O-CG1 3.25Å; E416-I420 WeakPolarHBondContact O-CG1 3.15Å; E416-I420 PolarHBondContact O-N 2.74Å; E416-F426 HydrophobicContact CB-CE2 4.29Å; E416-F426 HydrophobicContact CB-CZ 4.37Å; E416-F426 HydrophobicContact CG-CE1 4.35Å; E416-F426 HydrophobicContact CG-CE2 4.13Å; E416-F426 HydrophobicContact CG-CZ 3.71Å |
| 417 | L | 74.1 | Confident | 72.9 | Confident | 66 Ų | 66 | 64.8 Ų | 64.8 | 35% | 0.346 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 175.6 | -70.1 | 171 | 0 | 0 | 0 | 111.8 | K412 S413 Q415 Y419 I420 E421 | K412-L417 HydrophobicContact CB-CD2 4.18Å; K412-L417 HydrophobicContact CB-CG 4.18Å; S413-L417 WeakPolarHBondContact O-CG 3.03Å; S413-L417 PolarHBondContact O-N 3.37Å; Q415-L417 VanDerWaalsContact C-N 3.29Å; Q415-L417 PolarHBondContact O-N 3.37Å; L417-Y419 PolarHBondContact O-N 3.46Å; L417-I420 WeakPolarHBondContact O-CB 3.32Å; L417-I420 PolarHBondContact O-N 3.46Å; L417-I420 VanDerWaalsContact O-N 3.13Å; L417-E421 WeakPolarHBondContact O-CG 3.31Å; L417-E421 PolarHBondContact O-N 3.34Å |
| 418 | K | 69.8 | Low | 71.3 | Confident | 131 Ų | 131 | 67 Ų | 67 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.5 | -40.5 | 176.4 | -75.2 | -177.6 | 176.4 | -165.1 | 0 | 113 | A414 Q415 I420 E421 M422 | A414-K418 WeakPolarHBondContact O-CG 3.41Å; Q415-K418 PolarHBondContact O-N 3.04Å; Q415-K418 VanDerWaalsContact O-N 3.13Å; K418-I420 VanDerWaalsContact C-N 3.33Å; K418-I420 PolarHBondContact O-N 3.11Å; K418-E421 WeakPolarHBondContact CA-OE2 3.3Å; K418-E421 PolarHBondContact O-N 3.04Å; K418-M422 WeakPolarHBondContact O-CB 3.39Å; K418-M422 WeakPolarHBondContact O-CG 3.41Å; K418-M422 PolarHBondContact O-N 3.4Å |
| 419 | Y | 69.9 | Low | 69.3 | Low | 109 Ų | 109 | 70.5 Ų | 70.5 | 43% | 0.427 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 175.4 | -78.1 | -63.6 | 0 | 0 | 0 | 112.9 | Q415 E416 L417 G423 K424 F426 | Q415-Y419 WeakPolarHBondContact O-CD2 3.36Å; Q415-Y419 PolarHBondContact O-N 2.95Å; E416-Y419 PolarHBondContact O-N 2.83Å; L417-Y419 PolarHBondContact O-N 3.46Å; Y419-G423 PolarHBondContact O-N 3.4Å; Y419-K424 PolarHBondContact O-N 3.07Å; Y419-F426 AromaticContact CD2-CE2 4Å; Y419-F426 HydrophobicContact CD2-CE2 4Å; Y419-F426 HydrophobicContact CD2-CZ 4.4Å; Y419-F426 HydrophobicContact CG-CE2 4.12Å |
| 420 | I | 69.2 | Low | 67 | Low | 47 Ų | 47 | 78.1 Ų | 78.1 | 24% | 0.241 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -71 | -37 | 174.8 | -68.6 | 164.1 | 0 | 0 | 0 | 111.3 | K412 E416 L417 K418 G423 | K412-I420 HydrophobicContact CD-CD1 4.07Å; E416-I420 WeakPolarHBondContact O-CD1 3.44Å; E416-I420 VanDerWaalsContact O-CG1 3.25Å; E416-I420 WeakPolarHBondContact O-CG1 3.15Å; E416-I420 PolarHBondContact O-N 2.74Å; L417-I420 WeakPolarHBondContact O-CB 3.32Å; L417-I420 PolarHBondContact O-N 3.46Å; L417-I420 VanDerWaalsContact O-N 3.13Å; K418-I420 VanDerWaalsContact C-N 3.33Å; K418-I420 PolarHBondContact O-N 3.11Å; I420-G423 PolarHBondContact O-N 3.01Å |
| 421 | E | 69.6 | Low | 64.3 | Low | 68 Ų | 68 | 83.6 Ų | 83.6 | 32% | 0.318 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 173.3 | -72.2 | 160.7 | 168.9 | 0 | 0 | 111.1 | L417 K418 G423 T918 | L417-E421 WeakPolarHBondContact O-CG 3.31Å; L417-E421 PolarHBondContact O-N 3.34Å; K418-E421 WeakPolarHBondContact CA-OE2 3.3Å; K418-E421 PolarHBondContact O-N 3.04Å; E421-G423 PolarHBondContact O-N 2.92Å; E421-T918 VanDerWaalsContact OE1-CB 3.24Å; E421-T918 WeakPolarHBondContact OE1-CB 3.39Å; E421-T918 PolarHBondContact OE1-OG1 3.22Å |
| 422 | M | 68 | Low | 61.5 | Low | 126 Ų | 126 | 87.6 Ų | 87.6 | 62% | 0.621 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 6.4 | 170 | -68.2 | 175.4 | -170.6 | 0 | 0 | 114.5 | K418 K424 | K418-M422 WeakPolarHBondContact O-CB 3.39Å; K418-M422 WeakPolarHBondContact O-CG 3.41Å; K418-M422 PolarHBondContact O-N 3.4Å; M422-K424 PolarHBondContact O-N 3.39Å; M422-K424 VanDerWaalsContact O-N 3.11Å |
| 423 | G | 57.3 | Low | 58.7 | Low | 65 Ų | 65 | 89.3 Ų | 89.3 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 10.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y419 I420 E421 | Y419-G423 PolarHBondContact O-N 3.4Å; I420-G423 PolarHBondContact O-N 3.01Å; E421-G423 PolarHBondContact O-N 2.92Å |
| 424 | K | 55.7 | Low | 56.2 | Low | 127 Ų | 127 | 97.3 Ų | 97.3 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -82 | 130.4 | -178.6 | -69.9 | -179.4 | 179.3 | 175.7 | 0 | 110.4 | Y419 M422 F426 | Y419-K424 PolarHBondContact O-N 3.07Å; M422-K424 PolarHBondContact O-N 3.39Å; M422-K424 VanDerWaalsContact O-N 3.11Å; K424-F426 PolarHBondContact O-N 3.32Å |
| 425 | P | 54.4 | Low | 53.8 | Low | 123 Ų | 123 | 102.5 Ų | 102.5 | 80% | 0.799 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 122 | 176.7 | 27.8 | -33.2 | 0 | 0 | 0 | 110.2 | ||
| 426 | F | 55.2 | Low | 51.7 | Low | 50 Ų | 50 | 105.4 Ų | 105.4 | 22% | 0.219 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 130.7 | 175.5 | -125.8 | -92 | 0 | 0 | 0 | 110.5 | N188 E378 E416 Y419 K424 R428 | N188-F426 WeakPolarHBondContact OD1-CZ 3.34Å; E378-F426 WeakPolarHBondContact OE1-CD1 3.12Å; E378-F426 WeakPolarHBondContact OE1-CE1 3.31Å; E416-F426 HydrophobicContact CB-CE2 4.29Å; E416-F426 HydrophobicContact CB-CZ 4.37Å; E416-F426 HydrophobicContact CG-CE1 4.35Å; E416-F426 HydrophobicContact CG-CE2 4.13Å; E416-F426 HydrophobicContact CG-CZ 3.71Å; Y419-F426 AromaticContact CD2-CE2 4Å; Y419-F426 HydrophobicContact CD2-CE2 4Å; Y419-F426 HydrophobicContact CD2-CZ 4.4Å; Y419-F426 HydrophobicContact CG-CE2 4.12Å; K424-F426 PolarHBondContact O-N 3.32Å; F426-R428 VanDerWaalsContact C-N 3.31Å; F426-R428 PolarHBondContact O-N 2.8Å |
| 427 | P | 52.4 | Low | 49.5 | Very low | 91 Ų | 91 | 110.2 Ų | 110.2 | 59% | 0.591 | 58% | 0.576 | S | S | * | * | trans | -79.4 | 74.4 | -174.3 | 33.2 | -36.6 | 0 | 0 | 0 | 111.9 | V429 | P427-V429 PolarHBondContact O-N 3.3Š| ||
| 428 | R | 58.2 | Low | 47.1 | Very low | 122 Ų | 122 | 112.6 Ų | 112.6 | 46% | 0.46 | 59% | 0.589 | S | S | . | * | trans | -59.5 | -1.1 | -177.8 | -53.4 | -169.5 | -168.7 | -157.2 | 9.2 | 116.1 | Q379 F426 | Q379-R428 WeakPolarHBondContact O-CD 3.43Å; Q379-R428 PolarHBondContact O-NH1 3.26Å; F426-R428 VanDerWaalsContact C-N 3.31Å; F426-R428 PolarHBondContact O-N 2.8Å | ||
| 429 | V | 47.6 | Very low | 45.2 | Very low | 92 Ų | 92 | 113.8 Ų | 113.8 | 56% | 0.558 | 60% | 0.602 | S | S | * | * | trans | -134.3 | 94.8 | 179.1 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | L381 P427 V431 | L381-V429 HydrophobicContact CD1-CG2 4.05Å; P427-V429 PolarHBondContact O-N 3.3Å; V429-V431 VanDerWaalsContact C-N 3.35Å; V429-V431 HydrophobicContact CG1-CG2 3.89Å; V429-V431 PolarHBondContact O-N 3.47Å; V429-V431 VanDerWaalsContact O-N 3.11Å | ||
| 430 | K | 43.8 | Very low | 43.2 | Very low | 166 Ų | 166 | 114.6 Ų | 114.6 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | trans | -77.9 | 88.7 | 164.6 | -169 | 174.2 | -172.6 | 174 | 0 | 108.2 | V432 | K430-V432 PolarHBondContact O-N 2.87Š| ||
| 431 | V | 34.6 | Very low | 41.1 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 71% | 0.709 | 64% | 0.64 | S | S | * | * | trans | -60.6 | 108.5 | 168.1 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | V429 S433 | V429-V431 VanDerWaalsContact C-N 3.35Å; V429-V431 HydrophobicContact CG1-CG2 3.89Å; V429-V431 PolarHBondContact O-N 3.47Å; V429-V431 VanDerWaalsContact O-N 3.11Å; V431-S433 PolarHBondContact O-N 2.86Å | ||
| 432 | V | 32.4 | Very low | 38.9 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | trans | -66.8 | 101.2 | 169.4 | 179.1 | 0 | 0 | 0 | 0 | 106.5 | K430 F434 | K430-V432 PolarHBondContact O-N 2.87Å; V432-F434 HydrophobicContact CB-CD2 4.35Å; V432-F434 HydrophobicContact CB-CE2 4.16Å; V432-F434 HydrophobicContact CG1-CD2 3.88Å; V432-F434 HydrophobicContact CG1-CE2 3.65Å; V432-F434 HydrophobicContact CG1-CZ 4.13Å; V432-F434 PolarHBondContact O-N 3.41Å | ||
| 433 | S | 24.4 | Very low | 36.8 | Very low | 94 Ų | 94 | 120.5 Ų | 120.5 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | trans | -70.7 | 86 | 175.8 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | V431 K435 | V431-S433 PolarHBondContact O-N 2.86Å; S433-K435 PolarHBondContact O-N 3.06Å | ||
| 434 | F | 25.4 | Very low | 35.3 | Very low | 175 Ų | 175 | 123.1 Ų | 123.1 | 77% | 0.768 | 67% | 0.67 | S | S | * | * | trans | -63.7 | 86.9 | 161.6 | -76.5 | -82.3 | 0 | 0 | 0 | 108.2 | V432 H436 | V432-F434 HydrophobicContact CB-CD2 4.35Å; V432-F434 HydrophobicContact CB-CE2 4.16Å; V432-F434 HydrophobicContact CG1-CD2 3.88Å; V432-F434 HydrophobicContact CG1-CE2 3.65Å; V432-F434 HydrophobicContact CG1-CZ 4.13Å; V432-F434 PolarHBondContact O-N 3.41Å; F434-H436 PolarHBondContact O-N 3.17Å | ||
| 435 | K | 25.9 | Very low | 33.6 | Very low | 186 Ų | 186 | 127 Ų | 127 | 81% | 0.809 | 69% | 0.687 | S | S | * | * | trans | -67.1 | 81.5 | 160.8 | -80.4 | -168.2 | 172.7 | -173.2 | 0 | 108.3 | S433 S437 | S433-K435 PolarHBondContact O-N 3.06Å; K435-S437 VanDerWaalsContact C-N 3.28Å; K435-S437 PolarHBondContact O-N 3.36Å | ||
| 436 | H | 24.7 | Very low | 32.2 | Very low | 155 Ų | 155 | 130 Ų | 130 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | -67 | 95.5 | 157 | -105.8 | -61.4 | 0 | 0 | 0 | 107.8 | F434 N438 | F434-H436 PolarHBondContact O-N 3.17Å; H436-N438 PolarHBondContact O-N 3.34Å | ||
| 437 | S | 26.3 | Very low | 30.8 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | -69.3 | 109 | 143.9 | 50.5 | 0 | 0 | 0 | 0 | 106.8 | K435 | K435-S437 VanDerWaalsContact C-N 3.28Å; K435-S437 PolarHBondContact O-N 3.36Å | ||
| 438 | N | 25 | Very low | 29.5 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | trans | -62.1 | 155.4 | 153.6 | -53.8 | -30.7 | 0 | 0 | 0 | 106.6 | H436 | H436-N438 PolarHBondContact O-N 3.34Š| ||
| 439 | D | 28.5 | Very low | 27.8 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | -120.7 | 156.8 | 53.8 | -66.5 | -48.7 | 0 | 0 | 0 | 117.2 | |||||
| 440 | V | 27.9 | Very low | 27.1 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 76% | 0.758 | 74% | 0.742 | S | S | * | * | trans | -135 | 139.6 | 166.9 | 170.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 441 | P | 26.6 | Very low | 26.1 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | trans | -115.3 | 116.9 | 149.9 | -3.2 | 24.1 | 0 | 0 | 0 | 112.4 | ||||
| 442 | I | 23.1 | Very low | 25.7 | Very low | 153 Ų | 153 | 143 Ų | 143 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | 48.8 | 104.4 | 127.1 | -53.1 | 158.2 | 0 | 0 | 0 | 115.1 | |||||
| 443 | S | 23.7 | Very low | 25.3 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | -166.8 | 145.7 | 80.5 | 26.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 444 | T | 25 | Very low | 25.2 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | 29.9 | 115.4 | 151.4 | 55.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 445 | F | 21.4 | Very low | 25.1 | Very low | 209 Ų | 209 | 148.7 Ų | 148.7 | 92% | 0.917 | 76% | 0.756 | S | S | * | * | -122 | 125.3 | 120.8 | -113.9 | -85.2 | 0 | 0 | 0 | 108.1 | |||||
| 446 | F | 24.9 | Very low | 24.9 | Very low | 186 Ų | 186 | 144.3 Ų | 144.3 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | -144.6 | 156.5 | 169.7 | -119.4 | -79.9 | 0 | 0 | 0 | 107 | ||||
| 447 | E | 26.2 | Very low | 24.8 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | trans | 75.3 | 93.3 | 168.8 | -52.7 | -132.8 | 83 | 0 | 0 | 119.2 | ||||
| 448 | N | 25 | Very low | 24.7 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | 58.5 | 112.9 | 102.7 | -55 | -27.5 | 0 | 0 | 0 | 121.1 | |||||
| 449 | L | 21.8 | Very low | 24.7 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | trans | 64.5 | 150.4 | 134.7 | -67.7 | 166.5 | 0 | 0 | 0 | 120.8 | ||||
| 450 | P | 33.2 | Very low | 24.4 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -108.9 | 146.2 | -172.5 | 39.1 | -31.6 | 0 | 0 | 0 | 115.3 | ||||
| 451 | R | 23.1 | Very low | 24.2 | Very low | 221 Ų | 221 | 144.9 Ų | 144.9 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | 175.1 | 136.9 | 108.5 | -94.8 | -175.1 | 179.4 | 167.5 | 1.1 | 114.1 | |||||
| 452 | D | 24.6 | Very low | 24.2 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | 22.1 | 125.7 | 140.8 | -41.8 | -44.6 | 0 | 0 | 0 | 120.5 | ||||
| 453 | D | 24 | Very low | 24.2 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | -161.3 | 135.7 | 100.8 | -127.3 | -24.5 | 0 | 0 | 0 | 115.6 | |||||
| 454 | R | 23.1 | Very low | 24.7 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 73% | 0.725 | 74% | 0.738 | S | S | * | * | trans | 57.4 | 133 | 150.3 | -80.8 | 162.9 | -118 | -162.7 | 6 | 125.2 | ||||
| 455 | Q | 23.1 | Very low | 24.7 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | 72.3 | 144.5 | 142.7 | -69.6 | 171.5 | -28 | 0 | 0 | 119.1 | ||||
| 456 | S | 21.8 | Very low | 25.2 | Very low | 95 Ų | 95 | 147.6 Ų | 147.6 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | cis | -166.9 | 154.4 | -12.9 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 457 | D | 23.5 | Very low | 25.2 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | 70.7 | 118.2 | 141.2 | -76.2 | 26.8 | 0 | 0 | 0 | 124.6 | ||||
| 458 | N | 23.8 | Very low | 25.3 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | 89.5 | 124.5 | 124 | -79.6 | -49.1 | 0 | 0 | 0 | 124.4 | |||||
| 459 | Q | 25 | Very low | 25.4 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | trans | 72.4 | 158.5 | 132.6 | -68.7 | 168 | 36.8 | 0 | 0 | 120.6 | ||||
| 460 | Q | 22.7 | Very low | 25.7 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | cis | -173.2 | 159.7 | -39.1 | -139.9 | 173.6 | -5.2 | 0 | 0 | 108.9 | ||||
| 461 | T | 22.4 | Very low | 25.5 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | 63.5 | 159.3 | 160.5 | 56.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 462 | N | 26.5 | Very low | 25.7 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | cis | -158.3 | 133.2 | -13.7 | -102.4 | -12.7 | 0 | 0 | 0 | 112.4 | ||||
| 463 | V | 24.6 | Very low | 26.1 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 79% | 0.788 | 72% | 0.716 | S | S | * | * | 15.9 | 148.5 | 120.5 | 173.7 | 0 | 0 | 0 | 0 | 119 | |||||
| 464 | P | 33.9 | Very low | 26.3 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | cis | -145 | 170.8 | 20.7 | 29.8 | -4.6 | 0 | 0 | 0 | 121.4 | ||||
| 465 | K | 24.9 | Very low | 26.3 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | trans | 61.3 | 159.2 | 142.1 | -72.6 | 174.6 | -178.3 | -175 | 0 | 120.3 | ||||
| 466 | E | 30.9 | Very low | 26.4 | Very low | 190 Ų | 190 | 131 Ų | 131 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | cis | -119.7 | -176.3 | 19.6 | -59.5 | -172.7 | 127 | 0 | 0 | 115.7 | ||||
| 467 | N | 25.8 | Very low | 26.6 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | trans | -82.2 | 164 | -174.6 | -70.4 | 25.1 | 0 | 0 | 0 | 112.1 | D469 | N467-D469 WeakPolarHBondContact CB-OD2 3.48Å; N467-D469 PolarHBondContact ND2-OD1 3.4Å; N467-D469 VanDerWaalsContact ND2-OD1 3.15Å; N467-D469 PolarHBondContact ND2-OD2 3.37Å | ||
| 468 | C | 27.8 | Very low | 26.5 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 81% | 0.811 | 74% | 0.735 | S | S | * | * | cis | -151 | 166.6 | 39.2 | -71.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 469 | D | 27.2 | Very low | 26.6 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | cis | -169.5 | -153.9 | -32.3 | -95.5 | -29.6 | 0 | 0 | 0 | 106.8 | N467 | N467-D469 WeakPolarHBondContact CB-OD2 3.48Å; N467-D469 PolarHBondContact ND2-OD1 3.4Å; N467-D469 VanDerWaalsContact ND2-OD1 3.15Å; N467-D469 PolarHBondContact ND2-OD2 3.37Å | ||
| 470 | D | 27.5 | Very low | 26.7 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 49.7 | 97.9 | 172.2 | -77.8 | 10.4 | 0 | 0 | 0 | 120.4 | ||
| 471 | T | 28.4 | Very low | 26.9 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 57% | 0.571 | 75% | 0.747 | S | S | * | * | trans | 80.3 | 43.2 | 150.2 | 70.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 472 | I | 27.4 | Very low | 27.1 | Very low | 160 Ų | 160 | 135.6 Ų | 135.6 | 82% | 0.821 | 76% | 0.755 | S | S | * | * | 38.9 | 140.5 | 100.7 | -85.2 | 171.2 | 0 | 0 | 0 | 119 | |||||
| 473 | P | 34.8 | Very low | 27.2 | Very low | 102 Ų | 102 | 134 Ų | 134 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | -136.8 | -160.8 | -121 | 45 | -29.6 | 0 | 0 | 0 | 114.3 | |||||
| 474 | T | 27.8 | Very low | 27.2 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | trans | -158.3 | 152.2 | 132.9 | 3.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 475 | T | 23.6 | Very low | 26.8 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | trans | -117.4 | 162.9 | -170.9 | 46.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 476 | T | 23.2 | Very low | 26.9 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 141.1 | 167.5 | 133.9 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 477 | S | 26.9 | Very low | 26.7 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | 69.1 | 85.3 | 177.8 | 67.5 | 0 | 0 | 0 | 0 | 117.2 | T479 | S477-T479 PolarHBondContact O-N 3.44Š| ||
| 478 | I | 22.5 | Very low | 26.6 | Very low | 162 Ų | 162 | 135 Ų | 135 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -68 | 113.7 | 161.2 | -64.1 | 169.4 | 0 | 0 | 0 | 108.2 | I480 | I478-I480 HydrophobicContact CG2-CG1 4.39Š| ||
| 479 | T | 24.1 | Very low | 26.4 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | trans | -139.6 | 102.7 | 168.7 | -23.2 | 0 | 0 | 0 | 0 | 108.5 | S477 T481 | S477-T479 PolarHBondContact O-N 3.44Å; T479-T481 PolarHBondContact O-N 3.4Å | ||
| 480 | I | 27.5 | Very low | 26.5 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | trans | -78.6 | 97.7 | -175.4 | -61.7 | -179.9 | 0 | 0 | 0 | 109.3 | I478 | I478-I480 HydrophobicContact CG2-CG1 4.39Š| ||
| 481 | T | 27.2 | Very low | 26.2 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -69.2 | 133.8 | -178.7 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | T479 | T479-T481 PolarHBondContact O-N 3.4Š| ||
| 482 | K | 26.6 | Very low | 26.1 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -75.2 | 136.2 | 172.9 | -80.8 | -175.8 | 175.2 | 176.3 | 0 | 112.7 | ||||
| 483 | S | 28 | Very low | 26 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 43.6 | 98.1 | 147.8 | 60.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 484 | S | 24.4 | Very low | 25.5 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -42.8 | 145.1 | 155.3 | 52.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 485 | L | 26.7 | Very low | 25.4 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -122.3 | 150.2 | 152 | -81.2 | 171.1 | 0 | 0 | 0 | 109.7 | ||||
| 486 | P | 27 | Very low | 25.3 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | trans | -81.9 | 126.6 | -161.4 | 30.3 | -35.3 | 0 | 0 | 0 | 114.1 | Y488 | P486-Y488 PolarHBondContact O-N 3.33Š| ||
| 487 | I | 25.4 | Very low | 25.3 | Very low | 157 Ų | 157 | 148.6 Ų | 148.6 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 100.2 | 169.7 | -56.5 | 174 | 0 | 0 | 0 | 109.1 | R489 | I487-R489 HydrophobicContact CG2-CB 4.27Å; I487-R489 PolarHBondContact O-N 3.02Å | ||
| 488 | Y | 25.4 | Very low | 25.3 | Very low | 207 Ų | 207 | 149.7 Ų | 149.7 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -76.6 | 77.2 | 166.3 | -100.1 | -79 | 0 | 0 | 0 | 111 | P486 I490 | P486-Y488 PolarHBondContact O-N 3.33Å; Y488-I490 VanDerWaalsContact C-N 3.3Å; Y488-I490 PolarHBondContact O-N 3.27Å | ||
| 489 | R | 23.5 | Very low | 25.3 | Very low | 228 Ų | 228 | 147 Ų | 147 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -69.8 | 85.4 | 167.9 | -179.5 | -168.9 | -94.6 | -175.2 | -6.7 | 108.8 | I487 A491 | I487-R489 HydrophobicContact CG2-CB 4.27Å; I487-R489 PolarHBondContact O-N 3.02Å; R489-A491 PolarHBondContact O-N 2.87Å | ||
| 490 | I | 28.2 | Very low | 25.4 | Very low | 135 Ų | 135 | 149 Ų | 149 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69 | 124.8 | 168.2 | -63.4 | -179.3 | 0 | 0 | 0 | 108 | Y488 Y492 | Y488-I490 VanDerWaalsContact C-N 3.3Å; Y488-I490 PolarHBondContact O-N 3.27Å; I490-Y492 PolarHBondContact O-N 3.12Å |
| 491 | A | 22.5 | Very low | 25.3 | Very low | 88 Ų | 88 | 149 Ų | 149 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 120.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R489 | R489-A491 PolarHBondContact O-N 2.87Š|
| 492 | Y | 26.3 | Very low | 25.3 | Very low | 213 Ų | 213 | 148.4 Ų | 148.4 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 132 | 157.3 | -74.9 | -84.5 | 0 | 0 | 0 | 108.9 | I490 S494 | I490-Y492 PolarHBondContact O-N 3.12Å; Y492-S494 PolarHBondContact O-N 2.83Å |
| 493 | P | 24.9 | Very low | 25.4 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 130.7 | 176.8 | 27.6 | -33.5 | 0 | 0 | 0 | 110.2 | Y495 | P493-Y495 PolarHBondContact O-N 2.98Š|
| 494 | S | 23 | Very low | 25.3 | Very low | 106 Ų | 106 | 154.3 Ų | 154.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -73.2 | 110.5 | -175.7 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | Y492 Q496 | Y492-S494 PolarHBondContact O-N 2.83Å; S494-Q496 PolarHBondContact O-N 3.23Å | ||
| 495 | Y | 25.7 | Very low | 25.3 | Very low | 233 Ų | 233 | 158.9 Ų | 158.9 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | trans | -90.4 | 90.9 | 157.2 | -98.6 | -85.4 | 0 | 0 | 0 | 109.7 | P493 | P493-Y495 PolarHBondContact O-N 2.98Š| ||
| 496 | Q | 23.1 | Very low | 25.2 | Very low | 168 Ų | 168 | 161.2 Ų | 161.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 118.2 | 161.9 | -72.4 | -177.6 | -33.9 | 0 | 0 | 108.7 | S494 | S494-Q496 PolarHBondContact O-N 3.23Š|
| 497 | S | 23.5 | Very low | 24.9 | Very low | 118 Ų | 118 | 160.6 Ų | 160.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 125.8 | 155 | 39.5 | 0 | 0 | 0 | 0 | 108.1 | ||
| 498 | P | 25 | Very low | 24.9 | Very low | 125 Ų | 125 | 160.4 Ų | 160.4 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 138 | -168.4 | 33.3 | -34.5 | 0 | 0 | 0 | 113.2 | ||
| 499 | S | 24 | Very low | 24.9 | Very low | 106 Ų | 106 | 157.4 Ų | 157.4 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -148 | 128.7 | 150.6 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 500 | N | 26.3 | Very low | 24.8 | Very low | 153 Ų | 153 | 154.2 Ų | 154.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 58.7 | 67.4 | 154.8 | -59.7 | -5.8 | 0 | 0 | 0 | 118.7 | ||||
| 501 | Q | 24.5 | Very low | 25.2 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 21.7 | 149 | 114.9 | -54.6 | -173 | 4.4 | 0 | 0 | 120.9 | |||||
| 502 | N | 26.5 | Very low | 25.3 | Very low | 116 Ų | 116 | 155.6 Ų | 155.6 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | trans | 92.6 | 129 | 155.5 | -57.6 | -56.1 | 0 | 0 | 0 | 116.6 | ||||
| 503 | K | 28.9 | Very low | 25.1 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | cis | -146.6 | 152.2 | -2.1 | -120.1 | 151.6 | -168.5 | 162 | 0 | 112.4 | ||||
| 504 | R | 26 | Very low | 25.1 | Very low | 241 Ų | 241 | 153.8 Ų | 153.8 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -28.4 | 137.7 | -178.2 | -67.5 | 170.5 | 166.4 | 157.6 | -6.4 | 116.3 | K506 | R504-K506 PolarHBondContact O-N 3.22Š| ||
| 505 | K | 24 | Very low | 25.3 | Very low | 213 Ų | 213 | 155.7 Ų | 155.7 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | -56.5 | 116.2 | 157.6 | -81.5 | -170.6 | 175.5 | -175.3 | 0 | 110.7 | ||||
| 506 | K | 24.5 | Very low | 25.2 | Very low | 208 Ų | 208 | 150.3 Ų | 150.3 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | -80.1 | 175.5 | 128.6 | -84.5 | -169.2 | 172 | -172.7 | 0 | 108.6 | R504 | R504-K506 PolarHBondContact O-N 3.22Š| |||
| 507 | S | 22.5 | Very low | 25.3 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -111.8 | 173.4 | -154.4 | 44.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 508 | H | 25 | Very low | 25.3 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 70% | 0.704 | 78% | 0.775 | S | S | * | * | trans | 81 | 111.8 | 162.4 | -62 | -66.3 | 0 | 0 | 0 | 121.4 | ||||
| 509 | Q | 23.8 | Very low | 25.3 | Very low | 144 Ų | 144 | 148 Ų | 148 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | 66.1 | 164.4 | 113.4 | -110.7 | 147.8 | -54.5 | 0 | 0 | 123.1 | |||||
| 510 | L | 22.7 | Very low | 25.4 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -100.1 | 167.1 | -179.7 | -81.3 | 157.6 | 0 | 0 | 0 | 111.1 | ||||
| 511 | P | 36.4 | Very low | 25.4 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | trans | -116.1 | 166.9 | -152.3 | 42.5 | -35.5 | 0 | 0 | 0 | 116.7 | ||||
| 512 | N | 24.5 | Very low | 25.2 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | 179.2 | 154.7 | 130.7 | -86.3 | -9.6 | 0 | 0 | 0 | 107 | ||||
| 513 | E | 21.4 | Very low | 25.2 | Very low | 173 Ų | 173 | 147.2 Ų | 147.2 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | cis | -145.1 | -151 | 11.6 | -151.6 | 175.5 | -122.3 | 0 | 0 | 110.8 | ||||
| 514 | V | 26.6 | Very low | 24.9 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | trans | 78.6 | 85.1 | 172.1 | -166.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 515 | I | 25.4 | Very low | 24.7 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 47.4 | 110.5 | 117 | -56.9 | 162.2 | 0 | 0 | 0 | 119.3 | |||||
| 516 | S | 23.4 | Very low | 24.8 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | 59.6 | 132 | 151.4 | 74.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 517 | G | 25.6 | Very low | 24.6 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | cis | 152.2 | -166.3 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 518 | N | 23.9 | Very low | 24.6 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | 69.4 | 131.7 | 159.7 | -96 | -1.4 | 0 | 0 | 0 | 120.5 | ||||
| 519 | L | 25.2 | Very low | 24.5 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | trans | 65.5 | 143.6 | 159.4 | -77.5 | 83.2 | 0 | 0 | 0 | 117.2 | ||||
| 520 | T | 26.1 | Very low | 24.4 | Very low | 97 Ų | 97 | 135 Ų | 135 | 60% | 0.595 | 75% | 0.749 | S | S | * | * | cis | -168.7 | 151.9 | -14 | 16.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 521 | K | 25.8 | Very low | 24.5 | Very low | 186 Ų | 186 | 133 Ų | 133 | 81% | 0.809 | 75% | 0.747 | S | S | * | * | trans | 61.7 | 159.4 | 144.2 | -70.7 | 170.7 | -176.9 | -177.5 | 0 | 117.6 | ||||
| 522 | S | 21.3 | Very low | 23.8 | Very low | 83 Ų | 83 | 133.5 Ų | 133.5 | 58% | 0.58 | 75% | 0.753 | S | S | * | * | cis | -177 | 171.3 | -23.8 | 51.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 523 | H | 26.3 | Very low | 24.1 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | 71.2 | 102.4 | 161.6 | -65.2 | -63.5 | 0 | 0 | 0 | 119.7 | ||||
| 524 | D | 21.9 | Very low | 24.3 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | 72.8 | 156.1 | 106 | -53.2 | -11.7 | 0 | 0 | 0 | 123.6 | |||||
| 525 | S | 21.1 | Very low | 24.2 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | trans | -86.7 | 154.2 | -170.2 | 52.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 526 | I | 26.4 | Very low | 24.4 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -170.4 | 119.4 | 148.3 | -97 | 143.7 | 0 | 0 | 0 | 104.9 | ||||
| 527 | T | 21.6 | Very low | 24.4 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 71% | 0.712 | 70% | 0.697 | S | S | * | * | 75.2 | 144.3 | 60.1 | 64.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 528 | S | 22.9 | Very low | 24.7 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | trans | 62.6 | 103.5 | 171 | 60.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 529 | D | 21.9 | Very low | 24.8 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | 22.1 | 158 | 124.6 | -57.4 | -59.3 | 0 | 0 | 0 | 124.5 | |||||
| 530 | Y | 22.9 | Very low | 24.9 | Very low | 216 Ų | 216 | 124.4 Ų | 124.4 | 85% | 0.847 | 68% | 0.678 | S | S | * | * | trans | 99.3 | 130.3 | 158.6 | -73.3 | -80.6 | 0 | 0 | 0 | 121.4 | ||||
| 531 | C | 22.9 | Very low | 25.2 | Very low | 119 Ų | 119 | 127 Ų | 127 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | trans | 74.6 | 114.6 | 149.4 | -67.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 532 | S | 22.3 | Very low | 25.5 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | trans | -66.2 | -174.7 | 146.8 | -32.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 533 | P | 31.7 | Very low | 25.6 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | cis | -142.8 | -153 | 2.6 | 43.8 | -22 | 0 | 0 | 0 | 115.5 | ||||
| 534 | S | 24 | Very low | 25.7 | Very low | 60 Ų | 60 | 122.6 Ų | 122.6 | 42% | 0.42 | 70% | 0.697 | S | S | . | * | trans | 73.2 | 166.5 | 170.4 | 83.2 | 0 | 0 | 0 | 0 | 117.2 | T865 N866 | S534-T865 VanDerWaalsContact CA-O 3.26Å; S534-T865 WeakPolarHBondContact CA-O 3.42Å; S534-T865 WeakPolarHBondContact CB-O 3.21Å; S534-N866 VanDerWaalsContact CA-O 3.31Å; S534-N866 WeakPolarHBondContact CA-O 3.47Å; S534-N866 PolarHBondContact N-O 3.42Å | ||
| 535 | T | 26.1 | Very low | 26 | Very low | 82 Ų | 82 | 120.9 Ų | 120.9 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | cis | -146.4 | -179.9 | 7.3 | -23.5 | 0 | 0 | 0 | 0 | 107.3 | L864 N866 | T535-L864 HydrophobicContact CG2-CD2 4.36Å; T535-N866 VanDerWaalsContact C-ND2 3.33Å; T535-N866 PolarHBondContact O-ND2 3.06Å | ||
| 536 | V | 28 | Very low | 26.2 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 58% | 0.576 | 69% | 0.692 | S | S | * | * | cis | -137.4 | 170 | -7.9 | -157.4 | 0 | 0 | 0 | 0 | 108.3 | N866 | V536-N866 PolarHBondContact N-ND2 3.02Å; V536-N866 PolarHBondContact O-ND2 3.43Å | ||
| 537 | R | 24.6 | Very low | 26.1 | Very low | 145 Ų | 145 | 122.8 Ų | 122.8 | 55% | 0.547 | 69% | 0.688 | S | S | . | * | trans | -93.2 | 177.6 | 177.3 | 6.2 | 91.7 | 159.1 | 172.4 | -2.4 | 114.4 | ||||
| 538 | H | 31.7 | Very low | 26.4 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 54% | 0.542 | 69% | 0.69 | S | S | . | * | 173.8 | 127.2 | 114.7 | -96.1 | -91.4 | 0 | 0 | 0 | 110.5 | |||||
| 539 | Q | 26.4 | Very low | 26.4 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 70% | 0.701 | 69% | 0.687 | S | S | * | * | 67.9 | 147.5 | 103.7 | -77.6 | -168 | -45.7 | 0 | 0 | 115.7 | |||||
| 540 | L | 27.3 | Very low | 26.5 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 64% | 0.644 | 69% | 0.685 | S | S | * | * | cis | -151.9 | 177.6 | 6.9 | -122.2 | 162.3 | 0 | 0 | 0 | 111 | ||||
| 541 | D | 32.3 | Very low | 26.6 | Very low | 152 Ų | 152 | 117.4 Ų | 117.4 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | trans | 66.8 | 139.6 | 167.3 | -52 | -36.4 | 0 | 0 | 0 | 119.5 | ||||
| 542 | G | 32 | Very low | 26.8 | Very low | 79 Ų | 79 | 117.5 Ų | 117.5 | 81% | 0.814 | 68% | 0.677 | S | S | * | * | cis | -156.4 | 133.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 543 | N | 22.4 | Very low | 26.9 | Very low | 150 Ų | 150 | 118.5 Ų | 118.5 | 80% | 0.802 | 67% | 0.674 | S | S | * | * | trans | -93.7 | 153.5 | 179.2 | -138.3 | -8.7 | 0 | 0 | 0 | 108.9 | ||||
| 544 | P | 28.9 | Very low | 26.5 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 66% | 0.662 | 68% | 0.675 | S | S | * | * | -150.8 | 154.9 | 93.8 | 39.1 | -22.8 | 0 | 0 | 0 | 117.1 | |||||
| 545 | T | 27.7 | Very low | 26.5 | Very low | 111 Ų | 111 | 123 Ų | 123 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | trans | 62.9 | 124.3 | 149.7 | 50.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 546 | H | 25.6 | Very low | 26.3 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 69% | 0.694 | 70% | 0.7 | S | S | * | * | 63.2 | 137.2 | 59.6 | -67.8 | -131 | 0 | 0 | 0 | 112.3 | |||||
| 547 | M | 25.1 | Very low | 26 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 71% | 0.709 | 70% | 0.704 | S | S | * | * | cis | -161 | 166.6 | 6.4 | -128.8 | 166.1 | 168.8 | 0 | 0 | 111.6 | ||||
| 548 | T | 26.8 | Very low | 26.1 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | 60.3 | 141.5 | 153.2 | 50 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 549 | S | 23.9 | Very low | 25.7 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | cis | -174.1 | 133.6 | -21.7 | 43.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 550 | S | 23.5 | Very low | 25.6 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | 66.1 | 168.6 | 160.5 | 76.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 551 | I | 25.9 | Very low | 25.4 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | 79.2 | 140.5 | 164.4 | -63.3 | 169 | 0 | 0 | 0 | 117 | ||||
| 552 | T | 26.6 | Very low | 25 | Very low | 121 Ų | 121 | 122.3 Ų | 122.3 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | trans | 50.8 | 114.7 | 172.9 | 47.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 553 | D | 24.1 | Very low | 24.6 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | 77.3 | 148.3 | 68.7 | -117.3 | 36.2 | 0 | 0 | 0 | 115.5 | |||||
| 554 | Q | 23.9 | Very low | 24.9 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | trans | 69.9 | 119.7 | 162.5 | -70.4 | 153.9 | 57.6 | 0 | 0 | 116.7 | ||||
| 555 | S | 22.7 | Very low | 24.7 | Very low | 108 Ų | 108 | 124.6 Ų | 124.6 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | cis | 69.6 | 97 | 16.7 | 104.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 556 | S | 22.5 | Very low | 24.5 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | trans | -149.4 | 137.5 | 159.5 | 29.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 557 | S | 21.9 | Very low | 24.5 | Very low | 96 Ų | 96 | 119.9 Ų | 119.9 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | cis | 68 | 165.4 | 47.4 | 87.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 558 | V | 28 | Very low | 24.6 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | 71.3 | 86 | -164.4 | -166.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 559 | E | 23 | Very low | 25.5 | Very low | 169 Ų | 169 | 120.8 Ų | 120.8 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | cis | 63.6 | 131.9 | 20.8 | -160 | 174.1 | -143 | 0 | 0 | 112.9 | ||||
| 560 | S | 22.6 | Very low | 26.3 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | trans | 68.7 | 148 | -154.3 | 89.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 561 | N | 24.5 | Very low | 26.4 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | cis | -149.9 | 148.5 | 2 | -132 | -12.1 | 0 | 0 | 0 | 112.8 | ||||
| 562 | L | 23.9 | Very low | 26.3 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 71% | 0.712 | 70% | 0.698 | S | S | * | * | trans | 56.6 | 100.8 | 156.5 | -61 | 167.6 | 0 | 0 | 0 | 118.4 | ||||
| 563 | M | 23.8 | Very low | 26.4 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | 88.5 | 148.2 | 88 | -80.1 | -50.6 | -165.9 | 0 | 0 | 113.1 | I565 | M563-I565 HydrophobicContact CB-CD1 4.5Å; M563-I565 HydrophobicContact CB-CG1 4.16Å; M563-I565 HydrophobicContact CE-CG1 3.87Å; M563-I565 HydrophobicContact CG-CD1 4.24Å; M563-I565 HydrophobicContact CG-CG1 3.83Å; M563-I565 HydrophobicContact SD-CB 4.41Å; M563-I565 HydrophobicContact SD-CD1 4.43Å; M563-I565 HydrophobicContact SD-CG1 3.46Å; M563-I565 WeakPolarHBondContact SD-CG1 3.39Å; M563-I565 PolarHBondContact SD-N 3.02Å; M563-I565 VanDerWaalsContact SD-N 3.39Å | |||
| 564 | P | 27.7 | Very low | 26.3 | Very low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | cis | -108.1 | 142.3 | 39.6 | 15.8 | 5.3 | 0 | 0 | 0 | 114.5 | ||||
| 565 | I | 25.5 | Very low | 26.2 | Very low | 117 Ų | 117 | 125 Ų | 125 | 60% | 0.6 | 72% | 0.715 | S | S | * | * | 70.8 | 95.3 | 64 | -62.8 | -173.6 | 0 | 0 | 0 | 113.1 | M563 | M563-I565 HydrophobicContact CB-CD1 4.5Å; M563-I565 HydrophobicContact CB-CG1 4.16Å; M563-I565 HydrophobicContact CE-CG1 3.87Å; M563-I565 HydrophobicContact CG-CD1 4.24Å; M563-I565 HydrophobicContact CG-CG1 3.83Å; M563-I565 HydrophobicContact SD-CB 4.41Å; M563-I565 HydrophobicContact SD-CD1 4.43Å; M563-I565 HydrophobicContact SD-CG1 3.46Å; M563-I565 WeakPolarHBondContact SD-CG1 3.39Å; M563-I565 PolarHBondContact SD-N 3.02Å; M563-I565 VanDerWaalsContact SD-N 3.39Å | |||
| 566 | C | 23.9 | Very low | 26.4 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 60% | 0.601 | 72% | 0.718 | S | S | * | * | trans | 74.9 | 167.9 | 134.8 | -91 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 567 | C | 24 | Very low | 26.4 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 50% | 0.5 | 73% | 0.73 | S | S | . | * | cis | -165 | 141.2 | -27.5 | -96.6 | 0 | 0 | 0 | 0 | 108.2 | T572 | C567-T572 WeakPolarHBondContact O-CG2 3.4Š| ||
| 568 | L | 27.9 | Very low | 26.5 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | 62.5 | 142.5 | -126.6 | -65.2 | 158.5 | 0 | 0 | 0 | 109.2 | H570 | L568-H570 CarbonylContact C-O 3.55Å; L568-H570 HydrophobicContact CB-CB 3.98Å; L568-H570 WeakPolarHBondContact CB-O 3.46Å; L568-H570 HydrophobicContact CD1-CB 4.14Å; L568-H570 HydrophobicContact CG-CB 4.44Å | |||
| 569 | N | 45.3 | Very low | 26.3 | Very low | 170 Ų | 170 | 129.2 Ų | 129.2 | 91% | 0.909 | 73% | 0.734 | S | S | * | * | S | Bend | cis | 65.1 | -109.4 | 42.4 | -54.7 | -74 | 0 | 0 | 0 | 110.3 | ||
| 570 | H | 40.7 | Very low | 26.4 | Very low | 145 Ų | 145 | 127 Ų | 127 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -45.6 | 145.6 | 159.5 | -64.2 | -60 | 0 | 0 | 0 | 113.3 | L568 | L568-H570 CarbonylContact C-O 3.55Å; L568-H570 HydrophobicContact CB-CB 3.98Å; L568-H570 WeakPolarHBondContact CB-O 3.46Å; L568-H570 HydrophobicContact CD1-CB 4.14Å; L568-H570 HydrophobicContact CG-CB 4.44Å |
| 571 | T | 26.6 | Very low | 26.7 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | -51.8 | 129.9 | 175.6 | 48.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 572 | T | 22.9 | Very low | 26.7 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 59% | 0.589 | 75% | 0.746 | S | S | * | * | trans | -82.2 | 134.3 | 167.4 | 45.9 | 0 | 0 | 0 | 0 | 111 | C567 | C567-T572 WeakPolarHBondContact O-CG2 3.4Š| ||
| 573 | Q | 28.8 | Very low | 26.8 | Very low | 194 Ų | 194 | 127.1 Ų | 127.1 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | trans | -127.7 | 149.6 | 167 | -80 | -172.1 | -24.7 | 0 | 0 | 109.6 | ||||
| 574 | L | 21.6 | Very low | 26.7 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -87.7 | 138.5 | -176.7 | -111.1 | 168.9 | 0 | 0 | 0 | 112.1 | ||||
| 575 | S | 22.4 | Very low | 26.6 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | 46.2 | 87.6 | 151.2 | 61.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 576 | A | 26.3 | Very low | 26.7 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -150.3 | 108.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A578 | A576-A578 PolarHBondContact O-N 3.17Š| ||
| 577 | N | 22.6 | Very low | 26.6 | Very low | 177 Ų | 177 | 136.1 Ų | 136.1 | 95% | 0.947 | 76% | 0.758 | S | S | * | * | trans | -79.6 | 106.6 | 164.4 | -79.1 | -36.2 | 0 | 0 | 0 | 109.1 | ||||
| 578 | A | 24.3 | Very low | 26.8 | Very low | 83 Ų | 83 | 137 Ų | 137 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | trans | -162.4 | 111.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A576 | A576-A578 PolarHBondContact O-N 3.17Š| ||
| 579 | I | 23.5 | Very low | 26.8 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | 26.8 | 115.8 | 106.2 | -45.8 | 160 | 0 | 0 | 0 | 112.7 | |||||
| 580 | T | 25 | Very low | 26 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | -165.9 | 169.5 | 68.7 | -35.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 581 | A | 29.3 | Very low | 25.2 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | 67.6 | 42.9 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | C583 | A581-C583 PolarHBondContact O-N 3.03Š| ||
| 582 | I | 24.8 | Very low | 25.1 | Very low | 180 Ų | 180 | 131.9 Ų | 131.9 | 92% | 0.923 | 77% | 0.768 | S | S | * | * | trans | -94.8 | 75.5 | 156.4 | -55.9 | -177.4 | 0 | 0 | 0 | 109.3 | ||||
| 583 | C | 25.1 | Very low | 25.1 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | trans | -161.6 | 122.8 | 172.4 | -163.5 | 0 | 0 | 0 | 0 | 111.8 | A581 | A581-C583 PolarHBondContact O-N 3.03Š| ||
| 584 | R | 23.5 | Very low | 25 | Very low | 231 Ų | 231 | 128.5 Ų | 128.5 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | 62.8 | 160.1 | 163.9 | -71.3 | 171.3 | -177.7 | 171.3 | 1.2 | 117.9 | ||||
| 585 | S | 25.2 | Very low | 25.3 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | cis | 173.7 | 159.1 | -35.6 | 61.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 586 | K | 26.1 | Very low | 25.3 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | 70.9 | 158.2 | 158.7 | -65.3 | 170.4 | 178 | -172.8 | 0 | 114.7 | ||||
| 587 | Q | 23.3 | Very low | 25.4 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | -152.4 | 133.8 | 5.3 | -139.5 | 152.3 | -38.7 | 0 | 0 | 112.1 | ||||
| 588 | A | 27.6 | Very low | 25.4 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -164.2 | 105.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 589 | V | 27.6 | Very low | 25.5 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 63.8 | 130 | 136.7 | -171.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 590 | S | 28.2 | Very low | 25.6 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | trans | 67.2 | 137.1 | 159.3 | 62.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 591 | T | 23.8 | Very low | 25.6 | Very low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | cis | 72.2 | 144.1 | 31 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 592 | S | 25.8 | Very low | 25.4 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | cis | -160.3 | 136.6 | 9.7 | 20.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 593 | S | 22.9 | Very low | 25.4 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | 70 | 146.8 | 72.8 | 82.1 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 594 | S | 27.2 | Very low | 25.3 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | 77.5 | 148.8 | -178.2 | 84.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 595 | S | 26.7 | Very low | 25.3 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | cis | -159.9 | 153.7 | -18.8 | -110 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 596 | Y | 22.6 | Very low | 25.3 | Very low | 220 Ų | 220 | 132 Ų | 132 | 86% | 0.863 | 72% | 0.716 | S | S | * | * | trans | -66.5 | 150.9 | 169.4 | -89.6 | -123.3 | 0 | 0 | 0 | 113 | ||||
| 597 | K | 27.4 | Very low | 25.3 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | -164 | 106.5 | 132.9 | -111.8 | 170.4 | -177.3 | 179.7 | 0 | 115.5 | ||||
| 598 | N | 24.6 | Very low | 25.3 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | 78.8 | 141 | 124 | -73 | 15.9 | 0 | 0 | 0 | 124.9 | |||||
| 599 | L | 26.1 | Very low | 25.1 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | trans | 86.7 | 157.8 | 150.2 | -67.4 | 154.9 | 0 | 0 | 0 | 120.3 | ||||
| 600 | S | 24.2 | Very low | 24.9 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | -175.7 | 163.1 | -115.1 | 59 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 601 | R | 25.7 | Very low | 24.8 | Very low | 188 Ų | 188 | 129.9 Ų | 129.9 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | trans | 81.9 | 99.5 | 152.9 | -76.1 | -176.9 | 175.3 | -173.8 | -2 | 122.4 | M1115 | R601-M1115 HydrophobicContact CB-CE 4.18Å; R601-M1115 HydrophobicContact CB-SD 3.73Å | ||
| 602 | S | 24.1 | Very low | 24.8 | Very low | 61 Ų | 61 | 129 Ų | 129 | 43% | 0.427 | 71% | 0.713 | S | S | . | * | 68.8 | 150.1 | 110.5 | 70.2 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 603 | Y | 24.8 | Very low | 24.8 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | 88.5 | 164.7 | 158.4 | -76.3 | -70.5 | 0 | 0 | 0 | 120.4 | S1113 | Y603-S1113 PolarHBondContact O-N 3.33Å; Y603-S1113 VanDerWaalsContact O-N 3.1Å | ||
| 604 | D | 23.3 | Very low | 24.8 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | trans | -106.5 | 166.5 | -139.7 | -61.1 | -62.8 | 0 | 0 | 0 | 118.4 | ||||
| 605 | S | 24.2 | Very low | 24.7 | Very low | 99 Ų | 99 | 133 Ų | 133 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | trans | 100.2 | 165.9 | 147.8 | 79.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 606 | Y | 24.6 | Very low | 24.5 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 49% | 0.494 | 71% | 0.705 | S | S | . | * | trans | -86.6 | 154.4 | -145.2 | -114.1 | -52.2 | 0 | 0 | 0 | 117.8 | S1108 T1109 P1110 | Y606-S1108 WeakPolarHBondContact OH-CB 3.28Å; Y606-T1109 PolarHBondContact OH-O 3.04Å; Y606-P1110 HydrophobicContact CD1-CG 3.31Å; Y606-P1110 HydrophobicContact CE1-CB 4.45Å; Y606-P1110 VanDerWaalsContact CE1-CD 3.48Å; Y606-P1110 HydrophobicContact CE1-CG 3.5Å; Y606-P1110 VanDerWaalsContact CE1-CG 3.5Å; Y606-P1110 HydrophobicContact CG-CG 3.91Å | ||
| 607 | I | 25.7 | Very low | 24.6 | Very low | 128 Ų | 128 | 127 Ų | 127 | 66% | 0.656 | 69% | 0.694 | S | S | * | * | trans | 86.9 | 105.5 | 144.6 | -76.9 | 164.8 | 0 | 0 | 0 | 120.1 | ||||
| 608 | T | 23.7 | Very low | 24.4 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | trans | 60.9 | 140.6 | 148.3 | 57.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 609 | S | 23.5 | Very low | 24.3 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | cis | -165.2 | 151 | 8.1 | 45.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 610 | N | 23.2 | Very low | 24.2 | Very low | 159 Ų | 159 | 118.9 Ų | 118.9 | 85% | 0.85 | 68% | 0.678 | S | S | * | * | trans | 49.2 | 100.5 | 142.9 | -58.5 | -2.7 | 0 | 0 | 0 | 122.3 | ||||
| 611 | S | 26.4 | Very low | 24.2 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | trans | -174 | 97 | 131.7 | 57.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 612 | S | 23.6 | Very low | 24.2 | Very low | 112 Ų | 112 | 117.2 Ų | 117.2 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | 65.8 | 108 | 91.1 | 70.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 613 | I | 26.6 | Very low | 24.1 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | trans | -151.4 | 121.1 | 132.7 | -100.6 | 155.7 | 0 | 0 | 0 | 108.2 | ||||
| 614 | T | 23.1 | Very low | 24 | Very low | 122 Ų | 122 | 116.7 Ų | 116.7 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -105.5 | 155 | 156.1 | 51.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 615 | P | 24.6 | Very low | 24.1 | Very low | 108 Ų | 108 | 118.5 Ų | 118.5 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | -127.2 | 162.2 | 88.6 | 38.1 | -29.3 | 0 | 0 | 0 | 111.9 | |||||
| 616 | L | 22.3 | Very low | 23.9 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 55% | 0.55 | 72% | 0.717 | S | S | . | * | 63.1 | 140.3 | 50.2 | -114.7 | 66.6 | 0 | 0 | 0 | 110.6 | L1334 | L616-L1334 VanDerWaalsContact CD2-O 3.25Å; L616-L1334 WeakPolarHBondContact CD2-O 3.35Å | |||
| 617 | V | 26 | Very low | 24 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 64% | 0.642 | 74% | 0.736 | S | S | * | * | cis | -143.8 | 165.9 | 31.6 | -176.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 618 | S | 21.6 | Very low | 23.8 | Very low | 81 Ų | 81 | 121.3 Ų | 121.3 | 57% | 0.566 | 74% | 0.736 | S | S | * | * | trans | -60.1 | 178.6 | 163.4 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 619 | S | 23.6 | Very low | 23.9 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | cis | -174.9 | -172.3 | -18.1 | 49 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 620 | T | 23.8 | Very low | 24 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | 71.3 | 100.5 | 144.6 | 39 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 621 | T | 24.6 | Very low | 24 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | 74 | 123.3 | 120.4 | 55.9 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 622 | V | 24.1 | Very low | 23.9 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | 90.3 | 137.8 | 127 | 166.8 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 623 | N | 22.5 | Very low | 23.8 | Very low | 163 Ų | 163 | 123.7 Ų | 123.7 | 87% | 0.872 | 72% | 0.724 | S | S | * | * | trans | 65.3 | 130.9 | -179.3 | -60.2 | -23.5 | 0 | 0 | 0 | 115.7 | ||||
| 624 | G | 23.6 | Very low | 23.6 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | cis | 158 | 173.3 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 625 | I | 23.9 | Very low | 23.6 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | trans | 70 | 123.9 | 171.1 | -57.2 | 173.5 | 0 | 0 | 0 | 115.2 | ||||
| 626 | D | 21.9 | Very low | 23.5 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | -66.8 | 138.6 | 172.4 | -53.5 | -92.4 | 0 | 0 | 0 | 113 | ||||
| 627 | F | 25.7 | Very low | 23.5 | Very low | 204 Ų | 204 | 125.4 Ų | 125.4 | 90% | 0.895 | 72% | 0.722 | S | S | * | * | trans | -171.6 | 128.5 | 132.5 | -85.1 | -64.7 | 0 | 0 | 0 | 105.1 | ||||
| 628 | G | 21.9 | Very low | 23.4 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | cis | 117.3 | 147.4 | 22.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 629 | I | 24.6 | Very low | 23.5 | Very low | 158 Ų | 158 | 128.5 Ų | 128.5 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | 68.1 | 77.1 | 172.2 | -41.2 | 166.2 | 0 | 0 | 0 | 115.3 | ||||
| 630 | T | 26.5 | Very low | 23.8 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 77% | 0.767 | 73% | 0.733 | S | S | * | * | 171.6 | 108.5 | 121.1 | 32.5 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 631 | S | 23.2 | Very low | 24.2 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | 64.9 | 133.3 | 64.1 | 83.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 632 | H | 23.2 | Very low | 24.4 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | trans | 81.5 | 121.4 | 161.9 | -79.5 | 23 | 0 | 0 | 0 | 119 | ||||
| 633 | N | 23 | Very low | 24.8 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | 83.1 | 104.4 | 126.3 | -63.8 | -2.5 | 0 | 0 | 0 | 120.2 | |||||
| 634 | H | 22.4 | Very low | 25.1 | Very low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | 66.9 | 125.5 | 115.2 | -83.4 | -76.4 | 0 | 0 | 0 | 120.5 | |||||
| 635 | I | 22.2 | Very low | 25.5 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | 69.8 | -173.4 | 144.3 | -54.6 | 160.3 | 0 | 0 | 0 | 111.6 | ||||
| 636 | V | 22 | Very low | 25.9 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 66% | 0.655 | 72% | 0.715 | S | S | * | * | trans | 74.5 | 86.6 | 169.3 | -165.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 637 | N | 23.8 | Very low | 26 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | 41.2 | 121.7 | 119.9 | -43.4 | -17.7 | 0 | 0 | 0 | 117.5 | |||||
| 638 | V | 24.2 | Very low | 26 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | -155.9 | 119.9 | 101 | 133.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 639 | D | 23.3 | Very low | 26.4 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | 27.2 | 148.7 | 121.2 | -145.9 | 11.9 | 0 | 0 | 0 | 120.1 | |||||
| 640 | K | 30.2 | Very low | 27.3 | Very low | 148 Ų | 148 | 126 Ų | 126 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | trans | 80.1 | 110.4 | 158.4 | -59.7 | 178.6 | -175.2 | 75.8 | 0 | 121.2 | ||||
| 641 | Y | 30.7 | Very low | 27 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 72% | 0.722 | 63% | 0.633 | S | S | * | * | trans | 65.8 | 142.4 | 148.6 | -69.3 | -103.5 | 0 | 0 | 0 | 117.7 | ||||
| 642 | L | 28.9 | Very low | 27 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 70% | 0.702 | 62% | 0.617 | S | S | * | * | cis | 66.5 | 152.4 | 45.8 | -85.2 | 93.4 | 0 | 0 | 0 | 113.8 | ||||
| 643 | P | 33.1 | Very low | 27.1 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 66% | 0.662 | 61% | 0.614 | S | S | * | * | cis | -128.3 | 171.7 | 14.2 | 37.4 | -19.8 | 0 | 0 | 0 | 116.8 | ||||
| 644 | N | 29.7 | Very low | 27.8 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 61% | 0.61 | 61% | 0.605 | S | S | * | * | trans | 7.4 | 145.7 | 131.7 | -32.3 | -20.8 | 0 | 0 | 0 | 116.7 | ||||
| 645 | N | 32.2 | Very low | 28.1 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 66% | 0.658 | 59% | 0.592 | S | S | * | * | cis | -151.7 | 165.2 | 36.5 | -64 | -93.6 | 0 | 0 | 0 | 111 | ||||
| 646 | H | 30.4 | Very low | 28.4 | Very low | 178 Ų | 178 | 110.4 Ų | 110.4 | 82% | 0.824 | 59% | 0.585 | S | S | * | * | -173.4 | 153.7 | 105.9 | -95.9 | -69.7 | 0 | 0 | 0 | 112.3 | |||||
| 647 | I | 24.4 | Very low | 28.8 | Very low | 121 Ų | 121 | 111.6 Ų | 111.6 | 62% | 0.621 | 59% | 0.586 | S | S | * | * | trans | -55.9 | 136.6 | 158.2 | -74.1 | 172 | 0 | 0 | 0 | 107.5 | Y1111 | I647-Y1111 HydrophobicContact CD1-CE2 4.16Å; I647-Y1111 WeakPolarHBondContact CD1-OH 3.5Å | ||
| 648 | P | 26.6 | Very low | 29.1 | Very low | 80 Ų | 80 | 110 Ų | 110 | 52% | 0.519 | 59% | 0.586 | S | S | . | * | -142.7 | -164.6 | 54.9 | 42.6 | -24.3 | 0 | 0 | 0 | 116 | |||||
| 649 | T | 29.9 | Very low | 29.5 | Very low | 51 Ų | 51 | 106.7 Ų | 106.7 | 31% | 0.313 | 58% | 0.578 | S | S | . | * | trans | 67.5 | 126.5 | 157.1 | 53.3 | 0 | 0 | 0 | 0 | 117.6 | E399 | E399-T649 VanDerWaalsContact CD-CG2 3.46Å; E399-T649 HydrophobicContact CG-CG2 3.58Å; E399-T649 WeakPolarHBondContact OE1-CG2 3.44Å | ||
| 650 | L | 44.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 105.2 Ų | 105.2 | 64% | 0.644 | 58% | 0.577 | S | S | * | * | 71.5 | 163.7 | 60.9 | -59.9 | 156.9 | 0 | 0 | 0 | 111.8 | Y400 S652 | Y400-L650 WeakPolarHBondContact CB-O 3.29Å; Y400-L650 CarbonylContact O-C 3.58Å; Y400-L650 WeakPolarHBondContact O-CA 3.41Å; Y400-L650 WeakPolarHBondContact O-CB 3.25Å; L650-S652 VanDerWaalsContact C-N 3.31Å; L650-S652 PolarHBondContact O-N 3.27Å | |||
| 651 | L | 19.3 | Very low | 30.4 | Very low | 18 Ų | 18 | 104.9 Ų | 104.9 | 9% | 0.094 | 58% | 0.583 | C | S | . | * | trans | 51 | -73.2 | -166.8 | -149.3 | 156.6 | 0 | 0 | 0 | 115.7 | L386 F387 K388 Y400 V401 | L386-L651 HydrophobicContact CD1-CB 4.27Å; L386-L651 HydrophobicContact CD1-CD2 3.67Å; L386-L651 HydrophobicContact CD1-CG 3.61Å; L386-L651 WeakPolarHBondContact CD1-O 3.17Å; L386-L651 HydrophobicContact CD2-CD2 3.43Å; L386-L651 VanDerWaalsContact CD2-CD2 3.43Å; L386-L651 HydrophobicContact CD2-CG 4.28Å; L386-L651 HydrophobicContact CG-CD1 4.48Å; L386-L651 HydrophobicContact CG-CD2 3.29Å; L386-L651 HydrophobicContact CG-CG 3.57Å; F387-L651 WeakPolarHBondContact O-CD1 3.36Å; K388-L651 HydrophobicContact CB-CD1 3.95Å; Y400-L651 HydrophobicContact CD1-CB 4.01Å; Y400-L651 HydrophobicContact CD1-CD1 3.5Å; Y400-L651 VanDerWaalsContact CD1-CD1 3.5Å; Y400-L651 HydrophobicContact CD1-CD2 4.22Å; Y400-L651 HydrophobicContact CD1-CG 4.13Å; Y400-L651 HydrophobicContact CD2-CB 3.83Å; Y400-L651 HydrophobicContact CE1-CD1 4.27Å; Y400-L651 HydrophobicContact CE1-CD2 4.42Å; Y400-L651 HydrophobicContact CG-CB 3.4Å; Y400-L651 VanDerWaalsContact CG-CB 3.4Å; Y400-L651 HydrophobicContact CG-CD1 3.82Å; Y400-L651 HydrophobicContact CG-CD2 4.36Å; Y400-L651 HydrophobicContact CG-CG 4.05Å; Y400-L651 PolarHBondContact O-N 3.09Å; V401-L651 WeakPolarHBondContact O-CG 3.37Å | ||
| 652 | S | 24.6 | Very low | 30 | Very low | 46 Ų | 46 | 103.6 Ų | 103.6 | 32% | 0.322 | 59% | 0.588 | S | S | . | * | trans | -45.2 | 132.9 | -148.8 | 158.4 | 0 | 0 | 0 | 0 | 115 | L650 | L650-S652 VanDerWaalsContact C-N 3.31Å; L650-S652 PolarHBondContact O-N 3.27Å | ||
| 653 | R | 24.4 | Very low | 30.1 | Very low | 181 Ų | 181 | 102.7 Ų | 102.7 | 68% | 0.683 | 59% | 0.593 | S | S | * | * | trans | 48.6 | 126.2 | 130.4 | -100.2 | -175.3 | 168.6 | 148 | -3.1 | 119.2 | P655 | R653-P655 WeakPolarHBondContact O-CD 3.27Š| ||
| 654 | V | 37.2 | Very low | 29.9 | Very low | 69 Ų | 69 | 101.4 Ų | 101.4 | 42% | 0.418 | 60% | 0.599 | S | S | . | * | -46.4 | 127.8 | 124 | 143.4 | 0 | 0 | 0 | 0 | 108.9 | L381 | L381-V654 HydrophobicContact CB-CG1 4.36Å; L381-V654 WeakPolarHBondContact O-CB 3.29Å; L381-V654 WeakPolarHBondContact O-CG2 3.44Å | |||
| 655 | P | 28.6 | Very low | 29.7 | Very low | 63 Ų | 63 | 101 Ų | 101 | 41% | 0.409 | 60% | 0.604 | S | S | . | * | -120.9 | 132.2 | 112.6 | 30.8 | -15.3 | 0 | 0 | 0 | 106 | R653 I657 | R653-P655 WeakPolarHBondContact O-CD 3.27Å; P655-I657 VanDerWaalsContact C-CA 3.44Å; P655-I657 HydrophobicContact CB-CB 4.03Å; P655-I657 HydrophobicContact CB-CG1 3.92Å; P655-I657 HydrophobicContact CB-CG2 3.92Å; P655-I657 HydrophobicContact CG-CB 4.34Å; P655-I657 HydrophobicContact CG-CD1 4.46Å; P655-I657 HydrophobicContact CG-CG1 3.88Å; P655-I657 HydrophobicContact CG-CG2 4Å; P655-I657 WeakPolarHBondContact O-CG1 3.49Å | |||
| 656 | S | 29.1 | Very low | 29.3 | Very low | 87 Ų | 87 | 98.4 Ų | 98.4 | 61% | 0.608 | 61% | 0.607 | S | S | * | * | 76.8 | -21.8 | 51 | 74 | 0 | 0 | 0 | 0 | 115.8 | S658 G659 | S656-S658 PolarHBondContact O-N 3.26Å; S656-S658 PolarHBondContact OG-N 3.33Å; S656-G659 PolarHBondContact O-N 2.88Å | |||
| 657 | I | 30.5 | Very low | 29.1 | Very low | 133 Ų | 133 | 95.7 Ų | 95.7 | 68% | 0.682 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | -67.4 | 79.4 | -71.9 | -62.6 | 179.8 | 0 | 0 | 0 | 107.8 | P655 G659 | P655-I657 VanDerWaalsContact C-CA 3.44Å; P655-I657 HydrophobicContact CB-CB 4.03Å; P655-I657 HydrophobicContact CB-CG1 3.92Å; P655-I657 HydrophobicContact CB-CG2 3.92Å; P655-I657 HydrophobicContact CG-CB 4.34Å; P655-I657 HydrophobicContact CG-CD1 4.46Å; P655-I657 HydrophobicContact CG-CG1 3.88Å; P655-I657 HydrophobicContact CG-CG2 4Å; P655-I657 WeakPolarHBondContact O-CG1 3.49Å; I657-G659 PolarHBondContact O-N 3.41Å | |
| 658 | S | 30.8 | Very low | 29.2 | Very low | 105 Ų | 105 | 97.8 Ų | 97.8 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41.5 | 36.3 | -166 | 43.1 | 0 | 0 | 0 | 0 | 113.5 | S656 S660 | S656-S658 PolarHBondContact O-N 3.26Å; S656-S658 PolarHBondContact OG-N 3.33Å; S658-S660 PolarHBondContact O-N 3.44Å |
| 659 | G | 32.2 | Very low | 29.5 | Very low | 63 Ų | 63 | 99 Ų | 99 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | trans | -76.3 | 70.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S656 I657 N661 | S656-G659 PolarHBondContact O-N 2.88Å; I657-G659 PolarHBondContact O-N 3.41Å; G659-N661 PolarHBondContact O-N 3Å | ||
| 660 | S | 35.6 | Very low | 30 | Very low | 86 Ų | 86 | 98.5 Ų | 98.5 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | trans | 10.9 | 100.7 | 177.9 | -166.6 | 0 | 0 | 0 | 0 | 116.5 | S658 N662 | S658-S660 PolarHBondContact O-N 3.44Å; S660-N662 PolarHBondContact O-N 2.81Å; S660-N662 VanDerWaalsContact O-N 3.09Å | ||
| 661 | N | 35.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 103.1 Ų | 103.1 | 76% | 0.759 | 64% | 0.644 | S | S | * | * | 30.3 | 80.7 | 106.5 | -57.8 | -22.5 | 0 | 0 | 0 | 113.6 | G659 S663 | G659-N661 PolarHBondContact O-N 3Å; N661-S663 PolarHBondContact O-N 2.87Å | |||
| 662 | N | 24.2 | Very low | 29.7 | Very low | 156 Ų | 156 | 106.9 Ų | 106.9 | 83% | 0.834 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 125.1 | 173.2 | -87.8 | -40.7 | 0 | 0 | 0 | 110 | S660 G664 | S660-N662 PolarHBondContact O-N 2.81Å; S660-N662 VanDerWaalsContact O-N 3.09Å; N662-G664 PolarHBondContact O-N 3.42Å |
| 663 | S | 30.3 | Very low | 29.8 | Very low | 115 Ų | 115 | 109.3 Ų | 109.3 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.6 | 45.6 | 168.4 | 50.5 | 0 | 0 | 0 | 0 | 115.7 | N661 S665 | N661-S663 PolarHBondContact O-N 2.87Å; S663-S665 PolarHBondContact O-N 3.44Å |
| 664 | G | 28.1 | Very low | 29.8 | Very low | 76 Ų | 76 | 107.7 Ų | 107.7 | 78% | 0.784 | 69% | 0.685 | S | S | * | * | trans | -74.5 | 15.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N662 | N662-G664 PolarHBondContact O-N 3.42Š| ||
| 665 | S | 25.5 | Very low | 29.2 | Very low | 104 Ų | 104 | 109 Ų | 109 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -156.6 | 144.8 | 177 | 59.1 | 0 | 0 | 0 | 0 | 110.9 | S663 | S663-S665 PolarHBondContact O-N 3.44Š|
| 666 | G | 23.6 | Very low | 29 | Very low | 69 Ų | 69 | 111.4 Ų | 111.4 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | trans | -78.5 | 134.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I668 | G666-I668 PolarHBondContact O-N 3.14Š| ||
| 667 | S | 27 | Very low | 29 | Very low | 122 Ų | 122 | 112.5 Ų | 112.5 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | 18.8 | 89.7 | 128.2 | -51 | 0 | 0 | 0 | 0 | 118 | |||||
| 668 | I | 26.6 | Very low | 28.9 | Very low | 164 Ų | 164 | 111.7 Ų | 111.7 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -115.3 | 98.2 | 136.7 | -67.6 | -173.6 | 0 | 0 | 0 | 107.9 | G666 | G666-I668 PolarHBondContact O-N 3.14Š| ||
| 669 | S | 32.8 | Very low | 28.7 | Very low | 107 Ų | 107 | 111 Ų | 111 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | -65.9 | 144.2 | 150.5 | 47.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 670 | G | 39.7 | Very low | 28.7 | Very low | 39 Ų | 39 | 111.9 Ų | 111.9 | 40% | 0.402 | 70% | 0.701 | S | S | . | * | cis | 144.4 | 132.7 | 0.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T673 | G670-T673 WeakPolarHBondContact O-CG2 3.15Š| ||
| 671 | Y | 29.8 | Very low | 28.1 | Very low | 220 Ų | 220 | 117.3 Ų | 117.3 | 86% | 0.863 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -134.8 | 126.4 | 169.4 | -96.1 | -101.2 | 0 | 0 | 0 | 107.3 | ||
| 672 | T | 28.5 | Very low | 27.5 | Very low | 97 Ų | 97 | 115.4 Ų | 115.4 | 60% | 0.595 | 70% | 0.695 | S | S | * | * | cis | -145.6 | 87.3 | -5.3 | -17.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 673 | T | 27 | Very low | 27.5 | Very low | 98 Ų | 98 | 118 Ų | 118 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | 57.5 | 50.8 | 79.2 | 75.9 | 0 | 0 | 0 | 0 | 114.3 | G670 | G670-T673 WeakPolarHBondContact O-CG2 3.15Š| |||
| 674 | I | 23.8 | Very low | 27.3 | Very low | 146 Ų | 146 | 118 Ų | 118 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | trans | -111 | 91 | 171.9 | -61.4 | -177.8 | 0 | 0 | 0 | 109.5 | ||||
| 675 | T | 23.6 | Very low | 27.3 | Very low | 96 Ų | 96 | 120.5 Ų | 120.5 | 59% | 0.589 | 69% | 0.686 | S | S | * | * | trans | 28 | 108.2 | 136 | 49.6 | 0 | 0 | 0 | 0 | 119.7 | L677 V680 | T675-L677 WeakPolarHBondContact CB-O 3.16Å; T675-L677 WeakPolarHBondContact CG2-O 3Å; T675-V680 HydrophobicContact CG2-CG2 4.45Å | ||
| 676 | S | 25.4 | Very low | 27.2 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | -127.3 | 125.9 | 105.5 | 63.6 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 677 | L | 29 | Very low | 27.4 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 58% | 0.576 | 69% | 0.688 | S | S | * | * | cis | -32.5 | 124.4 | 12.1 | -60.2 | 97.3 | 0 | 0 | 0 | 118.2 | T675 S679 V680 | T675-L677 WeakPolarHBondContact CB-O 3.16Å; T675-L677 WeakPolarHBondContact CG2-O 3Å; L677-S679 WeakPolarHBondContact CD2-O 3.06Å; L677-V680 HydrophobicContact CB-CG2 4.17Å | ||
| 678 | P | 28.9 | Very low | 27.5 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | S | Bend | -67.1 | 130 | 85 | 33 | -31.3 | 0 | 0 | 0 | 111.3 | |||
| 679 | S | 26 | Very low | 27.3 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | cis | -141.1 | 128.9 | -7.3 | -135.4 | 0 | 0 | 0 | 0 | 107.6 | L677 | L677-S679 WeakPolarHBondContact CD2-O 3.06Š| ||
| 680 | V | 31.7 | Very low | 27 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 49% | 0.491 | 68% | 0.684 | S | S | . | * | 48.6 | 99.6 | 56 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | T675 L677 | T675-V680 HydrophobicContact CG2-CG2 4.45Å; L677-V680 HydrophobicContact CB-CG2 4.17Å | |||
| 681 | R | 22.8 | Very low | 26.1 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | 62.1 | 112.5 | 169.5 | -59 | -161.6 | 91.1 | 145.3 | 6.1 | 114.2 | ||||
| 682 | E | 23.3 | Very low | 25.9 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 48% | 0.477 | 70% | 0.699 | S | S | . | * | 63.8 | 109.4 | 97.9 | -64.3 | -173.9 | 109.9 | 0 | 0 | 113.5 | |||||
| 683 | R | 24.6 | Very low | 25.8 | Very low | 209 Ų | 209 | 129.2 Ų | 129.2 | 79% | 0.789 | 70% | 0.704 | S | S | * | * | 50.6 | 95.6 | 120.5 | -58.2 | -172.1 | -79.1 | 174.7 | -6.5 | 115.3 | |||||
| 684 | C | 26.3 | Very low | 25.7 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | 171.9 | 146 | 105.8 | -88.7 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 685 | I | 26.7 | Very low | 25.8 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 66% | 0.656 | 71% | 0.707 | S | S | * | * | cis | -155.9 | 163.2 | -12.5 | -131.4 | 168.6 | 0 | 0 | 0 | 107.4 | ||||
| 686 | E | 25.1 | Very low | 25.9 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | 55.2 | 122.7 | 161.7 | -78 | 165.2 | -151.9 | 0 | 0 | 122 | ||||
| 687 | N | 26.9 | Very low | 25.9 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | trans | 70.7 | 149.5 | 135 | -54.7 | -25.2 | 0 | 0 | 0 | 119.3 | ||||
| 688 | G | 28.3 | Very low | 25.8 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | cis | -121.9 | 154.2 | 4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 689 | Q | 22.5 | Very low | 25.7 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | trans | -56.5 | 147.3 | 167 | -53.3 | 166.2 | 4.8 | 0 | 0 | 110.8 | ||||
| 690 | S | 26.4 | Very low | 25.7 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | trans | -159.3 | 135.2 | 138.5 | 31.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 691 | K | 22.7 | Very low | 25.2 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | trans | -69.5 | 128.3 | 159.2 | -55.6 | 158 | -177.4 | 172.4 | 0 | 106.9 | ||||
| 692 | S | 25 | Very low | 25.3 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | trans | -148.1 | 125.8 | 163.5 | -63.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 693 | I | 26.3 | Very low | 25.4 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | 72.3 | 103 | 54.2 | -58.5 | 167 | 0 | 0 | 0 | 110.5 | |||||
| 694 | N | 25.5 | Very low | 25.3 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | trans | 58.8 | 121.2 | 147.3 | -59.6 | 24.4 | 0 | 0 | 0 | 120.7 | ||||
| 695 | D | 24.4 | Very low | 25.2 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | 58.3 | 102 | 126.4 | -49.3 | -31 | 0 | 0 | 0 | 119.8 | |||||
| 696 | K | 26.8 | Very low | 25.7 | Very low | 214 Ų | 214 | 135 Ų | 135 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | -116.8 | 109 | 118.1 | -84.7 | -166.2 | 173.6 | -178.5 | 0 | 111.8 | |||||
| 697 | S | 25.7 | Very low | 25.6 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | trans | -69.3 | -177 | 158.4 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 698 | Q | 26.6 | Very low | 25.4 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 61% | 0.612 | 75% | 0.751 | S | S | * | * | trans | 78.6 | 50.6 | 169.6 | -44.7 | -160.2 | 9.4 | 0 | 0 | 117.8 | L700 | Q698-L700 HydrophobicContact CB-CD1 4.37Å; Q698-L700 HydrophobicContact CG-CD1 3.93Å | ||
| 699 | I | 27.1 | Very low | 25.2 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 92% | 0.918 | 75% | 0.747 | S | S | * | * | S | Bend | -116.2 | 118.8 | 109.7 | -58.7 | -178.2 | 0 | 0 | 0 | 106.2 | |||
| 700 | L | 24.3 | Very low | 25.3 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 50% | 0.497 | 74% | 0.741 | S | S | . | * | trans | -116.3 | 149.5 | -170 | -74.9 | 152.1 | 0 | 0 | 0 | 109.3 | Q698 F1163 | Q698-L700 HydrophobicContact CB-CD1 4.37Å; Q698-L700 HydrophobicContact CG-CD1 3.93Å; L700-F1163 HydrophobicContact CD1-CE1 3.52Å; L700-F1163 HydrophobicContact CD1-CZ 3.91Å | ||
| 701 | S | 21.9 | Very low | 25.1 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | cis | -165.4 | 177.7 | -9.8 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 702 | I | 25.5 | Very low | 25.2 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | 77.9 | 126.5 | -178.6 | -53 | 179.7 | 0 | 0 | 0 | 113.5 | ||||
| 703 | P | 25.5 | Very low | 25.2 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -135.7 | 170.8 | -142.3 | 38.4 | -18.2 | 0 | 0 | 0 | 117 | ||||
| 704 | M | 21.6 | Very low | 25 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | -133.5 | 173.7 | 144 | -76.1 | -149.6 | 81 | 0 | 0 | 109.3 | ||||
| 705 | T | 24.5 | Very low | 25.1 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 78.1 | 158.3 | -174.3 | 80.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 706 | P | 37.4 | Very low | 25.1 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | -143.6 | 164.5 | -54.7 | 38.5 | -23.4 | 0 | 0 | 0 | 114.3 | |||||
| 707 | R | 22.3 | Very low | 25 | Very low | 237 Ų | 237 | 139.5 Ų | 139.5 | 89% | 0.894 | 72% | 0.717 | S | S | * | * | 173.8 | 162.7 | 121.7 | -100.6 | 173.8 | 176.3 | 172.8 | 0.3 | 116.4 | |||||
| 708 | N | 22.9 | Very low | 25.3 | Very low | 145 Ų | 145 | 138 Ų | 138 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | trans | -74.4 | 158.8 | 175.1 | -77.1 | -39.3 | 0 | 0 | 0 | 114.7 | ||||
| 709 | S | 24.7 | Very low | 25.5 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 71% | 0.712 | S | S | * | * | trans | 69 | 123.5 | 143.9 | 64.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 710 | R | 23.6 | Very low | 25.4 | Very low | 205 Ų | 205 | 133.7 Ų | 133.7 | 77% | 0.774 | 70% | 0.695 | S | S | * | * | trans | 44.7 | 134.5 | 130.3 | -59.1 | -179.9 | -176.1 | 165.5 | 1.6 | 118.7 | ||||
| 711 | N | 23.8 | Very low | 25.7 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 48% | 0.481 | 71% | 0.712 | S | S | . | * | cis | -168.7 | 159.5 | 5.3 | -108.7 | -1.5 | 0 | 0 | 0 | 109.6 | F925 | N711-F925 WeakPolarHBondContact OD1-CE1 3.43Å; N711-F925 VanDerWaalsContact OD1-CZ 3.24Å; N711-F925 WeakPolarHBondContact OD1-CZ 3.46Å | ||
| 712 | R | 23.5 | Very low | 25.8 | Very low | 219 Ų | 219 | 140.3 Ų | 140.3 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | trans | 68 | 124 | 157.1 | -89.7 | -167.7 | 166.4 | 178 | -5.3 | 118.3 | ||||
| 713 | T | 24.4 | Very low | 25.8 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | 52 | 124.9 | 93.8 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 714 | Q | 23.6 | Very low | 25.7 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | cis | -152.9 | 178.3 | 42.7 | -99.4 | 167.8 | -43.3 | 0 | 0 | 108.9 | ||||
| 715 | S | 26.3 | Very low | 25.7 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 55% | 0.545 | 70% | 0.702 | S | S | . | * | cis | -165.1 | 138.6 | -12.8 | 40.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 716 | F | 25.4 | Very low | 26.4 | Very low | 217 Ų | 217 | 139.9 Ų | 139.9 | 95% | 0.952 | 70% | 0.697 | S | S | * | * | trans | -124.8 | 124.9 | 144.1 | -124.4 | -85.1 | 0 | 0 | 0 | 106.7 | ||||
| 717 | N | 24.9 | Very low | 26.1 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 55% | 0.551 | 70% | 0.698 | S | S | * | * | trans | -88.2 | 160.4 | -171.5 | -71.3 | 6.1 | 0 | 0 | 0 | 110.3 | E761 | N717-E761 HydrophobicContact CB-CG 4.18Å; N717-E761 WeakPolarHBondContact CB-OE1 3.41Å | ||
| 718 | G | 31.6 | Very low | 26.4 | Very low | 55 Ų | 55 | 135.2 Ų | 135.2 | 57% | 0.567 | 69% | 0.687 | S | S | * | * | trans | 132.6 | 93.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E761 | G718-E761 PolarHBondContact N-OE1 2.89Å; G718-E761 VanDerWaalsContact N-OE1 3.08Å | ||
| 719 | D | 30.3 | Very low | 26.7 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | trans | 46.5 | 103.9 | 146.5 | -74.8 | 1.6 | 0 | 0 | 0 | 122.1 | R721 H760 | D719-R721 PolarHBondContact O-N 2.82Å; D719-H760 IonicContact OD1-CE1 3.17Å; D719-H760 PolarHBondContact OD1-CE1 3.02Å; D719-H760 IonicContact OD1-ND1 3.93Å; D719-H760 IonicContact OD1-NE2 3.99Å; D719-H760 IonicContact OD2-CE1 3.81Å | ||
| 720 | Q | 25.3 | Very low | 26.9 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 56% | 0.556 | 69% | 0.692 | S | S | * | * | 13.1 | 91.9 | 101 | -57.9 | -173.7 | 36.1 | 0 | 0 | 118.1 | N762 | Q720-N762 PolarHBondContact NE2-OD1 2.94Š| |||
| 721 | R | 29.7 | Very low | 27 | Very low | 230 Ų | 230 | 133.5 Ų | 133.5 | 87% | 0.868 | 70% | 0.695 | S | S | * | * | 177.3 | 115.3 | 122.4 | -94.7 | 154.4 | -174.4 | -168.4 | 3 | 108.3 | D719 | D719-R721 PolarHBondContact O-N 2.82Š| |||
| 722 | A | 24.9 | Very low | 27.1 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | cis | 55.6 | 57.6 | 17.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 723 | K | 25.2 | Very low | 27.1 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 80% | 0.8 | 69% | 0.692 | S | S | * | * | trans | 179.3 | 140.7 | 140.3 | -100.3 | 173.4 | 178.9 | 179.2 | 0 | 110 | ||||
| 724 | L | 24.5 | Very low | 27.1 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | cis | -159.9 | 124.2 | -7.3 | -147.8 | 173.2 | 0 | 0 | 0 | 108 | Y726 | L724-Y726 WeakPolarHBondContact O-CD2 3.47Å; L724-Y726 WeakPolarHBondContact O-CE2 3.43Å; L724-Y726 PolarHBondContact O-N 3.05Å | ||
| 725 | S | 22 | Very low | 27.1 | Very low | 91 Ų | 91 | 130.6 Ų | 130.6 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | 49.8 | -139.4 | 179.2 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 726 | Y | 38.1 | Very low | 27 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 70% | 0.698 | 68% | 0.675 | S | S | * | * | cis | -91.5 | -170.5 | -3.8 | -84.3 | -82.1 | 0 | 0 | 0 | 109.6 | L724 | L724-Y726 WeakPolarHBondContact O-CD2 3.47Å; L724-Y726 WeakPolarHBondContact O-CE2 3.43Å; L724-Y726 PolarHBondContact O-N 3.05Å | ||
| 727 | V | 30.3 | Very low | 26.9 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 70% | 0.697 | 66% | 0.663 | S | S | * | * | S | Bend | 36.1 | 72.1 | 59.1 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | |||
| 728 | D | 30 | Very low | 26.8 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 67% | 0.674 | 67% | 0.672 | S | S | * | * | trans | 64.4 | 159.9 | 147.8 | -39.9 | -37.2 | 0 | 0 | 0 | 119.3 | ||||
| 729 | N | 28.5 | Very low | 26.3 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 73% | 0.733 | 68% | 0.675 | S | S | * | * | trans | 64.6 | 155.8 | 156.1 | -56.8 | -20 | 0 | 0 | 0 | 118.3 | ||||
| 730 | H | 28.8 | Very low | 26 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | cis | -164.4 | 116 | -32.9 | -111.1 | -52.3 | 0 | 0 | 0 | 106.7 | ||||
| 731 | A | 26.2 | Very low | 25.9 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | trans | -160.6 | 155.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 732 | N | 25.8 | Very low | 25.6 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 68% | 0.679 | 69% | 0.692 | S | S | * | * | -154.7 | 156.5 | -120.3 | -120.4 | -0.6 | 0 | 0 | 0 | 114 | |||||
| 733 | F | 23.3 | Very low | 25.5 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 56% | 0.557 | 68% | 0.682 | S | S | * | * | trans | 63.3 | 140.4 | 157.1 | -86 | -79.9 | 0 | 0 | 0 | 121.7 | ||||
| 734 | R | 25 | Very low | 25.5 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | trans | 62.9 | 133.5 | 146.6 | -84.3 | 166.3 | 174.1 | -173.6 | -4.6 | 118.2 | ||||
| 735 | E | 23.7 | Very low | 25.6 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 51% | 0.509 | 69% | 0.689 | S | S | . | * | 60.9 | 136.8 | 51.3 | -65.8 | -167.7 | 134.5 | 0 | 0 | 112.9 | R1018 | E735-R1018 WeakPolarHBondContact OE1-CD 3.36Å; E735-R1018 IonicContact OE1-CZ 3.8Å; E735-R1018 IonicContact OE1-NE 2.76Å; E735-R1018 IonicContact OE1-NH1 3.59Å; E735-R1018 PolarHBondContact OE1-NH1 2.95Å; E735-R1018 WeakPolarHBondContact OE2-CD 3.41Å; E735-R1018 IonicContact OE2-NH1 2.78Å | |||
| 736 | I | 24.4 | Very low | 25.6 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 54% | 0.538 | 70% | 0.695 | S | S | . | * | cis | -160.3 | 174.5 | 9.3 | -131.1 | 168.6 | 0 | 0 | 0 | 110.9 | R1018 | I736-R1018 VanDerWaalsContact CD1-NH1 3.28Š| ||
| 737 | H | 22.3 | Very low | 25 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 70% | 0.704 | 69% | 0.692 | S | S | * | * | trans | 75 | 129.4 | 163.4 | -93.7 | -59.4 | 0 | 0 | 0 | 120.8 | ||||
| 738 | N | 22.2 | Very low | 24.7 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | 67.2 | 154.6 | 145.5 | -60.7 | -6 | 0 | 0 | 0 | 118.8 | ||||
| 739 | S | 22.1 | Very low | 24.6 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | cis | -177.4 | 154.1 | -27.1 | 55.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 740 | V | 24.3 | Very low | 24.3 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | 69.9 | 116.9 | 172.4 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 741 | N | 22.1 | Very low | 24.3 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | 82.2 | 143.9 | 65.3 | -109.6 | 28.2 | 0 | 0 | 0 | 115.2 | |||||
| 742 | E | 24.3 | Very low | 24.2 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | 68.3 | 159.9 | 166.7 | -68.6 | 162.3 | -135.6 | 0 | 0 | 118.6 | ||||
| 743 | A | 23.6 | Very low | 24.1 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 59% | 0.587 | 72% | 0.72 | S | S | * | * | cis | 179.4 | 166.4 | -40.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 744 | N | 24.3 | Very low | 24 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | 68 | 159.1 | 159.6 | -60.1 | -27.1 | 0 | 0 | 0 | 117.9 | ||||
| 745 | Y | 25.5 | Very low | 23.8 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | cis | -143.9 | 124 | -9.1 | -116.5 | -50.5 | 0 | 0 | 0 | 112.2 | ||||
| 746 | N | 23.4 | Very low | 23.7 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -10.3 | 163.1 | 150.1 | -153.7 | 18.2 | 0 | 0 | 0 | 123.6 | ||||
| 747 | V | 25 | Very low | 24.1 | Very low | 107 Ų | 107 | 133 Ų | 133 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | trans | 120.8 | 109.5 | 147.4 | 179.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 748 | N | 24.4 | Very low | 24.4 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 48.5 | 162.3 | 140.5 | -49.5 | -4.3 | 0 | 0 | 0 | 122 | ||||
| 749 | S | 26.9 | Very low | 24.8 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | cis | -152.6 | -161.8 | 17.4 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 750 | E | 23.7 | Very low | 25 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | trans | -93.5 | 162.5 | -166.1 | -53.7 | 165.7 | 126.7 | 0 | 0 | 115.5 | ||||
| 751 | G | 27.8 | Very low | 25.1 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | 175 | 147.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 752 | N | 25.1 | Very low | 25.4 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 87% | 0.866 | 73% | 0.733 | S | S | * | * | trans | -91.5 | 139.4 | -171 | -84.8 | -30.6 | 0 | 0 | 0 | 116.2 | ||||
| 753 | S | 22.1 | Very low | 25.6 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 57.3 | 136.4 | 133.4 | 76.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 754 | V | 21.8 | Very low | 25.7 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 83 | 137.3 | 159.4 | -174.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 755 | E | 20.8 | Very low | 25.7 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | 64.9 | 125.4 | 166.1 | -85.1 | -178.5 | 137.2 | 0 | 0 | 122.1 | ||||
| 756 | V | 22.3 | Very low | 25.6 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 74.1 | 159.8 | 150 | -179.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 757 | A | 32.9 | Very low | 25.7 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | trans | 82.5 | 88.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 758 | Y | 28.7 | Very low | 25.6 | Very low | 215 Ų | 215 | 135.5 Ų | 135.5 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | 45.3 | 117.3 | 131.6 | -68.1 | -80 | 0 | 0 | 0 | 123.3 | ||||
| 759 | L | 29.3 | Very low | 25.7 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | trans | 71.6 | 87.4 | 136 | -62.1 | 166.2 | 0 | 0 | 0 | 121.6 | ||||
| 760 | H | 27.4 | Very low | 25.7 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 62% | 0.616 | 74% | 0.737 | S | S | * | * | -171.2 | 176.1 | 119.7 | -132.4 | -101.2 | 0 | 0 | 0 | 114.3 | D719 | D719-H760 IonicContact OD1-CE1 3.17Å; D719-H760 PolarHBondContact OD1-CE1 3.02Å; D719-H760 IonicContact OD1-ND1 3.93Å; D719-H760 IonicContact OD1-NE2 3.99Å; D719-H760 IonicContact OD2-CE1 3.81Å | |||
| 761 | E | 26.4 | Very low | 25.6 | Very low | 68 Ų | 68 | 132.3 Ų | 132.3 | 32% | 0.318 | 73% | 0.726 | S | S | . | * | trans | 72.4 | 107.9 | 154.8 | -78.3 | -84.6 | 125.7 | 0 | 0 | 121.6 | N717 G718 | N717-E761 HydrophobicContact CB-CG 4.18Å; N717-E761 WeakPolarHBondContact CB-OE1 3.41Å; G718-E761 PolarHBondContact N-OE1 2.89Å; G718-E761 VanDerWaalsContact N-OE1 3.08Å | ||
| 762 | N | 29.1 | Very low | 25.5 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 50% | 0.497 | 72% | 0.717 | S | S | . | * | 70.5 | 161.6 | 127 | -84.7 | -29.5 | 0 | 0 | 0 | 125.4 | Q720 | Q720-N762 PolarHBondContact NE2-OD1 2.94Š| |||
| 763 | A | 27.2 | Very low | 25.7 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | trans | 87.7 | 118.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 764 | I | 26.1 | Very low | 25.7 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | trans | 70.8 | 133.4 | 140.7 | -60.5 | 170.7 | 0 | 0 | 0 | 119.9 | ||||
| 765 | S | 23.2 | Very low | 25.8 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | trans | -25.5 | 148.4 | 174.3 | 69.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 766 | R | 23.7 | Very low | 26 | Very low | 238 Ų | 238 | 132 Ų | 132 | 90% | 0.898 | 71% | 0.706 | S | S | * | * | cis | -143.7 | -179 | 35.1 | -74.9 | 178.7 | 168.7 | 157.2 | -4.3 | 113 | R768 | R766-R768 PolarHBondContact O-N 2.95Š| ||
| 767 | C | 25.8 | Very low | 26.3 | Very low | 132 Ų | 132 | 129 Ų | 129 | 89% | 0.892 | 70% | 0.703 | S | S | * | * | trans | -59.4 | 126.2 | -175 | -56.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 768 | R | 23.4 | Very low | 25.9 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 58% | 0.577 | 71% | 0.712 | S | S | * | * | trans | -106.7 | 163.1 | 145.6 | -71.5 | -172.8 | 173.5 | -159.4 | -4.4 | 107.7 | R766 V772 | R766-R768 PolarHBondContact O-N 2.95Å; R768-V772 PolarHBondContact NH1-O 3.47Å | ||
| 769 | T | 25.5 | Very low | 25.8 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 70% | 0.703 | S | S | * | * | cis | 53.9 | 154.9 | 44.9 | 61.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 770 | M | 26.6 | Very low | 25.5 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 71% | 0.709 | 70% | 0.696 | S | S | * | * | S | Bend | 43 | 106.3 | 67.4 | -101.7 | 168.7 | 167.9 | 0 | 0 | 111.7 | |||
| 771 | D | 23.3 | Very low | 25.4 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | 36.4 | 126.9 | 98.8 | -32.9 | -38.1 | 0 | 0 | 0 | 114.4 | |||||
| 772 | V | 24.3 | Very low | 25.4 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 66% | 0.661 | 73% | 0.725 | S | S | * | * | cis | -117.7 | 157.5 | 26.6 | 179.4 | 0 | 0 | 0 | 0 | 113 | R768 | R768-V772 PolarHBondContact NH1-O 3.47Š| ||
| 773 | I | 29.2 | Very low | 25.5 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -34.7 | 140.1 | 163.4 | -67.1 | 150.2 | 0 | 0 | 0 | 112.4 | S775 | I773-S775 PolarHBondContact O-N 3.13Š| ||
| 774 | L | 22.6 | Very low | 25.4 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -78.4 | 106.8 | 154.6 | -89.3 | 168.8 | 0 | 0 | 0 | 107.3 | ||||
| 775 | S | 24.1 | Very low | 25.4 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | -76.2 | 128 | 146.5 | 50.3 | 0 | 0 | 0 | 0 | 106.8 | I773 | I773-S775 PolarHBondContact O-N 3.13Š| ||
| 776 | D | 24.9 | Very low | 25.6 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | 67.7 | 164.5 | 167.2 | -45.6 | -50.5 | 0 | 0 | 0 | 116.7 | ||||
| 777 | G | 29.1 | Very low | 26 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | trans | -116.5 | -120.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 778 | Q | 23.2 | Very low | 25.9 | Very low | 184 Ų | 184 | 129.1 Ų | 129.1 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -53.5 | 148.2 | 169.6 | -64.9 | -91.9 | -15.9 | 0 | 0 | 110.8 | ||||
| 779 | P | 27.1 | Very low | 26.3 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | cis | -135.1 | -164 | 3.8 | 32.4 | -8.3 | 0 | 0 | 0 | 113.5 | ||||
| 780 | S | 23.3 | Very low | 26.2 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | trans | 31.4 | 135.8 | 144.8 | 63.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 781 | S | 25.7 | Very low | 26.3 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | 88.9 | 150.9 | 148.6 | 80.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 782 | S | 25.5 | Very low | 26.4 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | trans | -60.9 | 168.3 | 168.9 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 783 | P | 32 | Very low | 26.4 | Very low | 102 Ų | 102 | 117.1 Ų | 117.1 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | cis | -142.5 | 169.1 | 22.7 | 29.6 | -5.2 | 0 | 0 | 0 | 118.2 | ||||
| 784 | W | 25.6 | Very low | 26.1 | Very low | 246 Ų | 246 | 113 Ų | 113 | 93% | 0.932 | 65% | 0.646 | S | S | * | * | trans | 54 | 130.5 | 140.8 | -68.9 | 35.5 | 0 | 0 | 0 | 118.4 | ||||
| 785 | S | 25.6 | Very low | 26.1 | Very low | 95 Ų | 95 | 114 Ų | 114 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | cis | 178.9 | -179.1 | 26.8 | 46.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 786 | I | 27.6 | Very low | 26.2 | Very low | 148 Ų | 148 | 112.8 Ų | 112.8 | 76% | 0.759 | 63% | 0.632 | S | S | * | * | trans | 71.5 | 130 | 165.8 | -52.6 | -179.9 | 0 | 0 | 0 | 117.1 | ||||
| 787 | I | 30.6 | Very low | 26.1 | Very low | 137 Ų | 137 | 109.4 Ų | 109.4 | 70% | 0.703 | 62% | 0.618 | S | S | * | * | cis | -168.8 | 116.4 | -41.4 | -108.2 | 161.2 | 0 | 0 | 0 | 109.3 | ||||
| 788 | T | 25.3 | Very low | 26.1 | Very low | 127 Ų | 127 | 114.3 Ų | 114.3 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | trans | 58.4 | 160.9 | 150.8 | 57 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 789 | P | 30.7 | Very low | 26 | Very low | 79 Ų | 79 | 108 Ų | 108 | 51% | 0.513 | 60% | 0.604 | S | S | . | * | trans | -146.3 | -144.8 | -151.6 | 40.5 | -14.2 | 0 | 0 | 0 | 116.5 | ||||
| 790 | Q | 24.5 | Very low | 25.7 | Very low | 75 Ų | 75 | 107 Ų | 107 | 35% | 0.35 | 59% | 0.592 | S | S | . | * | trans | 52.9 | 140.4 | 144.9 | -65.6 | 162.8 | 14.5 | 0 | 0 | 125.5 | S825 S956 N957 Q958 T959 | Q790-S825 CarbonylContact C-O 3.58Å; Q790-S825 WeakPolarHBondContact CA-O 3.11Å; Q790-S956 VanDerWaalsContact CB-O 3.29Å; Q790-S956 WeakPolarHBondContact CB-O 3.42Å; Q790-S956 VanDerWaalsContact CD-C 3.43Å; Q790-S956 VanDerWaalsContact CD-OG 3.28Å; Q790-S956 WeakPolarHBondContact CG-O 3.48Å; Q790-S956 PolarHBondContact NE2-OG 2.86Å; Q790-S956 PolarHBondContact OE1-O 2.79Å; Q790-N957 WeakPolarHBondContact CB-O 3.45Å; Q790-N957 PolarHBondContact OE1-O 2.92Å; Q790-Q958 CarbonylContact O-C 3.4Å; Q790-Q958 VanDerWaalsContact O-CA 3.28Å; Q790-Q958 WeakPolarHBondContact O-CA 3.45Å; Q790-Q958 PolarHBondContact O-N 2.9Å; Q790-Q958 VanDerWaalsContact O-O 3.06Å; Q790-T959 PolarHBondContact O-N 3.4Å | ||
| 791 | H | 27.2 | Very low | 25.8 | Very low | 39 Ų | 39 | 106.9 Ų | 106.9 | 18% | 0.181 | 58% | 0.584 | C | S | . | * | trans | 154.4 | 136.4 | 138.4 | -130.3 | -1.4 | 0 | 0 | 0 | 112.4 | K824 S825 T826 N957 Q958 | H791-K824 CarbonylContact O-C 3.55Å; H791-K824 WeakPolarHBondContact O-CA 3.37Å; H791-K824 PolarHBondContact O-N 3.03Å; H791-S825 CarbonylContact C-O 3.53Å; H791-S825 WeakPolarHBondContact CA-O 3.25Å; H791-S825 PolarHBondContact N-O 2.98Å; H791-S825 PolarHBondContact O-N 3Å; H791-T826 PolarHBondContact ND1-O 3.11Å; H791-N957 VanDerWaalsContact CE1-CG 3.45Å; H791-N957 PolarHBondContact CE1-OD1 3.45Å; H791-N957 PolarHBondContact ND1-OD1 3.22Å; H791-N957 VanDerWaalsContact ND1-OD1 3.15Å; H791-Q958 WeakPolarHBondContact NE2-CG 3.22Å | ||
| 792 | F | 25.4 | Very low | 25.6 | Very low | 134 Ų | 134 | 108.7 Ų | 108.7 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | cis | -140.5 | -146.1 | 15.2 | -56 | -102.7 | 0 | 0 | 0 | 115.1 | S825 T826 E955 | F792-S825 VanDerWaalsContact N-C 3.29Å; F792-S825 CarbonylContact O-C 3.15Å; F792-S825 WeakPolarHBondContact O-CA 3.24Å; F792-T826 VanDerWaalsContact CA-N 3.27Å; F792-T826 PolarHBondContact O-N 3.48Å; F792-E955 WeakPolarHBondContact CA-OE1 3.46Å | ||
| 793 | T | 24.5 | Very low | 25.6 | Very low | 80 Ų | 80 | 110.6 Ų | 110.6 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | -104 | 173.7 | -129.9 | -38.9 | 0 | 0 | 0 | 0 | 123.6 | E955 | T793-E955 WeakPolarHBondContact CA-OE1 3.4Å; T793-E955 VanDerWaalsContact CB-CD 3.4Å; T793-E955 VanDerWaalsContact CB-OE2 3.26Å; T793-E955 WeakPolarHBondContact CB-OE2 3.29Å; T793-E955 HydrophobicContact CG2-CG 3.86Å; T793-E955 WeakPolarHBondContact CG2-OE2 3.5Å; T793-E955 PolarHBondContact N-OE1 3.27Å; T793-E955 PolarHBondContact OG1-OE1 2.97Å; T793-E955 VanDerWaalsContact OG1-OE1 3.14Å; T793-E955 PolarHBondContact OG1-OE2 3.15Å | |||
| 794 | L | 24.2 | Very low | 25.2 | Very low | 57 Ų | 57 | 109.1 Ų | 109.1 | 30% | 0.298 | 55% | 0.553 | S | S | . | * | trans | -43.4 | 145.1 | 153 | -100.1 | 151.5 | 0 | 0 | 0 | 117.1 | K953 R954 | L794-K953 HydrophobicContact CD2-CB 3.63Å; L794-K953 HydrophobicContact CG-CB 4.2Å; L794-R954 WeakPolarHBondContact CD1-O 3.26Å | ||
| 795 | R | 22.4 | Very low | 25 | Very low | 163 Ų | 163 | 103.8 Ų | 103.8 | 62% | 0.615 | 54% | 0.543 | S | S | * | . | trans | -162.8 | 146.7 | 132.8 | -119.1 | -162.6 | 171.5 | -145.9 | -4.8 | 107.6 | C797 S799 | R795-C797 VanDerWaalsContact NH2-CB 3.29Å; R795-S799 PolarHBondContact NH2-O 2.93Å | ||
| 796 | S | 26.1 | Very low | 25.2 | Very low | 68 Ų | 68 | 101.4 Ų | 101.4 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | cis | 76.1 | 163.7 | 3.6 | 98.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 797 | C | 23.3 | Very low | 25.4 | Very low | 75 Ų | 75 | 100.4 Ų | 100.4 | 51% | 0.507 | 54% | 0.535 | S | S | . | . | trans | 67.4 | 116.3 | 175.5 | -52.7 | 0 | 0 | 0 | 0 | 118.8 | R795 | R795-C797 VanDerWaalsContact NH2-CB 3.29Š| ||
| 798 | N | 27.3 | Very low | 25.3 | Very low | 175 Ų | 175 | 101.3 Ų | 101.3 | 94% | 0.936 | 54% | 0.54 | S | S | * | . | trans | -104.9 | 82.3 | 143.1 | -170.6 | 33 | 0 | 0 | 0 | 107.7 | ||||
| 799 | S | 21 | Very low | 25.3 | Very low | 53 Ų | 53 | 99.8 Ų | 99.8 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | trans | 177.6 | 141.9 | -174.9 | 167.7 | 0 | 0 | 0 | 0 | 108.8 | R795 | R795-S799 PolarHBondContact NH2-O 2.93Š| ||
| 800 | I | 21.4 | Very low | 25.1 | Very low | 80 Ų | 80 | 101.3 Ų | 101.3 | 41% | 0.41 | 54% | 0.538 | S | S | . | . | cis | -143.9 | 176.4 | -28 | -133.7 | 79.2 | 0 | 0 | 0 | 104.2 | R802 I1625 | I800-R802 PolarHBondContact O-N 2.7Å; I800-I1625 HydrophobicContact CB-CD1 3.7Å; I800-I1625 HydrophobicContact CD1-CD1 3.94Å; I800-I1625 HydrophobicContact CG1-CD1 3.79Å; I800-I1625 HydrophobicContact CG2-CD1 3.75Å | ||
| 801 | D | 25.4 | Very low | 25.2 | Very low | 93 Ų | 93 | 101.3 Ų | 101.3 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | trans | -60.9 | 117.9 | 172.7 | -113.5 | -55.9 | 0 | 0 | 0 | 112.5 | M889 | D801-M889 HydrophobicContact CB-CE 4.12Å; D801-M889 WeakPolarHBondContact OD1-CE 3.45Å | ||
| 802 | R | 21.2 | Very low | 25.3 | Very low | 154 Ų | 154 | 102.7 Ų | 102.7 | 58% | 0.581 | 57% | 0.571 | S | S | * | * | trans | -148 | 128.8 | 158 | -66.7 | -166.2 | -178.5 | 164.7 | 7.7 | 108 | I800 D1622 | I800-R802 PolarHBondContact O-N 2.7Å; R802-D1622 PolarHBondContact NH2-O 2.84Å | ||
| 803 | R | 26.8 | Very low | 25.4 | Very low | 142 Ų | 142 | 101.8 Ų | 101.8 | 54% | 0.536 | 57% | 0.572 | S | S | . | * | cis | -126.6 | 128.9 | 14.1 | -66.7 | 170.6 | 168.6 | 165.6 | -6.6 | 112 | R888 M889 | R803-R888 HydrophobicContact CB-CG 4.49Å; R803-R888 VanDerWaalsContact O-CG 3.26Å; R803-R888 WeakPolarHBondContact O-CG 3.45Å; R803-R888 PolarHBondContact O-NE 3.35Å; R803-M889 VanDerWaalsContact O-CG 3.24Å; R803-M889 WeakPolarHBondContact O-CG 3.47Å | ||
| 804 | T | 22.1 | Very low | 25.5 | Very low | 71 Ų | 71 | 104.9 Ų | 104.9 | 44% | 0.436 | 59% | 0.586 | S | S | . | * | trans | -6 | 149.5 | 148.2 | 53.4 | 0 | 0 | 0 | 0 | 117.9 | R888 M889 | T804-R888 PolarHBondContact O-NE 2.85Å; T804-R888 PolarHBondContact O-NH2 2.82Å; T804-M889 WeakPolarHBondContact CA-SD 3.18Å; T804-M889 PolarHBondContact N-SD 3.48Å | ||
| 805 | N | 22.8 | Very low | 25.6 | Very low | 134 Ų | 134 | 106.9 Ų | 106.9 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | trans | 48.8 | 108.3 | 147.4 | -58.6 | -3.4 | 0 | 0 | 0 | 119.1 | R888 | N805-R888 PolarHBondContact O-NH1 2.78Å; N805-R888 VanDerWaalsContact O-NH1 3.14Å; N805-R888 PolarHBondContact O-NH2 2.76Å | ||
| 806 | G | 30.2 | Very low | 25.8 | Very low | 45 Ų | 45 | 107 Ų | 107 | 46% | 0.464 | 61% | 0.612 | S | S | . | * | trans | 96.5 | 133.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R888 | G806-R888 PolarHBondContact O-NH1 2.81Å; G806-R888 VanDerWaalsContact O-NH1 3.11Å | ||
| 807 | T | 31.6 | Very low | 25.7 | Very low | 127 Ų | 127 | 109.1 Ų | 109.1 | 78% | 0.779 | 62% | 0.621 | S | S | * | * | cis | -157.1 | 136.8 | 7 | 28.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 808 | L | 27.8 | Very low | 25.7 | Very low | 156 Ų | 156 | 113.2 Ų | 113.2 | 82% | 0.817 | 64% | 0.638 | S | S | * | * | trans | 70.4 | 149.5 | 141 | -63.2 | 166.4 | 0 | 0 | 0 | 120.8 | ||||
| 809 | S | 26.5 | Very low | 25.8 | Very low | 96 Ų | 96 | 109.3 Ų | 109.3 | 67% | 0.671 | 62% | 0.622 | S | S | * | * | trans | 68.6 | 102.7 | 149.3 | 53.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 810 | L | 25.8 | Very low | 25.9 | Very low | 110 Ų | 110 | 116 Ų | 116 | 58% | 0.576 | 64% | 0.644 | S | S | * | * | 81 | 119.7 | 117.6 | -85.4 | 56.1 | 0 | 0 | 0 | 122.1 | S1685 | L810-S1685 WeakPolarHBondContact CD2-O 2.99Å; L810-S1685 VanDerWaalsContact CG-O 3.23Å; L810-S1685 WeakPolarHBondContact CG-O 3.33Å | |||
| 811 | S | 26.4 | Very low | 26.1 | Very low | 75 Ų | 75 | 118.2 Ų | 118.2 | 52% | 0.524 | 66% | 0.656 | S | S | . | * | trans | 67.2 | 136.5 | 137.2 | 66.9 | 0 | 0 | 0 | 0 | 121.9 | A1686 | S811-A1686 WeakPolarHBondContact CB-O 3.06Š| ||
| 812 | G | 28.6 | Very low | 26.1 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | trans | 138.7 | 109.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 813 | L | 27.1 | Very low | 26.3 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 60% | 0.602 | 68% | 0.679 | S | S | * | * | trans | -47.2 | 152.5 | 174.1 | -79.4 | 150 | 0 | 0 | 0 | 118.4 | T1688 | L813-T1688 HydrophobicContact CD1-CG2 4.35Å; L813-T1688 HydrophobicContact CD2-CG2 3.86Å; L813-T1688 HydrophobicContact CG-CG2 3.92Å | ||
| 814 | N | 28.3 | Very low | 26.3 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 78% | 0.775 | 68% | 0.681 | S | S | * | * | trans | 26 | 140.2 | 134.9 | -54.7 | -9.9 | 0 | 0 | 0 | 119.5 | ||||
| 815 | S | 26.4 | Very low | 26.6 | Very low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | cis | -171.3 | 154.9 | 36.4 | 61.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 816 | H | 25.8 | Very low | 26.9 | Very low | 167 Ų | 167 | 117.7 Ų | 117.7 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | 51.7 | 123.2 | 136.2 | -85.3 | -86.9 | 0 | 0 | 0 | 124.1 | ||||
| 817 | T | 24.3 | Very low | 27 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 68% | 0.681 | 63% | 0.629 | S | S | * | * | trans | 45 | 136.7 | 132.8 | 53.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 818 | L | 23.3 | Very low | 26.9 | Very low | 162 Ų | 162 | 116.7 Ų | 116.7 | 85% | 0.848 | 62% | 0.62 | S | S | * | * | cis | -153.8 | 179.2 | 14 | -105.2 | 154 | 0 | 0 | 0 | 108.8 | ||||
| 819 | P | 28.9 | Very low | 26.8 | Very low | 93 Ų | 93 | 115.3 Ų | 115.3 | 60% | 0.604 | 61% | 0.612 | S | S | * | * | trans | -103.3 | 179.5 | -157.5 | 41.7 | -40.3 | 0 | 0 | 0 | 115.1 | ||||
| 820 | F | 24.3 | Very low | 26.7 | Very low | 192 Ų | 192 | 119.5 Ų | 119.5 | 84% | 0.842 | 62% | 0.615 | S | S | * | * | -165.5 | 145.9 | 126.5 | -99.9 | -51.8 | 0 | 0 | 0 | 115.8 | |||||
| 821 | I | 25.6 | Very low | 26.6 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 66% | 0.656 | 62% | 0.618 | S | S | * | * | trans | 79 | 104.1 | 142.9 | -69 | 167.1 | 0 | 0 | 0 | 121.7 | ||||
| 822 | R | 24.2 | Very low | 26.5 | Very low | 202 Ų | 202 | 120.4 Ų | 120.4 | 76% | 0.762 | 62% | 0.622 | S | S | * | * | trans | 65.6 | 163.6 | 137.2 | -64.8 | -178.7 | -172.9 | -178.7 | 1.8 | 120.1 | ||||
| 823 | R | 25.1 | Very low | 26.3 | Very low | 211 Ų | 211 | 120.8 Ų | 120.8 | 80% | 0.796 | 61% | 0.611 | S | S | * | * | cis | -174.8 | 168.5 | -27 | -99.4 | 179.2 | -175.8 | -178 | 1.2 | 107 | ||||
| 824 | K | 27.2 | Very low | 26.3 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | cis | 176.4 | 140 | -25.9 | 165.6 | -115.7 | 166 | -142.4 | 0 | 110.2 | H791 | H791-K824 CarbonylContact O-C 3.55Å; H791-K824 WeakPolarHBondContact O-CA 3.37Å; H791-K824 PolarHBondContact O-N 3.03Å | ||
| 825 | S | 28.6 | Very low | 26.2 | Very low | 15 Ų | 15 | 115.8 Ų | 115.8 | 11% | 0.105 | 59% | 0.59 | C | S | . | * | trans | 72.7 | 112.3 | 159.5 | 52.7 | 0 | 0 | 0 | 0 | 123.5 | Q790 H791 F792 | Q790-S825 CarbonylContact C-O 3.58Å; Q790-S825 WeakPolarHBondContact CA-O 3.11Å; H791-S825 CarbonylContact C-O 3.53Å; H791-S825 WeakPolarHBondContact CA-O 3.25Å; H791-S825 PolarHBondContact N-O 2.98Å; H791-S825 PolarHBondContact O-N 3Å; F792-S825 VanDerWaalsContact N-C 3.29Å; F792-S825 CarbonylContact O-C 3.15Å; F792-S825 WeakPolarHBondContact O-CA 3.24Å | ||
| 826 | T | 29.8 | Very low | 26.2 | Very low | 22 Ų | 22 | 115.3 Ų | 115.3 | 14% | 0.135 | 58% | 0.583 | C | S | . | * | 123.7 | 0 | 124.8 | 67 | 0 | 0 | 0 | 0 | 120.7 | H791 F792 R954 E955 S956 N957 | H791-T826 PolarHBondContact ND1-O 3.11Å; F792-T826 VanDerWaalsContact CA-N 3.27Å; F792-T826 PolarHBondContact O-N 3.48Å; T826-R954 HydrophobicContact CG2-CB 3.58Å; T826-R954 HydrophobicContact CG2-CG 4.01Å; T826-E955 WeakPolarHBondContact CA-OE1 3.5Å; T826-E955 VanDerWaalsContact CB-CA 3.42Å; T826-E955 PolarHBondContact N-OE1 2.82Å; T826-E955 VanDerWaalsContact N-OE1 3.14Å; T826-E955 VanDerWaalsContact O-OE1 3.05Å; T826-S956 VanDerWaalsContact C-CA 3.46Å; T826-S956 VanDerWaalsContact C-N 3.35Å; T826-S956 CarbonylContact C-O 2.85Å; T826-S956 WeakPolarHBondContact CA-O 3.25Å; T826-S956 WeakPolarHBondContact CB-O 3.36Å; T826-S956 CarbonylContact O-C 3.52Å; T826-S956 PolarHBondContact OG1-O 2.99Å; T826-N957 VanDerWaalsContact O-CA 3.24Å; T826-N957 WeakPolarHBondContact O-CA 3.38Å; T826-N957 PolarHBondContact O-N 3.2Å; T826-N957 PolarHBondContact O-OD1 3Å | |||
| 827 | I | 32.1 | Very low | 26.1 | Very low | 56 Ų | 56 | 113.2 Ų | 113.2 | 29% | 0.287 | 58% | 0.577 | S | S | . | * | 0 | 159.9 | 0 | -120.8 | 165.5 | 0 | 0 | 0 | 127.2 | L829 E955 S956 N957 | I827-L829 HydrophobicContact CD1-CG 4.5Å; I827-E955 HydrophobicContact CB-CB 3.26Å; I827-E955 HydrophobicContact CB-CG 4.42Å; I827-E955 WeakPolarHBondContact CB-O 3.06Å; I827-E955 HydrophobicContact CD1-CB 3.81Å; I827-E955 HydrophobicContact CG1-CB 3.48Å; I827-E955 VanDerWaalsContact CG1-CB 3.48Å; I827-E955 HydrophobicContact CG1-CG 4.45Å; I827-E955 VanDerWaalsContact CG2-C 3.49Å; I827-E955 HydrophobicContact CG2-CB 4.42Å; I827-E955 WeakPolarHBondContact CG2-O 3.35Å; I827-E955 VanDerWaalsContact N-CD 3.26Å; I827-E955 PolarHBondContact N-OE1 2.85Å; I827-S956 VanDerWaalsContact CA-CA 3.44Å; I827-S956 PolarHBondContact N-O 3.26Å; I827-S956 CarbonylContact O-C 3.56Å; I827-S956 WeakPolarHBondContact O-CA 3.26Å; I827-N957 WeakPolarHBondContact CA-OD1 3.47Å; I827-N957 WeakPolarHBondContact O-CA 3.46Å; I827-N957 WeakPolarHBondContact O-CB 3.45Å; I827-N957 PolarHBondContact O-N 2.95Å; I827-N957 PolarHBondContact O-OD1 2.92Å; I827-N957 VanDerWaalsContact O-OD1 3.14Å | |||
| 828 | T | 28.5 | Very low | 26.1 | Very low | 96 Ų | 96 | 113.2 Ų | 113.2 | 59% | 0.589 | 58% | 0.577 | S | S | * | * | -177.2 | 176.3 | 89.7 | 7.4 | 0 | 0 | 0 | 0 | 109 | N957 | T828-N957 VanDerWaalsContact N-CG 3.27Å; T828-N957 PolarHBondContact N-ND2 2.71Å; T828-N957 VanDerWaalsContact N-ND2 3.17Å; T828-N957 PolarHBondContact N-OD1 2.8Å | |||
| 829 | L | 25.3 | Very low | 26.2 | Very low | 126 Ų | 126 | 110.8 Ų | 110.8 | 66% | 0.66 | 57% | 0.568 | S | S | * | * | -159.8 | -154.9 | -51 | -110.9 | 179.1 | 0 | 0 | 0 | 105.1 | I827 | I827-L829 HydrophobicContact CD1-CG 4.5Š| |||
| 830 | Y | 25.8 | Very low | 26 | Very low | 185 Ų | 185 | 112.6 Ų | 112.6 | 73% | 0.725 | 58% | 0.578 | S | S | * | * | cis | -160.2 | 131.7 | 1.7 | -147.6 | -59.4 | 0 | 0 | 0 | 109.5 | ||||
| 831 | T | 24 | Very low | 26.1 | Very low | 104 Ų | 104 | 107.2 Ų | 107.2 | 64% | 0.638 | 56% | 0.564 | S | S | * | * | trans | 53.8 | 146.2 | 171.3 | 35.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 832 | T | 23.9 | Very low | 26.2 | Very low | 100 Ų | 100 | 107.9 Ų | 107.9 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | trans | 62.2 | 177.3 | 157.4 | 36.2 | 0 | 0 | 0 | 0 | 119.4 | F878 | T832-F878 VanDerWaalsContact C-CE1 3.48Å; T832-F878 VanDerWaalsContact C-CZ 3.4Å; T832-F878 WeakPolarHBondContact O-CE1 3.33Å; T832-F878 WeakPolarHBondContact OG1-CZ 3.43Å | ||
| 833 | T | 24.8 | Very low | 26.5 | Very low | 77 Ų | 77 | 103.3 Ų | 103.3 | 47% | 0.472 | 56% | 0.564 | S | S | . | * | -146.4 | 164.3 | -78.5 | 19.1 | 0 | 0 | 0 | 0 | 114.1 | F878 | T833-F878 VanDerWaalsContact N-CE2 3.25Å; T833-F878 VanDerWaalsContact N-CZ 3.35Å; T833-F878 WeakPolarHBondContact O-CB 3.37Å; T833-F878 WeakPolarHBondContact O-CD2 3.45Å; T833-F878 WeakPolarHBondContact O-CG 3.48Å; T833-F878 PolarHBondContact O-N 3.2Å | |||
| 834 | T | 26.3 | Very low | 26.6 | Very low | 72 Ų | 72 | 97.6 Ų | 97.6 | 44% | 0.442 | 55% | 0.552 | S | S | . | * | trans | 56.7 | 104.6 | 151 | 48.7 | 0 | 0 | 0 | 0 | 122.7 | Y877 F878 | T834-Y877 CarbonylContact O-C 3.19Å; T834-Y877 PolarHBondContact O-N 2.83Å; T834-Y877 VanDerWaalsContact O-N 3.17Å; T834-F878 PolarHBondContact O-N 2.98Å | ||
| 835 | T | 26.2 | Very low | 26.4 | Very low | 82 Ų | 82 | 95.2 Ų | 95.2 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | 61.3 | 129.3 | 123 | 64.5 | 0 | 0 | 0 | 0 | 123.6 | A876 | T835-A876 WeakPolarHBondContact OG1-CA 3.48Å; T835-A876 WeakPolarHBondContact OG1-CB 3.33Å | |||
| 836 | T | 25.5 | Very low | 26.5 | Very low | 89 Ų | 89 | 99.8 Ų | 99.8 | 55% | 0.546 | 57% | 0.574 | S | S | . | * | trans | 65.9 | 137.7 | 132.4 | 55.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 837 | I | 25.5 | Very low | 25.9 | Very low | 123 Ų | 123 | 106.1 Ų | 106.1 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | trans | 62.7 | 121.4 | 142.8 | -64.1 | 165.8 | 0 | 0 | 0 | 114.5 | Y877 | I837-Y877 VanDerWaalsContact O-CE1 3.22Å; I837-Y877 WeakPolarHBondContact O-CE1 3.38Å; I837-Y877 PolarHBondContact O-OH 3.38Å | ||
| 838 | T | 24.2 | Very low | 25.5 | Very low | 111 Ų | 111 | 109.1 Ų | 109.1 | 68% | 0.681 | 63% | 0.628 | S | S | * | * | cis | -144.3 | 161.9 | 47.5 | -16.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 839 | T | 24.2 | Very low | 25.4 | Very low | 110 Ų | 110 | 107.6 Ų | 107.6 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | trans | -37.7 | 147.6 | 148.4 | 53.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 840 | T | 25.2 | Very low | 25.3 | Very low | 132 Ų | 132 | 107.1 Ų | 107.1 | 81% | 0.81 | 62% | 0.616 | S | S | * | * | 170.8 | 149.9 | 116.5 | 34.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 841 | S | 25.8 | Very low | 25.4 | Very low | 79 Ų | 79 | 105.5 Ų | 105.5 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | cis | -176.7 | 157 | -25.9 | 51.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 842 | N | 28.6 | Very low | 25.5 | Very low | 142 Ų | 142 | 106 Ų | 106 | 76% | 0.759 | 62% | 0.621 | S | S | * | * | trans | 68.2 | 151.9 | 149.1 | -62.3 | -4.6 | 0 | 0 | 0 | 116.2 | ||||
| 843 | T | 29.5 | Very low | 25.8 | Very low | 105 Ų | 105 | 105.1 Ų | 105.1 | 64% | 0.644 | 63% | 0.633 | S | S | * | * | cis | -154.8 | 173.9 | -3.4 | 0.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 844 | T | 27.8 | Very low | 25.9 | Very low | 91 Ų | 91 | 110.2 Ų | 110.2 | 56% | 0.558 | 65% | 0.648 | S | S | * | * | trans | 63.5 | 145.9 | 154.7 | 45.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 845 | N | 23 | Very low | 25.8 | Very low | 82 Ų | 82 | 114.8 Ų | 114.8 | 44% | 0.439 | 66% | 0.662 | S | S | . | * | cis | -95.6 | 167.9 | -9.7 | -70.6 | -79.1 | 0 | 0 | 0 | 109.8 | N847 P849 | N845-N847 CarbonylContact C-O 3.59Å; N845-N847 VanDerWaalsContact O-O 3.11Å; N845-P849 WeakPolarHBondContact CB-O 3.48Å; N845-P849 PolarHBondContact N-O 2.99Å; N845-P849 PolarHBondContact ND2-O 3.14Å | ||
| 846 | T | 30.8 | Very low | 25.8 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 69% | 0.687 | 67% | 0.672 | S | S | * | * | S | Bend | cis | 59 | 79.2 | 42.4 | 41.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 847 | N | 18.1 | Very low | 25.7 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 83% | 0.829 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 58.9 | -161.8 | -149.6 | -56.1 | -66 | 0 | 0 | 0 | 110.6 | N845 | N845-N847 CarbonylContact C-O 3.59Å; N845-N847 VanDerWaalsContact O-O 3.11Å |
| 848 | T | 21.9 | Very low | 25.7 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 72% | 0.724 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -47.7 | 152.5 | 143.3 | 46.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 849 | P | 26.2 | Very low | 25.8 | Very low | 64 Ų | 64 | 116.8 Ų | 116.8 | 42% | 0.416 | 68% | 0.679 | S | S | . | * | cis | -147.7 | -159.9 | -7.3 | 29.4 | -2.5 | 0 | 0 | 0 | 113.7 | N845 | N845-P849 WeakPolarHBondContact CB-O 3.48Å; N845-P849 PolarHBondContact N-O 2.99Å; N845-P849 PolarHBondContact ND2-O 3.14Å | ||
| 850 | I | 24.5 | Very low | 26 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | trans | 75.5 | 117.6 | 131.2 | -89.6 | 165.2 | 0 | 0 | 0 | 121.5 | ||||
| 851 | H | 26.9 | Very low | 26.1 | Very low | 151 Ų | 151 | 119.1 Ų | 119.1 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | trans | 82.7 | 115.2 | 133.9 | -81.1 | -147.7 | 0 | 0 | 0 | 124.3 | ||||
| 852 | C | 26.7 | Very low | 26.3 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | 51.9 | 109.9 | 112.3 | -55.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 853 | G | 30.3 | Very low | 26.4 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | trans | -146.9 | 93.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 854 | K | 26 | Very low | 26.3 | Very low | 183 Ų | 183 | 124.1 Ų | 124.1 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | trans | -79.1 | 156.4 | -176 | -61.8 | 173.9 | 176.7 | 172.7 | 0 | 113.3 | ||||
| 855 | F | 25 | Very low | 26.3 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | trans | 82.1 | 132.3 | 141.7 | -78.5 | -49.9 | 0 | 0 | 0 | 122.3 | ||||
| 856 | N | 25.4 | Very low | 26.6 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | trans | 86.2 | 104.1 | 130.7 | -72.5 | -3 | 0 | 0 | 0 | 123.1 | ||||
| 857 | S | 24.8 | Very low | 26.5 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 66% | 0.657 | 65% | 0.654 | S | S | * | * | 98.1 | 123.7 | 100.4 | 75.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 858 | T | 25.3 | Very low | 27 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 69% | 0.693 | 64% | 0.644 | S | S | * | * | 82.3 | 110.2 | 127.3 | 52.4 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 859 | T | 26.9 | Very low | 27.4 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 66% | 0.663 | 65% | 0.647 | S | S | * | * | 96.5 | 147.2 | 114.9 | 58.6 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 860 | Y | 27.8 | Very low | 27.5 | Very low | 211 Ų | 211 | 123 Ų | 123 | 83% | 0.827 | 66% | 0.663 | S | S | * | * | trans | 67.7 | 154.7 | 158.3 | -65.3 | -63.9 | 0 | 0 | 0 | 119 | ||||
| 861 | S | 27.4 | Very low | 27.5 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 57% | 0.566 | 67% | 0.667 | S | S | * | * | cis | 176.6 | 148.2 | -48 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 862 | R | 29.7 | Very low | 27.4 | Very low | 217 Ų | 217 | 122.4 Ų | 122.4 | 82% | 0.819 | 67% | 0.673 | S | S | * | * | 157.8 | 148.1 | 118.1 | -95.6 | 176.8 | 176.3 | 175.1 | -1.2 | 114.8 | |||||
| 863 | N | 29.7 | Very low | 27.4 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | trans | 63.8 | 120.8 | 153.7 | -59 | -9.3 | 0 | 0 | 0 | 118.2 | ||||
| 864 | L | 28.7 | Very low | 27.1 | Very low | 80 Ų | 80 | 126 Ų | 126 | 42% | 0.419 | 67% | 0.672 | S | S | . | * | cis | -148.8 | -125.3 | -3.4 | -164.4 | 54.5 | 0 | 0 | 0 | 112.9 | T535 | T535-L864 HydrophobicContact CG2-CD2 4.36Š| ||
| 865 | T | 28 | Very low | 27 | Very low | 62 Ų | 62 | 120.1 Ų | 120.1 | 38% | 0.38 | 66% | 0.664 | S | S | . | * | trans | -154.5 | 175.8 | -163.7 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | S534 | S534-T865 VanDerWaalsContact CA-O 3.26Å; S534-T865 WeakPolarHBondContact CA-O 3.42Å; S534-T865 WeakPolarHBondContact CB-O 3.21Å | ||
| 866 | N | 29 | Very low | 26.9 | Very low | 27 Ų | 27 | 114 Ų | 114 | 14% | 0.144 | 64% | 0.644 | C | S | . | * | trans | 102.4 | -179.4 | 166.5 | -60.8 | 35.2 | 0 | 0 | 0 | 117.1 | S534 T535 V536 | S534-N866 VanDerWaalsContact CA-O 3.31Å; S534-N866 WeakPolarHBondContact CA-O 3.47Å; S534-N866 PolarHBondContact N-O 3.42Å; T535-N866 VanDerWaalsContact C-ND2 3.33Å; T535-N866 PolarHBondContact O-ND2 3.06Å; V536-N866 PolarHBondContact N-ND2 3.02Å; V536-N866 PolarHBondContact O-ND2 3.43Å | ||
| 867 | Y | 28.5 | Very low | 27 | Very low | 184 Ų | 184 | 114.3 Ų | 114.3 | 72% | 0.722 | 64% | 0.637 | S | S | * | * | -164.1 | 149.4 | -69.5 | -78.3 | -30.7 | 0 | 0 | 0 | 110.2 | |||||
| 868 | A | 27.8 | Very low | 27.6 | Very low | 74 Ų | 74 | 115 Ų | 115 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | cis | -168.3 | 147.5 | -18.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 869 | T | 29.9 | Very low | 27.9 | Very low | 128 Ų | 128 | 114.1 Ų | 114.1 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | S | Bend | -175.5 | 114.6 | 107.9 | 21.3 | 0 | 0 | 0 | 0 | 111.2 | |||
| 870 | T | 28.7 | Very low | 27.9 | Very low | 124 Ų | 124 | 119.3 Ų | 119.3 | 76% | 0.761 | 64% | 0.638 | S | S | * | * | trans | 48.2 | 110.5 | 159.3 | 54 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 871 | S | 24.4 | Very low | 27.8 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 69% | 0.685 | 63% | 0.632 | S | S | * | * | cis | 60.9 | 142.2 | 18.8 | 96.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 872 | L | 26.2 | Very low | 27.8 | Very low | 155 Ų | 155 | 115.4 Ų | 115.4 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | cis | -131.1 | -174.1 | 0.9 | -55.2 | 153.5 | 0 | 0 | 0 | 108.2 | ||||
| 873 | I | 26.7 | Very low | 27.6 | Very low | 156 Ų | 156 | 109.7 Ų | 109.7 | 80% | 0.8 | 64% | 0.64 | S | S | * | * | cis | -154.3 | -178.1 | 2.3 | -149.2 | 165.5 | 0 | 0 | 0 | 109.7 | ||||
| 874 | S | 23 | Very low | 27.5 | Very low | 116 Ų | 116 | 112.8 Ų | 112.8 | 81% | 0.811 | 65% | 0.647 | S | S | * | * | trans | -87.6 | -165.8 | 172.5 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 875 | G | 23.1 | Very low | 27.4 | Very low | 61 Ų | 61 | 115.3 Ų | 115.3 | 63% | 0.629 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -88 | 175.6 | 178 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 876 | A | 24.6 | Very low | 27.5 | Very low | 40 Ų | 40 | 116.6 Ų | 116.6 | 33% | 0.331 | 67% | 0.67 | S | S | . | * | trans | 71.1 | 169.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | T835 | T835-A876 WeakPolarHBondContact OG1-CA 3.48Å; T835-A876 WeakPolarHBondContact OG1-CB 3.33Å | ||
| 877 | Y | 26.1 | Very low | 27.5 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 54% | 0.537 | 70% | 0.704 | S | S | . | * | trans | 77.4 | 93.4 | 174.5 | -60.1 | -71.4 | 0 | 0 | 0 | 119.8 | T834 I837 | T834-Y877 CarbonylContact O-C 3.19Å; T834-Y877 PolarHBondContact O-N 2.83Å; T834-Y877 VanDerWaalsContact O-N 3.17Å; I837-Y877 VanDerWaalsContact O-CE1 3.22Å; I837-Y877 WeakPolarHBondContact O-CE1 3.38Å; I837-Y877 PolarHBondContact O-OH 3.38Å | ||
| 878 | F | 37.9 | Very low | 27.2 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 47% | 0.474 | 69% | 0.691 | S | S | . | * | -90.5 | 141.2 | 118.8 | -92.4 | -143 | 0 | 0 | 0 | 108.1 | T832 T833 T834 | T832-F878 VanDerWaalsContact C-CE1 3.48Å; T832-F878 VanDerWaalsContact C-CZ 3.4Å; T832-F878 WeakPolarHBondContact O-CE1 3.33Å; T832-F878 WeakPolarHBondContact OG1-CZ 3.43Å; T833-F878 VanDerWaalsContact N-CE2 3.25Å; T833-F878 VanDerWaalsContact N-CZ 3.35Å; T833-F878 WeakPolarHBondContact O-CB 3.37Å; T833-F878 WeakPolarHBondContact O-CD2 3.45Å; T833-F878 WeakPolarHBondContact O-CG 3.48Å; T833-F878 PolarHBondContact O-N 3.2Å; T834-F878 PolarHBondContact O-N 2.98Å | |||
| 879 | P | 32.2 | Very low | 27 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 62% | 0.623 | 68% | 0.68 | S | S | * | * | -158.6 | 151.2 | 89.8 | 39.5 | -20.1 | 0 | 0 | 0 | 118.5 | |||||
| 880 | F | 26.5 | Very low | 27.1 | Very low | 217 Ų | 217 | 121.1 Ų | 121.1 | 95% | 0.952 | 67% | 0.671 | S | S | * | * | -152 | 137.9 | 121 | -78.2 | -74.4 | 0 | 0 | 0 | 104.5 | |||||
| 881 | G | 24.8 | Very low | 27 | Very low | 68 Ų | 68 | 120.9 Ų | 120.9 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | cis | 132.6 | 116.5 | 17.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 882 | V | 28.3 | Very low | 27 | Very low | 141 Ų | 141 | 121.9 Ų | 121.9 | 86% | 0.855 | 67% | 0.671 | S | S | * | * | -171.6 | 137.8 | 72.6 | 155.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 883 | S | 24.8 | Very low | 26.9 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | trans | 65.7 | 139.8 | 153 | -171.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 884 | K | 28.8 | Very low | 26.8 | Very low | 198 Ų | 198 | 114.5 Ų | 114.5 | 86% | 0.861 | 66% | 0.661 | S | S | * | * | cis | -156.5 | 171.1 | -11.8 | -110.7 | 173.8 | -174.1 | 177.5 | 0 | 110.9 | ||||
| 885 | N | 26.5 | Very low | 27.1 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | trans | -60.1 | 158.8 | -164.1 | -80.4 | -25.6 | 0 | 0 | 0 | 120.3 | ||||
| 886 | P | 30.5 | Very low | 27.1 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 57% | 0.571 | 65% | 0.648 | S | S | * | * | trans | -97.5 | 167.8 | 159 | 40 | -34.3 | 0 | 0 | 0 | 114.2 | ||||
| 887 | Y | 27.7 | Very low | 27.2 | Very low | 220 Ų | 220 | 124.9 Ų | 124.9 | 86% | 0.863 | 66% | 0.662 | S | S | * | * | trans | -137.8 | 168.2 | 162.3 | -79.1 | -78.4 | 0 | 0 | 0 | 110.6 | ||||
| 888 | R | 23.7 | Very low | 27.2 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 44% | 0.442 | 67% | 0.668 | S | S | . | * | -173.3 | 101.7 | -72 | 179.3 | -178.6 | -162 | -175.9 | 12.2 | 111.5 | R803 T804 N805 G806 | R803-R888 HydrophobicContact CB-CG 4.49Å; R803-R888 VanDerWaalsContact O-CG 3.26Å; R803-R888 WeakPolarHBondContact O-CG 3.45Å; R803-R888 PolarHBondContact O-NE 3.35Å; T804-R888 PolarHBondContact O-NE 2.85Å; T804-R888 PolarHBondContact O-NH2 2.82Å; N805-R888 PolarHBondContact O-NH1 2.78Å; N805-R888 VanDerWaalsContact O-NH1 3.14Å; N805-R888 PolarHBondContact O-NH2 2.76Å; G806-R888 PolarHBondContact O-NH1 2.81Å; G806-R888 VanDerWaalsContact O-NH1 3.11Å | |||
| 889 | M | 22.2 | Very low | 26.6 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 39% | 0.394 | 68% | 0.681 | S | S | . | * | trans | 64.5 | -178.4 | 150.9 | -105.8 | -154.3 | 164.6 | 0 | 0 | 118.4 | D801 R803 T804 | D801-M889 HydrophobicContact CB-CE 4.12Å; D801-M889 WeakPolarHBondContact OD1-CE 3.45Å; R803-M889 VanDerWaalsContact O-CG 3.24Å; R803-M889 WeakPolarHBondContact O-CG 3.47Å; T804-M889 WeakPolarHBondContact CA-SD 3.18Å; T804-M889 PolarHBondContact N-SD 3.48Å | ||
| 890 | P | 32.3 | Very low | 26.1 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 59% | 0.591 | 69% | 0.688 | S | S | * | * | cis | -146.6 | 179.8 | -32.2 | 38.2 | -18.9 | 0 | 0 | 0 | 119.5 | ||||
| 891 | I | 26 | Very low | 25.9 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | trans | 52.2 | 132.7 | 157.6 | -5.7 | 175 | 0 | 0 | 0 | 122.9 | ||||
| 892 | S | 24.1 | Very low | 26 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 69% | 0.685 | S | S | * | * | 140.7 | 172.8 | 117.2 | 70.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 893 | A | 25.5 | Very low | 25.8 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 84% | 0.835 | 68% | 0.679 | S | S | * | * | trans | -122.1 | 166.1 | -152.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 894 | G | 24.9 | Very low | 25.8 | Very low | 56 Ų | 56 | 128.7 Ų | 128.7 | 58% | 0.577 | 67% | 0.674 | S | S | * | * | trans | 135.7 | 75 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 895 | Q | 27.8 | Very low | 25.6 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | trans | 63.3 | 177.2 | 156.2 | -48.3 | -177.5 | -11.4 | 0 | 0 | 115.2 | ||||
| 896 | R | 24.1 | Very low | 25.6 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 40% | 0.4 | 67% | 0.667 | S | S | . | * | cis | -131.2 | -135.3 | 7.8 | -77.3 | 168 | 176.8 | 168.9 | -11 | 111.6 | A1693 T1694 S1695 | R896-A1693 HydrophobicContact CB-CB 3.83Å; R896-A1693 VanDerWaalsContact CD-C 3.47Å; R896-A1693 VanDerWaalsContact CD-CB 3.48Å; R896-A1693 WeakPolarHBondContact CD-O 3.43Å; R896-A1693 HydrophobicContact CG-CB 3.54Å; R896-A1693 PolarHBondContact NH1-O 3.03Å; R896-T1694 VanDerWaalsContact CB-C 3.45Å; R896-T1694 WeakPolarHBondContact CB-O 3.47Å; R896-S1695 WeakPolarHBondContact CD-OG 3.44Å; R896-S1695 VanDerWaalsContact CG-OG 3.24Å; R896-S1695 WeakPolarHBondContact CG-OG 3.35Å | ||
| 897 | R | 25.9 | Very low | 25.8 | Very low | 168 Ų | 168 | 131.6 Ų | 131.6 | 63% | 0.634 | 68% | 0.676 | S | S | * | * | trans | -165.1 | 149.2 | -163.6 | -152.4 | -180 | -155 | -123.8 | 15.3 | 112.9 | T1694 | R897-T1694 PolarHBondContact N-O 3.05Š| ||
| 898 | W | 27 | Very low | 25.5 | Very low | 174 Ų | 174 | 123.4 Ų | 123.4 | 66% | 0.659 | 66% | 0.659 | S | S | * | * | trans | 70.2 | 147.1 | 178.1 | -36.8 | 97.7 | 0 | 0 | 0 | 114.1 | T1694 | W898-T1694 PolarHBondContact O-OG1 3.32Š| ||
| 899 | A | 24.5 | Very low | 25.6 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | cis | -123.6 | 134.1 | 15.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 900 | L | 23.1 | Very low | 25.6 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | 78.2 | 102.1 | 85.6 | -164.7 | 84.7 | 0 | 0 | 0 | 114.7 | |||||
| 901 | V | 22.3 | Very low | 25.4 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 84% | 0.836 | 70% | 0.695 | S | S | * | * | trans | -132.3 | 124.9 | 149.9 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 902 | R | 25.4 | Very low | 25.3 | Very low | 199 Ų | 199 | 124.2 Ų | 124.2 | 75% | 0.751 | 69% | 0.691 | S | S | * | * | trans | -121.4 | 146.5 | 154.5 | -85 | -166.8 | -179.8 | -162 | 2.1 | 106.1 | ||||
| 903 | P | 24.7 | Very low | 25.4 | Very low | 113 Ų | 113 | 122 Ų | 122 | 73% | 0.734 | 67% | 0.674 | S | S | * | * | -94.7 | 156.2 | 87.3 | -22.5 | 38.1 | 0 | 0 | 0 | 112.2 | |||||
| 904 | S | 24.1 | Very low | 25.3 | Very low | 83 Ų | 83 | 121 Ų | 121 | 58% | 0.58 | 65% | 0.652 | S | S | * | * | cis | 74.6 | 125.5 | 42.9 | -78.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 905 | D | 26.4 | Very low | 25.3 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 69% | 0.69 | 66% | 0.661 | S | S | * | * | cis | -144.2 | 166.8 | -12.9 | -80.6 | -53.4 | 0 | 0 | 0 | 108.4 | ||||
| 906 | E | 26 | Very low | 25.2 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | -176.3 | 168.2 | 99.8 | -96.8 | -162.7 | 154.8 | 0 | 0 | 112.7 | |||||
| 907 | Y | 33.7 | Very low | 25.2 | Very low | 194 Ų | 194 | 123.9 Ų | 123.9 | 76% | 0.761 | 67% | 0.672 | S | S | * | * | trans | 9.9 | 130.5 | 172.4 | -56.8 | -74.1 | 0 | 0 | 0 | 120.9 | ||||
| 908 | G | 22.2 | Very low | 25.1 | Very low | 48 Ų | 48 | 119.4 Ų | 119.4 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | cis | 106 | 28.7 | 14.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K79 | K79-G908 WeakPolarHBondContact CE-O 3.41Å; K79-G908 PolarHBondContact NZ-O 3.13Å; K79-G908 VanDerWaalsContact NZ-O 3.07Å | ||
| 909 | G | 25.6 | Very low | 24.9 | Very low | 69 Ų | 69 | 116.3 Ų | 116.3 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | trans | -103.6 | 119.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 910 | T | 23 | Very low | 25 | Very low | 109 Ų | 109 | 116 Ų | 116 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | trans | -80.9 | 115 | 174.5 | 46.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 911 | I | 27 | Very low | 25.2 | Very low | 159 Ų | 159 | 116.4 Ų | 116.4 | 82% | 0.815 | 66% | 0.661 | S | S | * | * | trans | -104.2 | 115.4 | 174.2 | -60 | 178.7 | 0 | 0 | 0 | 109.5 | ||||
| 912 | T | 25.3 | Very low | 25.3 | Very low | 86 Ų | 86 | 115.4 Ų | 115.4 | 53% | 0.528 | 65% | 0.65 | S | S | . | * | trans | -85.9 | 119.1 | 177.1 | 50.1 | 0 | 0 | 0 | 0 | 111.4 | H914 | T912-H914 PolarHBondContact O-N 3Š| ||
| 913 | P | 26 | Very low | 25.5 | Very low | 73 Ų | 73 | 111.9 Ų | 111.9 | 47% | 0.474 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -86.3 | 71.6 | -165.4 | 34.2 | -37.9 | 0 | 0 | 0 | 114.1 | R151 | R151-P913 PolarHBondContact NH2-O 2.96Š|
| 914 | H | 23.2 | Very low | 25.4 | Very low | 80 Ų | 80 | 112.3 Ų | 112.3 | 37% | 0.37 | 64% | 0.641 | S | S | . | * | trans | -166.7 | 155.9 | 159.3 | -84.8 | -59.1 | 0 | 0 | 0 | 108.8 | D144 R151 T912 K1189 | D144-H914 IonicContact OD2-CD2 3.8Å; R151-H914 PolarHBondContact NH1-O 3.44Å; R151-H914 PolarHBondContact NH2-CD2 3.36Å; R151-H914 VanDerWaalsContact NH2-CD2 3.29Å; T912-H914 PolarHBondContact O-N 3Å; H914-K1189 WeakPolarHBondContact CE1-CD 3.33Å; H914-K1189 WeakPolarHBondContact NE2-CD 3.41Å; H914-K1189 PolarHBondContact NE2-NZ 3.23Å; H914-K1189 VanDerWaalsContact NE2-NZ 3.15Å | ||
| 915 | C | 24.7 | Very low | 25.5 | Very low | 114 Ų | 114 | 115.4 Ų | 115.4 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | trans | 74.9 | 51.5 | -170.6 | -62.3 | 0 | 0 | 0 | 0 | 115.4 | I917 | C915-I917 PolarHBondContact O-N 2.85Š| ||
| 916 | I | 25.5 | Very low | 25.4 | Very low | 161 Ų | 161 | 113.9 Ų | 113.9 | 83% | 0.826 | 64% | 0.635 | S | S | * | * | trans | -75.2 | 76.2 | 144.9 | -55.5 | -179.7 | 0 | 0 | 0 | 107.4 | T918 | I916-T918 HydrophobicContact CG2-CG2 4.25Š| ||
| 917 | I | 24.4 | Very low | 25.3 | Very low | 108 Ų | 108 | 117 Ų | 117 | 55% | 0.554 | 64% | 0.641 | S | S | * | * | trans | -83.6 | 115.6 | 146.2 | -67.9 | 177.1 | 0 | 0 | 0 | 104.2 | C915 S919 | C915-I917 PolarHBondContact O-N 2.85Å; I917-S919 PolarHBondContact O-N 3.04Å; I917-S919 VanDerWaalsContact O-N 3.12Å | ||
| 918 | T | 23.1 | Very low | 24.9 | Very low | 74 Ų | 74 | 112.6 Ų | 112.6 | 45% | 0.454 | 64% | 0.636 | S | S | . | * | trans | -68.2 | 105.3 | 166.9 | 31.5 | 0 | 0 | 0 | 0 | 108.6 | E421 I916 | E421-T918 VanDerWaalsContact OE1-CB 3.24Å; E421-T918 WeakPolarHBondContact OE1-CB 3.39Å; E421-T918 PolarHBondContact OE1-OG1 3.22Å; I916-T918 HydrophobicContact CG2-CG2 4.25Å | ||
| 919 | S | 23.9 | Very low | 25.1 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 76% | 0.762 | 65% | 0.65 | S | S | * | * | trans | -107.7 | 98.9 | 155.7 | 55 | 0 | 0 | 0 | 0 | 107.2 | I917 | I917-S919 PolarHBondContact O-N 3.04Å; I917-S919 VanDerWaalsContact O-N 3.12Å | ||
| 920 | T | 25 | Very low | 25.5 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 51% | 0.509 | 65% | 0.648 | S | S | . | * | trans | -69.2 | 129 | 165.6 | 44.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 921 | D | 27.1 | Very low | 25.6 | Very low | 157 Ų | 157 | 118.9 Ų | 118.9 | 84% | 0.84 | 66% | 0.656 | S | S | * | * | trans | -109.8 | 121.7 | 143.5 | -89.9 | -47.5 | 0 | 0 | 0 | 105.8 | ||||
| 922 | D | 25.9 | Very low | 25.9 | Very low | 116 Ų | 116 | 116.1 Ų | 116.1 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | trans | -80.4 | 175.4 | -175.2 | -52.6 | -72.2 | 0 | 0 | 0 | 110.8 | D924 | D922-D924 HydrophobicContact CB-CB 4.31Š| ||
| 923 | I | 28.4 | Very low | 25.9 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 65% | 0.646 | 67% | 0.665 | S | S | * | * | -161.3 | 123.5 | 72.2 | -76.4 | 150.3 | 0 | 0 | 0 | 106.1 | |||||
| 924 | D | 23.1 | Very low | 26.1 | Very low | 121 Ų | 121 | 123 Ų | 123 | 65% | 0.647 | 66% | 0.663 | S | S | * | * | cis | 89.8 | 98 | 40 | -167.3 | 37.7 | 0 | 0 | 0 | 114.4 | D922 | D922-D924 HydrophobicContact CB-CB 4.31Š| ||
| 925 | F | 25.9 | Very low | 26.3 | Very low | 149 Ų | 149 | 125.6 Ų | 125.6 | 65% | 0.654 | 68% | 0.679 | S | S | * | * | trans | -153.6 | 128.5 | 162.9 | -91.4 | -84.1 | 0 | 0 | 0 | 108.9 | N711 | N711-F925 WeakPolarHBondContact OD1-CE1 3.43Å; N711-F925 VanDerWaalsContact OD1-CZ 3.24Å; N711-F925 WeakPolarHBondContact OD1-CZ 3.46Å | ||
| 926 | M | 25 | Very low | 26.6 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 48% | 0.478 | 67% | 0.674 | S | S | . | * | cis | -158.8 | 136.2 | -19.6 | -135.3 | -167.6 | 78.3 | 0 | 0 | 109.4 | P928 | M926-P928 HydrophobicContact CE-CG 4.47Š| ||
| 927 | Y | 23.4 | Very low | 27 | Very low | 225 Ų | 225 | 123 Ų | 123 | 88% | 0.882 | 66% | 0.661 | S | S | * | * | trans | -132.8 | 122.9 | 162.6 | -102.1 | -77.4 | 0 | 0 | 0 | 109.4 | ||||
| 928 | P | 26.4 | Very low | 27.4 | Very low | 101 Ų | 101 | 123.1 Ų | 123.1 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | trans | -85 | 145.7 | 153.9 | 33.4 | -27.8 | 0 | 0 | 0 | 110 | M926 | M926-P928 HydrophobicContact CE-CG 4.47Š| ||
| 929 | A | 24.5 | Very low | 28 | Very low | 94 Ų | 94 | 126.2 Ų | 126.2 | 78% | 0.777 | 67% | 0.666 | S | S | * | * | trans | -115.3 | -169.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 930 | P | 34.3 | Very low | 28.7 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | cis | -139.2 | -176.4 | -6 | 41.9 | -23.9 | 0 | 0 | 0 | 115.8 | ||||
| 931 | L | 24.6 | Very low | 29.2 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 83% | 0.832 | 65% | 0.649 | S | S | * | * | trans | 70.3 | 158.8 | 162.2 | -63.9 | 161.5 | 0 | 0 | 0 | 117.5 | ||||
| 932 | P | 34.9 | Very low | 29.8 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | -129.4 | -162.9 | -59.4 | 37 | -19.7 | 0 | 0 | 0 | 112.4 | |||||
| 933 | Y | 24.8 | Very low | 30.5 | Very low | 221 Ų | 221 | 122.2 Ų | 122.2 | 87% | 0.867 | 63% | 0.629 | S | S | * | * | trans | 81 | 157.2 | -174.2 | -80.2 | -96 | 0 | 0 | 0 | 117.2 | ||||
| 934 | N | 29.6 | Very low | 31.1 | Very low | 83 Ų | 83 | 119.1 Ų | 119.1 | 44% | 0.444 | 61% | 0.614 | S | S | . | * | trans | 68.4 | 43.6 | 170.1 | -61.5 | -4.8 | 0 | 0 | 0 | 119.5 | C936 Q937 I938 | N934-C936 PolarHBondContact O-N 3.15Å; N934-Q937 HydrophobicContact CB-CB 4.05Å; N934-Q937 HydrophobicContact CB-CG 3.99Å; N934-Q937 VanDerWaalsContact ND2-CD 3.3Å; N934-Q937 PolarHBondContact ND2-OE1 2.74Å; N934-Q937 PolarHBondContact O-N 3.05Å; N934-I938 PolarHBondContact O-N 3.2Å | ||
| 935 | L | 28.5 | Very low | 31.7 | Very low | 133 Ų | 133 | 119 Ų | 119 | 70% | 0.696 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -53.1 | -34.4 | 163.7 | -99.5 | 164.6 | 0 | 0 | 0 | 113.6 | Q937 I938 W939 | L935-Q937 VanDerWaalsContact C-N 3.3Å; L935-Q937 PolarHBondContact O-N 2.6Å; L935-I938 PolarHBondContact O-N 2.98Å; L935-I938 VanDerWaalsContact O-N 3.12Å; L935-W939 PolarHBondContact O-N 3.49Å |
| 936 | C | 31.1 | Very low | 32.2 | Very low | 99 Ų | 99 | 114.9 Ų | 114.9 | 67% | 0.669 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61 | -37.2 | 174.6 | -168.1 | 0 | 0 | 0 | 0 | 112.3 | N934 I938 W939 T940 | N934-C936 PolarHBondContact O-N 3.15Å; C936-I938 VanDerWaalsContact C-N 3.3Å; C936-I938 PolarHBondContact O-N 3.02Å; C936-W939 PolarHBondContact O-N 2.97Å; C936-T940 PolarHBondContact O-N 3.01Å; C936-T940 PolarHBondContact O-OG1 2.87Å; C936-T940 VanDerWaalsContact O-OG1 3.05Å |
| 937 | Q | 32.8 | Very low | 32.8 | Very low | 121 Ų | 121 | 117.8 Ų | 117.8 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.7 | -21.8 | 176.6 | -68 | -178.9 | -26.9 | 0 | 0 | 112.5 | N934 L935 A941 | N934-Q937 HydrophobicContact CB-CB 4.05Å; N934-Q937 HydrophobicContact CB-CG 3.99Å; N934-Q937 VanDerWaalsContact ND2-CD 3.3Å; N934-Q937 PolarHBondContact ND2-OE1 2.74Å; N934-Q937 PolarHBondContact O-N 3.05Å; L935-Q937 VanDerWaalsContact C-N 3.3Å; L935-Q937 PolarHBondContact O-N 2.6Å; Q937-A941 WeakPolarHBondContact O-CA 3.45Å; Q937-A941 WeakPolarHBondContact O-CB 3.31Å; Q937-A941 PolarHBondContact O-N 2.84Å |
| 938 | I | 33.5 | Very low | 33.1 | Very low | 111 Ų | 111 | 109.9 Ų | 109.9 | 57% | 0.569 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.6 | -38.9 | 174.2 | -61.8 | 175.9 | 0 | 0 | 0 | 110.5 | N934 L935 C936 Y942 | N934-I938 PolarHBondContact O-N 3.2Å; L935-I938 PolarHBondContact O-N 2.98Å; L935-I938 VanDerWaalsContact O-N 3.12Å; C936-I938 VanDerWaalsContact C-N 3.3Å; C936-I938 PolarHBondContact O-N 3.02Å; I938-Y942 VanDerWaalsContact O-CB 3.22Å; I938-Y942 WeakPolarHBondContact O-CB 3.44Å; I938-Y942 PolarHBondContact O-N 2.89Å |
| 939 | W | 34.9 | Very low | 33.2 | Very low | 139 Ų | 139 | 114 Ų | 114 | 53% | 0.527 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.4 | -46.5 | 171.2 | -84.9 | 69.6 | 0 | 0 | 0 | 111.6 | L935 C936 A941 Y942 F943 | L935-W939 PolarHBondContact O-N 3.49Å; C936-W939 PolarHBondContact O-N 2.97Å; W939-A941 PolarHBondContact O-N 2.82Å; W939-Y942 PolarHBondContact O-N 2.66Å; W939-F943 HydrophobicContact CE3-CD2 4.26Å; W939-F943 AromaticContact CE3-CE2 3.71Å; W939-F943 HydrophobicContact CE3-CE2 3.71Å; W939-F943 AromaticContact CZ3-CE2 3.94Å; W939-F943 HydrophobicContact CZ3-CE2 3.94Å; W939-F943 WeakPolarHBondContact O-CD2 3.28Å; W939-F943 PolarHBondContact O-N 3.39Å |
| 940 | T | 38.3 | Very low | 33.5 | Very low | 71 Ų | 71 | 117 Ų | 117 | 44% | 0.436 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.3 | -44.6 | 174.5 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | C936 F943 D944 | C936-T940 PolarHBondContact O-N 3.01Å; C936-T940 PolarHBondContact O-OG1 2.87Å; C936-T940 VanDerWaalsContact O-OG1 3.05Å; T940-F943 PolarHBondContact O-N 3.02Å; T940-D944 WeakPolarHBondContact CG2-OD2 3.4Å; T940-D944 WeakPolarHBondContact O-CA 3.39Å; T940-D944 WeakPolarHBondContact O-CB 3.48Å; T940-D944 PolarHBondContact O-N 3.28Å |
| 941 | A | 37 | Very low | 33 | Very low | 60 Ų | 60 | 118 Ų | 118 | 50% | 0.496 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.5 | -25.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q937 W939 F945 | Q937-A941 WeakPolarHBondContact O-CA 3.45Å; Q937-A941 WeakPolarHBondContact O-CB 3.31Å; Q937-A941 PolarHBondContact O-N 2.84Å; W939-A941 PolarHBondContact O-N 2.82Å; A941-F945 WeakPolarHBondContact O-CA 3.45Å; A941-F945 WeakPolarHBondContact O-CB 3.34Å; A941-F945 PolarHBondContact O-N 3.42Å |
| 942 | Y | 38 | Very low | 33 | Very low | 136 Ų | 136 | 116.1 Ų | 116.1 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.4 | -44.9 | 171.8 | 179.2 | -101.9 | 0 | 0 | 0 | 111.2 | I938 W939 F945 L946 | I938-Y942 VanDerWaalsContact O-CB 3.22Å; I938-Y942 WeakPolarHBondContact O-CB 3.44Å; I938-Y942 PolarHBondContact O-N 2.89Å; W939-Y942 PolarHBondContact O-N 2.66Å; Y942-F945 PolarHBondContact O-N 3.01Å; Y942-L946 HydrophobicContact CD1-CD1 4.08Å; Y942-L946 HydrophobicContact CE1-CD1 3.56Å; Y942-L946 HydrophobicContact CE1-CG 4.5Å; Y942-L946 WeakPolarHBondContact O-CG 3.33Å; Y942-L946 PolarHBondContact O-N 3.49Å |
| 943 | F | 41.3 | Very low | 32.5 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 50% | 0.5 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.7 | -37.7 | 173.3 | -85.4 | -75.2 | 0 | 0 | 0 | 112 | W939 T940 L946 R947 | W939-F943 HydrophobicContact CE3-CD2 4.26Å; W939-F943 AromaticContact CE3-CE2 3.71Å; W939-F943 HydrophobicContact CE3-CE2 3.71Å; W939-F943 AromaticContact CZ3-CE2 3.94Å; W939-F943 HydrophobicContact CZ3-CE2 3.94Å; W939-F943 WeakPolarHBondContact O-CD2 3.28Å; W939-F943 PolarHBondContact O-N 3.39Å; T940-F943 PolarHBondContact O-N 3.02Å; F943-L946 PolarHBondContact O-N 3.43Å; F943-R947 WeakPolarHBondContact O-CB 3.15Å; F943-R947 PolarHBondContact O-N 3.42Å |
| 944 | D | 40.7 | Very low | 32.6 | Very low | 62 Ų | 62 | 114.5 Ų | 114.5 | 33% | 0.332 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -75.3 | -23.7 | 174.3 | -72.3 | -26.8 | 0 | 0 | 0 | 112.6 | T940 R947 A948 | T940-D944 WeakPolarHBondContact CG2-OD2 3.4Å; T940-D944 WeakPolarHBondContact O-CA 3.39Å; T940-D944 WeakPolarHBondContact O-CB 3.48Å; T940-D944 PolarHBondContact O-N 3.28Å; D944-R947 WeakPolarHBondContact OD1-CD 3.22Å; D944-R947 IonicContact OD1-CZ 3.93Å; D944-R947 IonicContact OD1-NE 3.55Å; D944-R947 IonicContact OD1-NH1 2.72Å; D944-R947 PolarHBondContact OD1-NH1 2.95Å; D944-A948 WeakPolarHBondContact O-CB 3.35Å; D944-A948 PolarHBondContact O-N 3.24Å |
| 945 | F | 37.2 | Very low | 32.4 | Very low | 117 Ų | 117 | 112.8 Ų | 112.8 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 166.1 | 175.3 | -104.7 | 0 | 0 | 0 | 111.2 | A941 Y942 R949 | A941-F945 WeakPolarHBondContact O-CA 3.45Å; A941-F945 WeakPolarHBondContact O-CB 3.34Å; A941-F945 PolarHBondContact O-N 3.42Å; Y942-F945 PolarHBondContact O-N 3.01Å; F945-R949 WeakPolarHBondContact O-CB 3.13Å; F945-R949 PolarHBondContact O-N 3.08Å |
| 946 | L | 35.6 | Very low | 32.2 | Very low | 64 Ų | 64 | 108.8 Ų | 108.8 | 34% | 0.335 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 172.1 | -71.6 | 172.5 | 0 | 0 | 0 | 111.7 | Y942 F943 R949 F950 | Y942-L946 HydrophobicContact CD1-CD1 4.08Å; Y942-L946 HydrophobicContact CE1-CD1 3.56Å; Y942-L946 HydrophobicContact CE1-CG 4.5Å; Y942-L946 WeakPolarHBondContact O-CG 3.33Å; Y942-L946 PolarHBondContact O-N 3.49Å; F943-L946 PolarHBondContact O-N 3.43Å; L946-R949 PolarHBondContact O-N 3.1Å; L946-F950 WeakPolarHBondContact O-CD2 3.31Å; L946-F950 PolarHBondContact O-N 3.29Å; L946-F950 VanDerWaalsContact O-N 3.07Å |
| 947 | R | 36.9 | Very low | 32 | Very low | 158 Ų | 158 | 105.5 Ų | 105.5 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.5 | -49.4 | 175.8 | -161.1 | 179.1 | -140.9 | 158.3 | 3.2 | 110.6 | F943 D944 R949 F950 L951 | F943-R947 WeakPolarHBondContact O-CB 3.15Å; F943-R947 PolarHBondContact O-N 3.42Å; D944-R947 WeakPolarHBondContact OD1-CD 3.22Å; D944-R947 IonicContact OD1-CZ 3.93Å; D944-R947 IonicContact OD1-NE 3.55Å; D944-R947 IonicContact OD1-NH1 2.72Å; D944-R947 PolarHBondContact OD1-NH1 2.95Å; R947-R949 VanDerWaalsContact C-N 3.31Å; R947-R949 PolarHBondContact O-N 3.46Å; R947-F950 CarbonylContact O-C 3.44Å; R947-F950 PolarHBondContact O-N 2.91Å; R947-F950 VanDerWaalsContact O-N 3.11Å; R947-L951 HydrophobicContact CG-CD1 4.04Å; R947-L951 WeakPolarHBondContact O-CA 3.44Å; R947-L951 VanDerWaalsContact O-CB 3.26Å; R947-L951 WeakPolarHBondContact O-CB 3.32Å; R947-L951 PolarHBondContact O-N 3.08Å |
| 948 | A | 29.6 | Very low | 31.7 | Very low | 59 Ų | 59 | 104.3 Ų | 104.3 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -30.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D944 F950 D952 | D944-A948 WeakPolarHBondContact O-CB 3.35Å; D944-A948 PolarHBondContact O-N 3.24Å; A948-F950 VanDerWaalsContact C-N 3.27Å; A948-F950 PolarHBondContact O-N 2.73Å; A948-D952 PolarHBondContact O-N 2.88Å |
| 949 | R | 28.6 | Very low | 31.3 | Very low | 186 Ų | 186 | 104.4 Ų | 104.4 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -77.4 | -11.5 | 174.2 | -151.2 | 170.1 | -165.7 | 178.3 | 3.7 | 113.7 | F945 L946 R947 | F945-R949 WeakPolarHBondContact O-CB 3.13Å; F945-R949 PolarHBondContact O-N 3.08Å; L946-R949 PolarHBondContact O-N 3.1Å; R947-R949 VanDerWaalsContact C-N 3.31Å; R947-R949 PolarHBondContact O-N 3.46Å |
| 950 | F | 32 | Very low | 30.8 | Very low | 157 Ų | 157 | 102.3 Ų | 102.3 | 69% | 0.689 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -110.2 | -12.7 | 170.4 | -86.9 | -88 | 0 | 0 | 0 | 114.5 | L946 R947 A948 | L946-F950 WeakPolarHBondContact O-CD2 3.31Å; L946-F950 PolarHBondContact O-N 3.29Å; L946-F950 VanDerWaalsContact O-N 3.07Å; R947-F950 CarbonylContact O-C 3.44Å; R947-F950 PolarHBondContact O-N 2.91Å; R947-F950 VanDerWaalsContact O-N 3.11Å; A948-F950 VanDerWaalsContact C-N 3.27Å; A948-F950 PolarHBondContact O-N 2.73Å |
| 951 | L | 24 | Very low | 30.2 | Very low | 128 Ų | 128 | 104.7 Ų | 104.7 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -125 | 29.4 | 179 | -70.4 | 173.9 | 0 | 0 | 0 | 113.5 | R947 | R947-L951 HydrophobicContact CG-CD1 4.04Å; R947-L951 WeakPolarHBondContact O-CA 3.44Å; R947-L951 VanDerWaalsContact O-CB 3.26Å; R947-L951 WeakPolarHBondContact O-CB 3.32Å; R947-L951 PolarHBondContact O-N 3.08Å |
| 952 | D | 22.9 | Very low | 29.6 | Very low | 119 Ų | 119 | 110.9 Ų | 110.9 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | trans | -139.8 | 112.4 | 150.4 | -161.9 | -9.4 | 0 | 0 | 0 | 112.5 | A948 R954 | A948-D952 PolarHBondContact O-N 2.88Å; D952-R954 PolarHBondContact OD1-N 2.81Å; D952-R954 VanDerWaalsContact OD1-N 3.15Å | ||
| 953 | K | 25.8 | Very low | 28.9 | Very low | 142 Ų | 142 | 110.5 Ų | 110.5 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -150.7 | 51.5 | 162.8 | -150.3 | 173.8 | -174.2 | 176.5 | 0 | 111.4 | L794 | L794-K953 HydrophobicContact CD2-CB 3.63Å; L794-K953 HydrophobicContact CG-CB 4.2Å |
| 954 | R | 25.6 | Very low | 28 | Very low | 145 Ų | 145 | 111.5 Ų | 111.5 | 55% | 0.547 | 55% | 0.553 | S | S | . | * | trans | 101.3 | 137.7 | 177.8 | -66.4 | 162.9 | -175.5 | 159.1 | 5.2 | 113.4 | L794 T826 D952 | L794-R954 WeakPolarHBondContact CD1-O 3.26Å; T826-R954 HydrophobicContact CG2-CB 3.58Å; T826-R954 HydrophobicContact CG2-CG 4.01Å; D952-R954 PolarHBondContact OD1-N 2.81Å; D952-R954 VanDerWaalsContact OD1-N 3.15Å | ||
| 955 | E | 25.7 | Very low | 27.2 | Very low | 48 Ų | 48 | 114.5 Ų | 114.5 | 22% | 0.224 | 57% | 0.569 | C | S | . | * | 172 | 127.6 | 127 | -80.5 | -114.4 | 114.5 | 0 | 0 | 117 | F792 T793 T826 I827 | F792-E955 WeakPolarHBondContact CA-OE1 3.46Å; T793-E955 WeakPolarHBondContact CA-OE1 3.4Å; T793-E955 VanDerWaalsContact CB-CD 3.4Å; T793-E955 VanDerWaalsContact CB-OE2 3.26Å; T793-E955 WeakPolarHBondContact CB-OE2 3.29Å; T793-E955 HydrophobicContact CG2-CG 3.86Å; T793-E955 WeakPolarHBondContact CG2-OE2 3.5Å; T793-E955 PolarHBondContact N-OE1 3.27Å; T793-E955 PolarHBondContact OG1-OE1 2.97Å; T793-E955 VanDerWaalsContact OG1-OE1 3.14Å; T793-E955 PolarHBondContact OG1-OE2 3.15Å; T826-E955 WeakPolarHBondContact CA-OE1 3.5Å; T826-E955 VanDerWaalsContact CB-CA 3.42Å; T826-E955 PolarHBondContact N-OE1 2.82Å; T826-E955 VanDerWaalsContact N-OE1 3.14Å; T826-E955 VanDerWaalsContact O-OE1 3.05Å; I827-E955 HydrophobicContact CB-CB 3.26Å; I827-E955 HydrophobicContact CB-CG 4.42Å; I827-E955 WeakPolarHBondContact CB-O 3.06Å; I827-E955 HydrophobicContact CD1-CB 3.81Å; I827-E955 HydrophobicContact CG1-CB 3.48Å; I827-E955 VanDerWaalsContact CG1-CB 3.48Å; I827-E955 HydrophobicContact CG1-CG 4.45Å; I827-E955 VanDerWaalsContact CG2-C 3.49Å; I827-E955 HydrophobicContact CG2-CB 4.42Å; I827-E955 WeakPolarHBondContact CG2-O 3.35Å; I827-E955 VanDerWaalsContact N-CD 3.26Å; I827-E955 PolarHBondContact N-OE1 2.85Å | |||
| 956 | S | 24.8 | Very low | 26.5 | Very low | 49 Ų | 49 | 116.8 Ų | 116.8 | 34% | 0.343 | 58% | 0.579 | S | S | . | * | -133.4 | 149.5 | 126 | 61.7 | 0 | 0 | 0 | 0 | 119.2 | Q790 T826 I827 | Q790-S956 VanDerWaalsContact CB-O 3.29Å; Q790-S956 WeakPolarHBondContact CB-O 3.42Å; Q790-S956 VanDerWaalsContact CD-C 3.43Å; Q790-S956 VanDerWaalsContact CD-OG 3.28Å; Q790-S956 WeakPolarHBondContact CG-O 3.48Å; Q790-S956 PolarHBondContact NE2-OG 2.86Å; Q790-S956 PolarHBondContact OE1-O 2.79Å; T826-S956 VanDerWaalsContact C-CA 3.46Å; T826-S956 VanDerWaalsContact C-N 3.35Å; T826-S956 CarbonylContact C-O 2.85Å; T826-S956 WeakPolarHBondContact CA-O 3.25Å; T826-S956 WeakPolarHBondContact CB-O 3.36Å; T826-S956 CarbonylContact O-C 3.52Å; T826-S956 PolarHBondContact OG1-O 2.99Å; I827-S956 VanDerWaalsContact CA-CA 3.44Å; I827-S956 PolarHBondContact N-O 3.26Å; I827-S956 CarbonylContact O-C 3.56Å; I827-S956 WeakPolarHBondContact O-CA 3.26Å | |||
| 957 | N | 27.4 | Very low | 26 | Very low | 29 Ų | 29 | 119.7 Ų | 119.7 | 16% | 0.155 | 60% | 0.595 | C | S | . | * | trans | -95.2 | 157.8 | -148.5 | -96.5 | 4.1 | 0 | 0 | 0 | 126.8 | Q790 H791 T826 I827 T828 | Q790-N957 WeakPolarHBondContact CB-O 3.45Å; Q790-N957 PolarHBondContact OE1-O 2.92Å; H791-N957 VanDerWaalsContact CE1-CG 3.45Å; H791-N957 PolarHBondContact CE1-OD1 3.45Å; H791-N957 PolarHBondContact ND1-OD1 3.22Å; H791-N957 VanDerWaalsContact ND1-OD1 3.15Å; T826-N957 VanDerWaalsContact O-CA 3.24Å; T826-N957 WeakPolarHBondContact O-CA 3.38Å; T826-N957 PolarHBondContact O-N 3.2Å; T826-N957 PolarHBondContact O-OD1 3Å; I827-N957 WeakPolarHBondContact CA-OD1 3.47Å; I827-N957 WeakPolarHBondContact O-CA 3.46Å; I827-N957 WeakPolarHBondContact O-CB 3.45Å; I827-N957 PolarHBondContact O-N 2.95Å; I827-N957 PolarHBondContact O-OD1 2.92Å; I827-N957 VanDerWaalsContact O-OD1 3.14Å; T828-N957 VanDerWaalsContact N-CG 3.27Å; T828-N957 PolarHBondContact N-ND2 2.71Å; T828-N957 VanDerWaalsContact N-ND2 3.17Å; T828-N957 PolarHBondContact N-OD1 2.8Å | ||
| 958 | Q | 26.3 | Very low | 25.3 | Very low | 97 Ų | 97 | 117 Ų | 117 | 45% | 0.453 | 60% | 0.597 | S | S | . | * | trans | 71.2 | 141.7 | 145.4 | -70.7 | 156.9 | -7.8 | 0 | 0 | 121 | Q790 H791 | Q790-Q958 CarbonylContact O-C 3.4Å; Q790-Q958 VanDerWaalsContact O-CA 3.28Å; Q790-Q958 WeakPolarHBondContact O-CA 3.45Å; Q790-Q958 PolarHBondContact O-N 2.9Å; Q790-Q958 VanDerWaalsContact O-O 3.06Å; H791-Q958 WeakPolarHBondContact NE2-CG 3.22Å | ||
| 959 | T | 24.9 | Very low | 24.9 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 69% | 0.687 | 61% | 0.606 | S | S | * | * | cis | -157.1 | -165.1 | 29.6 | -16.5 | 0 | 0 | 0 | 0 | 111.3 | Q790 | Q790-T959 PolarHBondContact O-N 3.4Š| ||
| 960 | S | 24 | Very low | 24.6 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 66% | 0.664 | 60% | 0.604 | S | S | * | * | cis | -166.9 | 147.8 | -1.7 | 46.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 961 | V | 25.2 | Very low | 24.2 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 74% | 0.739 | 61% | 0.605 | S | S | * | * | 29.2 | 130.5 | 127.3 | -172.9 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 962 | K | 26.2 | Very low | 24.2 | Very low | 190 Ų | 190 | 116.9 Ų | 116.9 | 83% | 0.826 | 60% | 0.604 | S | S | * | * | -162.9 | 169.6 | 56.1 | -146.8 | 154.3 | -166 | 174.7 | 0 | 115.2 | |||||
| 963 | D | 22.7 | Very low | 24.3 | Very low | 128 Ų | 128 | 118 Ų | 118 | 68% | 0.684 | 61% | 0.61 | S | S | * | * | trans | -80.3 | 158.3 | -176.3 | -32.4 | -105.4 | 0 | 0 | 0 | 115.3 | ||||
| 964 | N | 22.6 | Very low | 24.1 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | 165.1 | 145.9 | 116.4 | -92.3 | -64.9 | 0 | 0 | 0 | 114.9 | |||||
| 965 | N | 23.4 | Very low | 23.8 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 67% | 0.668 | 62% | 0.623 | S | S | * | * | trans | 65.1 | 154.5 | 149 | -69.7 | -30.4 | 0 | 0 | 0 | 118.6 | ||||
| 966 | K | 22.2 | Very low | 23.7 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | cis | -169 | 174.2 | -16 | -119.6 | 175 | -174.8 | -174.4 | 0 | 110.6 | ||||
| 967 | N | 24.6 | Very low | 23.6 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 67% | 0.668 | 66% | 0.664 | S | S | * | * | trans | 73.3 | 119.7 | 149.7 | -77.8 | 32.9 | 0 | 0 | 0 | 117.9 | ||||
| 968 | T | 22.6 | Very low | 23.5 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | 75 | 141.4 | 67.2 | 66.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 969 | D | 21.8 | Very low | 23.3 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | cis | -169.5 | 168.2 | -1.5 | -106.9 | -6 | 0 | 0 | 0 | 111 | ||||
| 970 | N | 22.4 | Very low | 23.1 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 67% | 0.668 | 71% | 0.706 | S | S | * | * | trans | 49.2 | 146.7 | 141.8 | -65.4 | -32.6 | 0 | 0 | 0 | 125.9 | ||||
| 971 | H | 23.7 | Very low | 23 | Very low | 153 Ų | 153 | 137 Ų | 137 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | trans | 76.9 | 123.4 | 138.1 | -80.8 | -52 | 0 | 0 | 0 | 124.5 | ||||
| 972 | N | 22.8 | Very low | 22.8 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 71% | 0.705 | S | S | * | * | 78.2 | 143.1 | 129.4 | -61.2 | -5.5 | 0 | 0 | 0 | 123.1 | |||||
| 973 | N | 24.8 | Very low | 22.5 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | trans | 61.9 | 130.9 | 158.5 | -62.7 | -0 | 0 | 0 | 0 | 117.9 | ||||
| 974 | V | 21.8 | Very low | 22.5 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 68% | 0.679 | 70% | 0.7 | S | S | * | * | cis | 72.4 | 111 | 46.3 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 975 | N | 20.7 | Very low | 22.4 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | trans | 51.7 | 130.2 | 162.8 | -54.9 | -1.7 | 0 | 0 | 0 | 116.4 | ||||
| 976 | D | 22.7 | Very low | 22.5 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | cis | -148.3 | 151.8 | 41.5 | -95.3 | -45.6 | 0 | 0 | 0 | 111 | ||||
| 977 | V | 22.1 | Very low | 22.6 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 70% | 0.697 | 70% | 0.7 | S | S | * | * | 50.5 | 82.3 | 78.6 | -168.4 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 978 | H | 25.2 | Very low | 22.6 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | -161.7 | 126.9 | 127.7 | -113.4 | -127 | 0 | 0 | 0 | 106.1 | |||||
| 979 | R | 22.1 | Very low | 22.7 | Very low | 213 Ų | 213 | 134.6 Ų | 134.6 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | 53.7 | 141.8 | 81.7 | -73.3 | -170.7 | 178.2 | -166.9 | 4.3 | 113.5 | |||||
| 980 | S | 21.4 | Very low | 23 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | cis | -176.6 | -159 | -16.6 | -163.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 981 | I | 21.5 | Very low | 23.3 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | 49.3 | 84.9 | 146.1 | -63.6 | 156.5 | 0 | 0 | 0 | 113.7 | ||||
| 982 | A | 20.7 | Very low | 23.4 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | 93.2 | 175.3 | 93 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 983 | D | 20.6 | Very low | 23.5 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | 40.7 | 127 | 150 | -58.3 | -15.1 | 0 | 0 | 0 | 119.1 | ||||
| 984 | I | 22.9 | Very low | 23.5 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | cis | -155.7 | 130.3 | 35.3 | -124.8 | 149.3 | 0 | 0 | 0 | 108.3 | ||||
| 985 | Q | 20.2 | Very low | 23.6 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | 38.1 | 123.9 | 108.4 | -54.1 | -175.3 | 7.3 | 0 | 0 | 115.5 | |||||
| 986 | H | 26.3 | Very low | 23.7 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | -171.6 | 127 | 119.7 | -109.9 | -77.4 | 0 | 0 | 0 | 111.5 | |||||
| 987 | S | 22.9 | Very low | 23.8 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | trans | 29.7 | 143 | 140.4 | 58 | 0 | 0 | 0 | 0 | 121 | ||||
| 988 | S | 25.4 | Very low | 23.8 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | cis | -160.7 | 144.8 | 38.4 | -49.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 989 | F | 23.9 | Very low | 23.7 | Very low | 194 Ų | 194 | 141 Ų | 141 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | 32.2 | 114.1 | 138.7 | -69.3 | -106.8 | 0 | 0 | 0 | 120.4 | ||||
| 990 | S | 28.5 | Very low | 23.7 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | 166.8 | 137.1 | 92.9 | 52 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 991 | K | 29 | Very low | 23.7 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | 48.6 | 139 | 160.5 | -62.9 | -179.3 | -179.7 | 179.3 | 0 | 120.3 | ||||
| 992 | S | 26.3 | Very low | 23.8 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | cis | -173.2 | 131.6 | -17.8 | 44.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 993 | N | 24.9 | Very low | 23.9 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | 64 | 131.2 | 163.3 | -57.5 | -3.1 | 0 | 0 | 0 | 117.9 | ||||
| 994 | A | 24.8 | Very low | 24.1 | Very low | 86 Ų | 86 | 142.9 Ų | 142.9 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | cis | -151.7 | 127.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 995 | Y | 23.4 | Very low | 24 | Very low | 215 Ų | 215 | 142.6 Ų | 142.6 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 47 | 81.2 | 150.4 | -69.1 | -77.8 | 0 | 0 | 0 | 121.5 | ||||
| 996 | I | 22.5 | Very low | 24.1 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | -37.6 | 134.8 | 120.6 | -61.6 | 157.9 | 0 | 0 | 0 | 110.3 | |||||
| 997 | S | 25.5 | Very low | 24 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -97.1 | 114.7 | -176.9 | -169.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 998 | V | 22.5 | Very low | 24.7 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -137.9 | 148.3 | 158.7 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 999 | K | 23.1 | Very low | 24.7 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -58.1 | 143 | -165 | -55.8 | 169.7 | 178.8 | 177.5 | 0 | 117 | ||||
| 1000 | H | 21.6 | Very low | 24.8 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -179.8 | 152.2 | 140 | -104.6 | -147.8 | 0 | 0 | 0 | 110.2 | ||||
| 1001 | L | 22 | Very low | 24.6 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | cis | -157.9 | -57.2 | -21.5 | -175.5 | 61.9 | 0 | 0 | 0 | 114 | ||||
| 1002 | S | 22.3 | Very low | 24.4 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -162.6 | 166.4 | -160.6 | 50.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 1003 | A | 23.1 | Very low | 24.5 | Very low | 79 Ų | 79 | 146 Ų | 146 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | cis | -178.7 | 173 | -20.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1004 | Y | 24.8 | Very low | 24.5 | Very low | 218 Ų | 218 | 146.2 Ų | 146.2 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | 65.9 | 151.8 | -174.7 | -63.9 | -88.1 | 0 | 0 | 0 | 115.7 | ||||
| 1005 | D | 22.3 | Very low | 24.5 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 65% | 0.652 | 75% | 0.752 | S | S | * | * | cis | 170.7 | 155.4 | -38.2 | -97.8 | -38.5 | 0 | 0 | 0 | 105.6 | ||||
| 1006 | E | 22.3 | Very low | 24.6 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | cis | -153.1 | 133.4 | 9.3 | -122.4 | -176.9 | 150.6 | 0 | 0 | 110.5 | ||||
| 1007 | R | 23 | Very low | 24.8 | Very low | 211 Ų | 211 | 139.4 Ų | 139.4 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | 56.6 | 170.2 | 127.7 | -61.9 | -178.1 | -178.2 | -161.5 | -0.8 | 121.8 | |||||
| 1008 | P | 37.8 | Very low | 24.7 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 69% | 0.688 | 71% | 0.714 | S | S | * | * | -124.5 | 168.4 | -86.9 | 30.2 | -7.5 | 0 | 0 | 0 | 114.8 | |||||
| 1009 | T | 25.5 | Very low | 24.7 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | 171 | 151.6 | 87.7 | 35.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1010 | E | 24.9 | Very low | 25.2 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | trans | 53.9 | 128.2 | 154.7 | -68.1 | -148.7 | 154.3 | 0 | 0 | 127.1 | ||||
| 1011 | K | 25.1 | Very low | 25.3 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | trans | 92.1 | 135.2 | 138.5 | -77.7 | -172.4 | -179.5 | 94.3 | 0 | 125.6 | ||||
| 1012 | D | 25 | Very low | 25.4 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 68% | 0.684 | 69% | 0.69 | S | S | * | * | trans | 73.4 | 112.2 | 147.7 | -57.7 | -8 | 0 | 0 | 0 | 126.7 | ||||
| 1013 | N | 28.2 | Very low | 25.5 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | trans | 52.3 | 122.5 | 136.7 | -61.7 | -46 | 0 | 0 | 0 | 125.2 | ||||
| 1014 | L | 24.2 | Very low | 25.7 | Very low | 166 Ų | 166 | 138 Ų | 138 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | 169.3 | 133 | 114.3 | -95.8 | 152.3 | 0 | 0 | 0 | 117.7 | |||||
| 1015 | S | 25.3 | Very low | 25.6 | Very low | 88 Ų | 88 | 132.7 Ų | 132.7 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | trans | 36.7 | 123.9 | 149.6 | 61.1 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1016 | N | 26.2 | Very low | 25.6 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | 72.1 | 166.5 | 143.6 | -70.2 | 52.4 | 0 | 0 | 0 | 118.9 | ||||
| 1017 | D | 26.5 | Very low | 25.6 | Very low | 87 Ų | 87 | 132.4 Ų | 132.4 | 47% | 0.465 | 70% | 0.703 | S | S | . | * | cis | -161.7 | 168.3 | -3.8 | -124 | -44 | 0 | 0 | 0 | 109.4 | ||||
| 1018 | R | 23.4 | Very low | 25.7 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 46% | 0.464 | 70% | 0.7 | S | S | . | * | cis | -152.3 | -106.1 | 0.8 | -166.5 | 162.6 | -70.7 | 173.9 | 1.4 | 112.8 | E735 I736 | E735-R1018 WeakPolarHBondContact OE1-CD 3.36Å; E735-R1018 IonicContact OE1-CZ 3.8Å; E735-R1018 IonicContact OE1-NE 2.76Å; E735-R1018 IonicContact OE1-NH1 3.59Å; E735-R1018 PolarHBondContact OE1-NH1 2.95Å; E735-R1018 WeakPolarHBondContact OE2-CD 3.41Å; E735-R1018 IonicContact OE2-NH1 2.78Å; I736-R1018 VanDerWaalsContact CD1-NH1 3.28Å | ||
| 1019 | L | 23 | Very low | 25 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | trans | -152.7 | 172.6 | -166.4 | -76.2 | 179.4 | 0 | 0 | 0 | 112.6 | ||||
| 1020 | P | 32.1 | Very low | 25 | Very low | 84 Ų | 84 | 128 Ų | 128 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | cis | -130.2 | 157.4 | -15 | 22.5 | -0.5 | 0 | 0 | 0 | 115.9 | ||||
| 1021 | M | 24.3 | Very low | 25.1 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 81% | 0.808 | 69% | 0.688 | S | S | * | * | trans | 57.3 | 143.2 | 146.3 | -66.9 | -146.3 | 156.8 | 0 | 0 | 120.7 | ||||
| 1022 | T | 24.4 | Very low | 25.2 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | cis | -165.6 | 168.5 | -4.7 | 18.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1023 | F | 24 | Very low | 25.2 | Very low | 185 Ų | 185 | 127 Ų | 127 | 81% | 0.811 | 69% | 0.69 | S | S | * | * | cis | -149.1 | -177.6 | 2.1 | -112.9 | -29.7 | 0 | 0 | 0 | 107.6 | ||||
| 1024 | P | 28.3 | Very low | 25.1 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | trans | -119.3 | 172.1 | -150.1 | 42.8 | -31.1 | 0 | 0 | 0 | 116.5 | ||||
| 1025 | S | 21.5 | Very low | 24.9 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | -144.2 | 134.7 | 166.9 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1026 | I | 23.7 | Very low | 24.9 | Very low | 171 Ų | 171 | 129 Ų | 129 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | trans | 71.1 | 155.1 | 164.9 | -58.3 | 171.7 | 0 | 0 | 0 | 114.7 | ||||
| 1027 | S | 22 | Very low | 24.7 | Very low | 89 Ų | 89 | 129.9 Ų | 129.9 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | trans | -147.6 | 178.8 | -161.5 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1028 | I | 23.8 | Very low | 24.6 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | 76.4 | 125.4 | 162.2 | -68.9 | 165.6 | 0 | 0 | 0 | 113.7 | ||||
| 1029 | N | 24.5 | Very low | 24.5 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | cis | -165.4 | 151.9 | -1.7 | -126.1 | 6.7 | 0 | 0 | 0 | 115.4 | ||||
| 1030 | S | 25.2 | Very low | 24.5 | Very low | 82 Ų | 82 | 138.5 Ų | 138.5 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | trans | 64.1 | 152.9 | 135.1 | 78.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1031 | N | 26.4 | Very low | 24.1 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | cis | -161.8 | 179.3 | 45.1 | -118.5 | -36 | 0 | 0 | 0 | 114.1 | ||||
| 1032 | H | 27.1 | Very low | 24.1 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 73% | 0.731 | 73% | 0.726 | S | S | * | * | trans | 77.5 | 107.2 | 179.6 | -65.4 | -89.3 | 0 | 0 | 0 | 116 | ||||
| 1033 | I | 25.1 | Very low | 24 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | 94.4 | 131.5 | 50.2 | -74.1 | 163.8 | 0 | 0 | 0 | 110.3 | |||||
| 1034 | P | 25.5 | Very low | 24 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | cis | -116.9 | 150.4 | 19.6 | 39.1 | -28.9 | 0 | 0 | 0 | 116.6 | ||||
| 1035 | Q | 21.2 | Very low | 23.9 | Very low | 157 Ų | 157 | 134 Ų | 134 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | -146.3 | 89.7 | 127.3 | -120 | -179.1 | -3.5 | 0 | 0 | 110.9 | Q1037 | Q1035-Q1037 WeakPolarHBondContact CG-O 3.42Š| |||
| 1036 | L | 24.4 | Very low | 24 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 70% | 0.699 | S | S | * | * | trans | -81.4 | 150.7 | 137.3 | -89.9 | 165.4 | 0 | 0 | 0 | 107.1 | ||||
| 1037 | Q | 22.7 | Very low | 24.1 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 70.6 | 141.3 | -166.8 | -52.8 | -174.1 | -8.4 | 0 | 0 | 114.2 | Q1035 | Q1035-Q1037 WeakPolarHBondContact CG-O 3.42Š|
| 1038 | F | 24.3 | Very low | 24.2 | Very low | 181 Ų | 181 | 127 Ų | 127 | 79% | 0.794 | 67% | 0.673 | S | S | * | * | trans | 66 | 99 | -166.6 | -61 | -80.2 | 0 | 0 | 0 | 115.7 | ||||
| 1039 | Q | 20.8 | Very low | 24.2 | Very low | 201 Ų | 201 | 126.1 Ų | 126.1 | 94% | 0.939 | 67% | 0.666 | S | S | * | * | trans | -133.3 | 105.4 | 162.8 | -93.9 | -173 | -24.3 | 0 | 0 | 109.9 | ||||
| 1040 | D | 23.9 | Very low | 24.1 | Very low | 140 Ų | 140 | 124 Ų | 124 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | trans | -165.4 | 118.1 | 173.3 | -150.3 | 29.8 | 0 | 0 | 0 | 103.1 | ||||
| 1041 | K | 23.7 | Very low | 23.9 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 37% | 0.365 | 67% | 0.666 | S | S | . | * | cis | -143.8 | 161.9 | 7.4 | -69.4 | 164.6 | -166.6 | 169.3 | 0 | 110.2 | Q63 | Q63-K1041 HydrophobicContact CB-CD 3.79Å; Q63-K1041 HydrophobicContact CG-CB 4.38Å; Q63-K1041 HydrophobicContact CG-CD 3.65Å; Q63-K1041 PolarHBondContact O-NZ 3.45Å | ||
| 1042 | T | 22.7 | Very low | 23.9 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 80% | 0.798 | 67% | 0.668 | S | S | * | * | trans | -130.1 | 163.2 | 171.1 | 45.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1043 | T | 23.7 | Very low | 23.6 | Very low | 126 Ų | 126 | 124 Ų | 124 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | -38.8 | 133.4 | 177.1 | 48.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1044 | S | 23.8 | Very low | 23.6 | Very low | 94 Ų | 94 | 123.4 Ų | 123.4 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | trans | -44.7 | 150.3 | 138.9 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1045 | N | 25.5 | Very low | 23.4 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 65% | 0.647 | 68% | 0.68 | S | S | * | * | cis | -139.9 | 147.1 | 31.1 | -100.9 | -31.4 | 0 | 0 | 0 | 111.3 | L1717 | N1045-L1717 HydrophobicContact CB-CD1 4.35Š| ||
| 1046 | S | 25 | Very low | 23.3 | Very low | 37 Ų | 37 | 123.3 Ų | 123.3 | 26% | 0.259 | 68% | 0.682 | S | S | . | * | cis | 80.8 | 134.4 | 14.6 | 118.3 | 0 | 0 | 0 | 0 | 119.1 | L1717 | S1046-L1717 VanDerWaalsContact C-CB 3.47Å; S1046-L1717 VanDerWaalsContact O-CD1 3.3Å; S1046-L1717 WeakPolarHBondContact O-CD1 3.1Å; S1046-L1717 VanDerWaalsContact O-CG 3.28Å; S1046-L1717 WeakPolarHBondContact O-CG 3.33Å | ||
| 1047 | N | 24.4 | Very low | 23.3 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 52% | 0.519 | 68% | 0.681 | S | S | . | * | trans | 101.3 | 74.2 | -169.2 | -62.3 | -1.9 | 0 | 0 | 0 | 118.3 | L1717 | N1047-L1717 VanDerWaalsContact C-N 3.32Å; N1047-L1717 HydrophobicContact CB-CG 4.13Å; N1047-L1717 WeakPolarHBondContact O-CA 3.03Å; N1047-L1717 WeakPolarHBondContact O-CD2 3.5Å; N1047-L1717 WeakPolarHBondContact O-CG 3.41Å | ||
| 1048 | N | 24.9 | Very low | 23.3 | Very low | 82 Ų | 82 | 123.8 Ų | 123.8 | 44% | 0.439 | 69% | 0.686 | S | S | . | * | 168.9 | 157.2 | 58.6 | -85.5 | -17.9 | 0 | 0 | 0 | 108.5 | P1716 L1717 | N1048-P1716 CarbonylContact C-O 3.59Å; N1048-P1716 VanDerWaalsContact CA-C 3.48Å; N1048-P1716 VanDerWaalsContact CA-O 3.27Å; N1048-P1716 WeakPolarHBondContact CA-O 3.32Å; N1048-P1716 PolarHBondContact N-O 3.21Å; N1048-L1717 VanDerWaalsContact N-CA 3.27Å; N1048-L1717 VanDerWaalsContact N-N 3.15Å | |||
| 1049 | H | 23.6 | Very low | 23.1 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 58% | 0.583 | 69% | 0.687 | S | S | * | * | cis | -157.4 | 157.1 | 2.3 | -91.4 | -46.3 | 0 | 0 | 0 | 110.1 | N1714 S1715 | H1049-N1714 PolarHBondContact CE1-O 2.74Å; H1049-N1714 PolarHBondContact ND1-O 2.85Å; H1049-S1715 CarbonylContact C-O 3.6Å; H1049-S1715 VanDerWaalsContact CA-O 3.31Å; H1049-S1715 WeakPolarHBondContact CA-O 3.36Å | ||
| 1050 | S | 22.4 | Very low | 23.1 | Very low | 86 Ų | 86 | 121.8 Ų | 121.8 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | -155.5 | 155.6 | 129.2 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | N1714 S1715 | S1050-N1714 WeakPolarHBondContact O-CB 3.3Å; S1050-N1714 PolarHBondContact O-ND2 3.32Å; S1050-S1715 PolarHBondContact N-O 2.98Å; S1050-S1715 VanDerWaalsContact N-O 3.11Å | |||
| 1051 | S | 21.8 | Very low | 23.1 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | trans | -92.3 | 151.2 | -176 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1052 | T | 25.1 | Very low | 23 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | 178.5 | 137.9 | 122.2 | 24.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1053 | L | 22.2 | Very low | 23 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | trans | -134 | 144.8 | 133.9 | -78.8 | 176.7 | 0 | 0 | 0 | 105.3 | ||||
| 1054 | P | 24.3 | Very low | 23.1 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | -143.4 | -176.2 | 93.4 | 38.3 | -22.2 | 0 | 0 | 0 | 114.5 | |||||
| 1055 | I | 21.2 | Very low | 23 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 82% | 0.815 | 70% | 0.695 | S | S | * | * | trans | -86.8 | 143.8 | -174.1 | -53.6 | 158.3 | 0 | 0 | 0 | 110.5 | ||||
| 1056 | S | 19.1 | Very low | 22.9 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 70% | 0.699 | S | S | * | * | trans | 141.2 | 95.1 | 137 | -63 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1057 | V | 24.6 | Very low | 22.8 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | -141.3 | 108.9 | 146.1 | -172.7 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 1058 | K | 22.4 | Very low | 22.6 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | 70.8 | 132.5 | 70.8 | -150 | -177.2 | -174.8 | -167.5 | 0 | 112.3 | |||||
| 1059 | L | 20.5 | Very low | 22.5 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -85.6 | 153.1 | -173.6 | -57.6 | 85.7 | 0 | 0 | 0 | 112.2 | ||||
| 1060 | E | 21 | Very low | 22.7 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | trans | -150.7 | 115.3 | 130.8 | -104.9 | 157 | -155.7 | 0 | 0 | 105.7 | ||||
| 1061 | T | 22.4 | Very low | 22.7 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | 58.9 | 130.3 | 104.6 | 58.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1062 | E | 22.3 | Very low | 22.9 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | cis | -140.4 | 177.1 | 28.9 | -59.8 | 175.6 | 169.6 | 0 | 0 | 111.1 | ||||
| 1063 | H | 23.7 | Very low | 23 | Very low | 160 Ų | 160 | 145 Ų | 145 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | cis | -153.7 | 142.5 | -5.7 | -135.1 | -61.8 | 0 | 0 | 0 | 108.3 | ||||
| 1064 | P | 25.2 | Very low | 23.1 | Very low | 96 Ų | 96 | 143 Ų | 143 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | trans | -110.8 | 169.2 | 176.4 | 39.1 | -33.3 | 0 | 0 | 0 | 114.6 | ||||
| 1065 | N | 22 | Very low | 23.1 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 73.5 | 146.5 | 167.2 | -54 | -28.7 | 0 | 0 | 0 | 116.3 | ||||
| 1066 | H | 22.6 | Very low | 23.2 | Very low | 156 Ų | 156 | 143 Ų | 143 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | cis | -160.6 | 176.1 | -13.1 | -123.8 | -39 | 0 | 0 | 0 | 110.5 | ||||
| 1067 | H | 23.4 | Very low | 23.4 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | trans | 70.6 | 112.6 | 157.7 | -81.1 | -44.2 | 0 | 0 | 0 | 122 | ||||
| 1068 | R | 20.2 | Very low | 23.3 | Very low | 208 Ų | 208 | 144.2 Ų | 144.2 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | 82 | 137.8 | 121.6 | -87.8 | -178.7 | 171.3 | 161.6 | -2.8 | 121.5 | |||||
| 1069 | N | 23.5 | Very low | 23.3 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | trans | 83.9 | 112.8 | 144 | -66.7 | 14.2 | 0 | 0 | 0 | 120.2 | ||||
| 1070 | N | 26 | Very low | 23.5 | Very low | 121 Ų | 121 | 137 Ų | 137 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | 76.7 | 90.7 | 126.8 | -60.3 | 31.2 | 0 | 0 | 0 | 120 | |||||
| 1071 | D | 23.2 | Very low | 23.7 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | 61.4 | 154.2 | 106.6 | -50.1 | -24.7 | 0 | 0 | 0 | 122.3 | |||||
| 1072 | N | 25.9 | Very low | 23.8 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 82.1 | 131.6 | 167 | -47.8 | -73.7 | 0 | 0 | 0 | 115.2 | ||||
| 1073 | N | 26.7 | Very low | 24.1 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | cis | -149 | 142.3 | -4.8 | -106 | -36.9 | 0 | 0 | 0 | 108.9 | ||||
| 1074 | S | 25.8 | Very low | 24.4 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | -150.7 | 121.4 | 100 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1075 | L | 23.9 | Very low | 24.4 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | trans | 21.6 | 117.3 | 154.2 | -83.3 | 57.1 | 0 | 0 | 0 | 118.8 | ||||
| 1076 | L | 23.1 | Very low | 24.8 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | 59.8 | 122.2 | 87.2 | -81.7 | 75.9 | 0 | 0 | 0 | 113.2 | |||||
| 1077 | Q | 22.7 | Very low | 25.2 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | cis | -147.5 | -143.5 | -2.1 | -141 | -167.4 | 97.5 | 0 | 0 | 109.9 | ||||
| 1078 | T | 23.4 | Very low | 25.5 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | cis | -153.2 | 167.5 | 16.3 | -39.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1079 | S | 21.7 | Very low | 25.9 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | trans | -66.4 | 143.1 | -177.4 | 58.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1080 | A | 25.8 | Very low | 26.3 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | trans | -151.7 | 137 | 143.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1081 | N | 24 | Very low | 26.6 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 86% | 0.856 | 69% | 0.688 | S | S | * | * | trans | -84.4 | 179.3 | 177.7 | -79.7 | -49.3 | 0 | 0 | 0 | 112.3 | ||||
| 1082 | S | 24.5 | Very low | 26.8 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | trans | 74.3 | 64.6 | 165.7 | 72.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1083 | K | 29.6 | Very low | 27.2 | Very low | 185 Ų | 185 | 120.8 Ų | 120.8 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -123.2 | 4.5 | 150.8 | -142.8 | 175.3 | -178 | -179.8 | 0 | 115.9 | ||
| 1084 | K | 28.7 | Very low | 27.3 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -108.3 | 14.6 | 171 | -139.5 | 171.6 | -173 | 176.5 | 0 | 113.6 | ||
| 1085 | A | 26.1 | Very low | 27.3 | Very low | 63 Ų | 63 | 124.2 Ų | 124.2 | 52% | 0.521 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -125.8 | 5.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1086 | L | 29.5 | Very low | 27.4 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 50% | 0.497 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -105.2 | -36.9 | -179.1 | -168.5 | 63.1 | 0 | 0 | 0 | 112.1 | N1088 L1089 L1090 | L1086-N1088 VanDerWaalsContact C-N 3.33Å; L1086-L1089 PolarHBondContact O-N 2.77Å; L1086-L1089 VanDerWaalsContact O-N 3.09Å; L1086-L1090 HydrophobicContact CD1-CD1 3.9Å; L1086-L1090 HydrophobicContact CG-CD1 3.88Å; L1086-L1090 WeakPolarHBondContact O-CD1 3.1Å; L1086-L1090 PolarHBondContact O-N 2.67Å |
| 1087 | E | 32 | Very low | 27.5 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65 | -39.1 | 171.2 | -65 | 177.1 | 149.2 | 0 | 0 | 110.9 | L1089 | E1087-L1089 PolarHBondContact O-N 2.8Å |
| 1088 | N | 29.1 | Very low | 27.6 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72 | -1.1 | 171.7 | -70.7 | -9.8 | 0 | 0 | 0 | 114.5 | L1086 | L1086-N1088 VanDerWaalsContact C-N 3.33Å |
| 1089 | L | 29.3 | Very low | 27.6 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 50% | 0.503 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -110.9 | -37.2 | 177.7 | -159 | 81.7 | 0 | 0 | 0 | 112.5 | L1086 E1087 A1092 I1093 | L1086-L1089 PolarHBondContact O-N 2.77Å; L1086-L1089 VanDerWaalsContact O-N 3.09Å; E1087-L1089 PolarHBondContact O-N 2.8Å; L1089-A1092 PolarHBondContact O-N 2.8Å; L1089-I1093 WeakPolarHBondContact O-CG1 3.11Å; L1089-I1093 PolarHBondContact O-N 3.19Å |
| 1090 | L | 31.5 | Very low | 27.7 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.2 | -32.9 | 176.3 | -91.2 | 101.1 | 0 | 0 | 0 | 113 | L1086 I1093 R1094 | L1086-L1090 HydrophobicContact CD1-CD1 3.9Å; L1086-L1090 HydrophobicContact CG-CD1 3.88Å; L1086-L1090 WeakPolarHBondContact O-CD1 3.1Å; L1086-L1090 PolarHBondContact O-N 2.67Å; L1090-I1093 PolarHBondContact O-N 3.29Å; L1090-R1094 PolarHBondContact O-N 3.01Å |
| 1091 | E | 32.3 | Very low | 27.6 | Very low | 95 Ų | 95 | 124 Ų | 124 | 44% | 0.444 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.9 | -30.2 | 175.5 | -141 | 63.5 | -179.7 | 0 | 0 | 112 | I1093 R1094 H1095 | E1091-I1093 VanDerWaalsContact C-N 3.26Å; E1091-I1093 PolarHBondContact O-N 2.86Å; E1091-R1094 PolarHBondContact O-N 2.62Å; E1091-R1094 IonicContact OE1-NH1 3.16Å; E1091-R1094 IonicContact OE2-CZ 2.71Å; E1091-R1094 IonicContact OE2-NH1 2.69Å; E1091-R1094 PolarHBondContact OE2-NH1 3.31Å; E1091-H1095 PolarHBondContact O-N 2.88Å |
| 1092 | A | 27.9 | Very low | 27.5 | Very low | 55 Ų | 55 | 118.8 Ų | 118.8 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.1 | -25.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1089 T1096 | L1089-A1092 PolarHBondContact O-N 2.8Å; A1092-T1096 WeakPolarHBondContact O-CG2 3.28Å; A1092-T1096 PolarHBondContact O-OG1 3.38Å |
| 1093 | I | 32.8 | Very low | 27.3 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 61% | 0.605 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -88.7 | -21.6 | 178.9 | -68.8 | 170.1 | 0 | 0 | 0 | 112.3 | L1089 L1090 E1091 T1096 | L1089-I1093 WeakPolarHBondContact O-CG1 3.11Å; L1089-I1093 PolarHBondContact O-N 3.19Å; L1090-I1093 PolarHBondContact O-N 3.29Å; E1091-I1093 VanDerWaalsContact C-N 3.26Å; E1091-I1093 PolarHBondContact O-N 2.86Å; I1093-T1096 PolarHBondContact O-OG1 2.98Å |
| 1094 | R | 30.1 | Very low | 26.9 | Very low | 172 Ų | 172 | 114.8 Ų | 114.8 | 65% | 0.649 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.9 | -36.8 | 171.1 | -76.9 | -177.2 | 173.9 | 136.6 | -6.2 | 113 | L1090 E1091 T1096 | L1090-R1094 PolarHBondContact O-N 3.01Å; E1091-R1094 PolarHBondContact O-N 2.62Å; E1091-R1094 IonicContact OE1-NH1 3.16Å; E1091-R1094 IonicContact OE2-CZ 2.71Å; E1091-R1094 IonicContact OE2-NH1 2.69Å; E1091-R1094 PolarHBondContact OE2-NH1 3.31Å; R1094-T1096 PolarHBondContact O-N 2.96Å |
| 1095 | H | 25.3 | Very low | 26.5 | Very low | 141 Ų | 141 | 109.6 Ų | 109.6 | 65% | 0.653 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 1.1 | -172.5 | -80.5 | -81 | 0 | 0 | 0 | 115.4 | E1091 | E1091-H1095 PolarHBondContact O-N 2.88Š|
| 1096 | T | 25.8 | Very low | 26.3 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 69% | 0.687 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 23.2 | -179.3 | 47.4 | 0 | 0 | 0 | 0 | 115 | A1092 I1093 R1094 | A1092-T1096 WeakPolarHBondContact O-CG2 3.28Å; A1092-T1096 PolarHBondContact O-OG1 3.38Å; I1093-T1096 PolarHBondContact O-OG1 2.98Å; R1094-T1096 PolarHBondContact O-N 2.96Å |
| 1097 | M | 26.3 | Very low | 25.9 | Very low | 165 Ų | 165 | 112.8 Ų | 112.8 | 81% | 0.813 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -137.8 | 2.9 | 173.4 | -158.1 | 171.9 | -78.2 | 0 | 0 | 115.7 | ||
| 1098 | F | 24.5 | Very low | 25.3 | Very low | 193 Ų | 193 | 109.6 Ų | 109.6 | 85% | 0.846 | 59% | 0.593 | S | S | * | * | trans | -137.2 | 88.1 | 178.1 | -94.6 | -78.7 | 0 | 0 | 0 | 114.4 | ||||
| 1099 | S | 22.3 | Very low | 25 | Very low | 90 Ų | 90 | 109 Ų | 109 | 63% | 0.629 | 60% | 0.595 | S | S | * | * | trans | -171.4 | 132.6 | 167.8 | 51.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1100 | Y | 23.9 | Very low | 24.7 | Very low | 100 Ų | 100 | 106.7 Ų | 106.7 | 39% | 0.392 | 59% | 0.585 | S | S | . | * | cis | -136.8 | 161.1 | 2.6 | -109.6 | -100.6 | 0 | 0 | 0 | 107.3 | N1279 P1280 N1282 N1492 | Y1100-N1279 WeakPolarHBondContact CD1-OD1 3.23Å; Y1100-P1280 HydrophobicContact CD1-CB 4.22Å; Y1100-P1280 HydrophobicContact CD1-CG 4.03Å; Y1100-P1280 HydrophobicContact CD2-CB 4.21Å; Y1100-P1280 HydrophobicContact CD2-CG 4.21Å; Y1100-P1280 HydrophobicContact CE1-CB 4.02Å; Y1100-P1280 HydrophobicContact CE1-CG 4.34Å; Y1100-P1280 WeakPolarHBondContact CE1-O 3.28Å; Y1100-P1280 HydrophobicContact CE2-CB 4Å; Y1100-P1280 HydrophobicContact CE2-CG 4.5Å; Y1100-P1280 HydrophobicContact CG-CB 4.31Å; Y1100-P1280 HydrophobicContact CG-CG 3.96Å; Y1100-P1280 PolarHBondContact OH-O 3Å; Y1100-N1282 HydrophobicContact CE2-CB 4.14Å; Y1100-N1282 PolarHBondContact OH-N 2.88Å; Y1100-N1492 WeakPolarHBondContact CE1-ND2 3.43Å; Y1100-N1492 VanDerWaalsContact OH-CB 3.25Å; Y1100-N1492 WeakPolarHBondContact OH-CB 3.49Å; Y1100-N1492 PolarHBondContact OH-ND2 3.21Å | ||
| 1101 | S | 25.1 | Very low | 24.3 | Very low | 92 Ų | 92 | 108.6 Ų | 108.6 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | 178.7 | 158.2 | 62.9 | 35.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 1102 | I | 21.2 | Very low | 23.8 | Very low | 51 Ų | 51 | 110 Ų | 110 | 26% | 0.262 | 60% | 0.596 | S | S | . | * | trans | -86 | 149.3 | 161.1 | -145.4 | -177.7 | 0 | 0 | 0 | 110.3 | V1277 N1279 | I1102-V1277 HydrophobicContact CB-CG1 4.42Å; I1102-V1277 HydrophobicContact CD1-CB 4.13Å; I1102-V1277 WeakPolarHBondContact CD1-O 3.44Å; I1102-V1277 HydrophobicContact CG1-CB 3.57Å; I1102-V1277 HydrophobicContact CG1-CG1 3.56Å; I1102-V1277 WeakPolarHBondContact CG1-O 3.07Å; I1102-N1279 HydrophobicContact CB-CB 3.52Å; I1102-N1279 WeakPolarHBondContact CB-OD1 3.18Å; I1102-N1279 HydrophobicContact CD1-CB 4.2Å; I1102-N1279 HydrophobicContact CG1-CB 4.32Å; I1102-N1279 HydrophobicContact CG2-CB 3.57Å; I1102-N1279 VanDerWaalsContact CG2-ND2 3.33Å; I1102-N1279 WeakPolarHBondContact CG2-ND2 3.18Å; I1102-N1279 WeakPolarHBondContact CG2-OD1 3.34Å; I1102-N1279 PolarHBondContact N-OD1 3.32Å | ||
| 1103 | Q | 21.1 | Very low | 23.6 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 55% | 0.547 | 60% | 0.598 | S | S | . | * | -162.2 | 144.5 | 116.4 | -111.1 | 172.1 | 9.9 | 0 | 0 | 112.3 | M1490 | Q1103-M1490 PolarHBondContact NE2-SD 2.83Š| |||
| 1104 | S | 20.3 | Very low | 23.2 | Very low | 81 Ų | 81 | 110.5 Ų | 110.5 | 57% | 0.566 | 61% | 0.607 | S | S | * | * | trans | -100 | 164.9 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1105 | S | 21 | Very low | 22.9 | Very low | 79 Ų | 79 | 106.3 Ų | 106.3 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | trans | 55.6 | 102.4 | 155.8 | 59.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1106 | S | 21.5 | Very low | 23 | Very low | 111 Ų | 111 | 105.2 Ų | 105.2 | 78% | 0.776 | 60% | 0.601 | S | S | * | * | trans | -158.3 | 126.4 | 130.9 | 64 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1107 | L | 20.4 | Very low | 22.9 | Very low | 114 Ų | 114 | 104.2 Ų | 104.2 | 60% | 0.597 | 60% | 0.598 | S | S | * | * | trans | -99.9 | 111.4 | 167.6 | -123 | 89.6 | 0 | 0 | 0 | 110.6 | R1209 | L1107-R1209 VanDerWaalsContact CD2-NH2 3.3Š| ||
| 1108 | S | 20.2 | Very low | 22.8 | Very low | 85 Ų | 85 | 104.2 Ų | 104.2 | 59% | 0.594 | 60% | 0.601 | S | S | * | * | trans | 179.2 | 156.5 | 147.2 | 31.4 | 0 | 0 | 0 | 0 | 112.2 | Y606 | Y606-S1108 WeakPolarHBondContact OH-CB 3.28Š| ||
| 1109 | T | 22.4 | Very low | 22.7 | Very low | 122 Ų | 122 | 99.3 Ų | 99.3 | 75% | 0.748 | 59% | 0.591 | S | S | * | * | trans | -93.1 | 149 | -179.5 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | Y606 | Y606-T1109 PolarHBondContact OH-O 3.04Š| ||
| 1110 | P | 22.6 | Very low | 22.8 | Very low | 46 Ų | 46 | 100.1 Ų | 100.1 | 30% | 0.299 | 60% | 0.596 | S | S | . | * | -158.8 | 173.2 | 96.8 | 46.1 | -28.4 | 0 | 0 | 0 | 116.3 | Y606 | Y606-P1110 HydrophobicContact CD1-CG 3.31Å; Y606-P1110 HydrophobicContact CE1-CB 4.45Å; Y606-P1110 VanDerWaalsContact CE1-CD 3.48Å; Y606-P1110 HydrophobicContact CE1-CG 3.5Å; Y606-P1110 VanDerWaalsContact CE1-CG 3.5Å; Y606-P1110 HydrophobicContact CG-CG 3.91Å | |||
| 1111 | Y | 23.6 | Very low | 22.8 | Very low | 142 Ų | 142 | 99.5 Ų | 99.5 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | trans | 23.3 | 111.7 | 137.4 | -74.2 | -98 | 0 | 0 | 0 | 121.2 | I647 | I647-Y1111 HydrophobicContact CD1-CE2 4.16Å; I647-Y1111 WeakPolarHBondContact CD1-OH 3.5Å | ||
| 1112 | L | 21.8 | Very low | 23 | Very low | 124 Ų | 124 | 104.2 Ų | 104.2 | 65% | 0.649 | 62% | 0.621 | S | S | * | * | 63.7 | 110.4 | 116.6 | -98.7 | 72.6 | 0 | 0 | 0 | 120.2 | |||||
| 1113 | S | 22.9 | Very low | 23.2 | Very low | 71 Ų | 71 | 113.7 Ų | 113.7 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | 60.5 | 134.1 | 120.3 | 70.1 | 0 | 0 | 0 | 0 | 119.4 | Y603 | Y603-S1113 PolarHBondContact O-N 3.33Å; Y603-S1113 VanDerWaalsContact O-N 3.1Å | |||
| 1114 | S | 24.5 | Very low | 23.6 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 78% | 0.783 | 66% | 0.662 | S | S | * | * | -153.8 | 152.7 | 50.3 | 63.5 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1115 | M | 23.7 | Very low | 23.6 | Very low | 85 Ų | 85 | 118.6 Ų | 118.6 | 42% | 0.419 | 67% | 0.668 | S | S | . | * | trans | -50.7 | 173.7 | 147.5 | -76.8 | -152.8 | 165.5 | 0 | 0 | 112.8 | R601 | R601-M1115 HydrophobicContact CB-CE 4.18Å; R601-M1115 HydrophobicContact CB-SD 3.73Å | ||
| 1116 | P | 28.2 | Very low | 23.7 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | cis | -126.6 | 168.5 | 21 | 19.2 | 7.8 | 0 | 0 | 0 | 115 | ||||
| 1117 | S | 22.5 | Very low | 23.7 | Very low | 91 Ų | 91 | 122.6 Ų | 122.6 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | cis | 89.8 | 108.1 | 33.7 | 107.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1118 | L | 25.8 | Very low | 23.8 | Very low | 166 Ų | 166 | 123 Ų | 123 | 87% | 0.869 | 67% | 0.672 | S | S | * | * | trans | -110 | 132.8 | 150.2 | -70.6 | 167 | 0 | 0 | 0 | 105.6 | ||||
| 1119 | S | 22.7 | Very low | 24.2 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | cis | 67.6 | 131.2 | 31.5 | 89.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1120 | S | 23.3 | Very low | 24.3 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | cis | -175.3 | 165.4 | -3.9 | 40.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1121 | A | 23.9 | Very low | 24.3 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | 64.8 | 130.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1122 | F | 29.7 | Very low | 24.3 | Very low | 190 Ų | 190 | 128.2 Ų | 128.2 | 83% | 0.833 | 70% | 0.702 | S | S | * | * | -150.7 | 149.1 | 110.8 | -111.9 | -77.3 | 0 | 0 | 0 | 109.6 | |||||
| 1123 | W | 26.3 | Very low | 24.4 | Very low | 250 Ų | 250 | 128 Ų | 128 | 95% | 0.947 | 71% | 0.706 | S | S | * | * | trans | -137.7 | 103 | 172.2 | -101.3 | 71.2 | 0 | 0 | 0 | 108.4 | ||||
| 1124 | H | 28.6 | Very low | 24.5 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | -154 | 138.4 | 157.5 | -85.3 | -69.4 | 0 | 0 | 0 | 105.6 | ||||
| 1125 | Q | 20.9 | Very low | 24.4 | Very low | 146 Ų | 146 | 130 Ų | 130 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | cis | 100.4 | 135 | 29.1 | -174 | -177.3 | 9.5 | 0 | 0 | 112.6 | ||||
| 1126 | N | 22.9 | Very low | 24.4 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | trans | 77.6 | 129.8 | 179.6 | -62.9 | -17.2 | 0 | 0 | 0 | 116.1 | ||||
| 1127 | Q | 21.3 | Very low | 24.1 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | cis | 78.7 | 136.4 | 36.7 | -68.5 | -163.5 | 21 | 0 | 0 | 113.5 | ||||
| 1128 | N | 21.9 | Very low | 24.3 | Very low | 124 Ų | 124 | 132 Ų | 132 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | cis | -127.7 | -161.9 | -12.6 | -75.5 | -50.3 | 0 | 0 | 0 | 108.3 | ||||
| 1129 | I | 28.3 | Very low | 24.5 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | -166.7 | 123.1 | 75.4 | -90.1 | 172.6 | 0 | 0 | 0 | 110.3 | |||||
| 1130 | T | 24.6 | Very low | 24.4 | Very low | 99 Ų | 99 | 131 Ų | 131 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | trans | 35.7 | 127.9 | 147.9 | 70.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1131 | N | 23.7 | Very low | 24.5 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | 71.8 | 168.3 | 126.1 | -61.5 | -1.6 | 0 | 0 | 0 | 121.3 | |||||
| 1132 | T | 23 | Very low | 24.4 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | trans | 64.5 | 89 | 144.6 | 36 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1133 | T | 23.3 | Very low | 24.1 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | 68.3 | 175.2 | 118.4 | 52.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 1134 | T | 24.8 | Very low | 24.1 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | trans | 61 | 90.7 | 168.2 | 42 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1135 | T | 23.2 | Very low | 24.1 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 70% | 0.699 | 69% | 0.69 | S | S | * | * | 55.7 | 133.1 | 64.7 | 84 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1136 | T | 23.1 | Very low | 24.4 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | cis | -167.3 | -138.8 | 5.5 | 13.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1137 | T | 23.3 | Very low | 24.6 | Very low | 109 Ų | 109 | 117 Ų | 117 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | 43 | 120.5 | 124.3 | 51.3 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1138 | T | 26.5 | Very low | 25 | Very low | 116 Ų | 116 | 114.2 Ų | 114.2 | 71% | 0.712 | 69% | 0.685 | S | S | * | * | cis | -171.8 | -177.6 | 17.3 | -1.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1139 | T | 28.6 | Very low | 25.1 | Very low | 102 Ų | 102 | 114.8 Ų | 114.8 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | trans | 49.5 | 108.2 | 145.1 | 52.1 | 0 | 0 | 0 | 0 | 118.9 | G1141 | T1139-G1141 PolarHBondContact O-N 2.98Š| ||
| 1140 | T | 22.3 | Very low | 25 | Very low | 135 Ų | 135 | 112.5 Ų | 112.5 | 83% | 0.828 | 69% | 0.685 | S | S | * | * | 29.5 | 72 | 112.2 | 57.7 | 0 | 0 | 0 | 0 | 115.1 | S1142 | T1140-S1142 PolarHBondContact O-N 2.75Š| |||
| 1141 | G | 23.7 | Very low | 25.1 | Very low | 78 Ų | 78 | 114.7 Ų | 114.7 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -90.1 | 14.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | T1139 | T1139-G1141 PolarHBondContact O-N 2.98Š| ||
| 1142 | S | 22.9 | Very low | 25.3 | Very low | 90 Ų | 90 | 112.7 Ų | 112.7 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | trans | 41.3 | 111.6 | 157.1 | -122.8 | 0 | 0 | 0 | 0 | 119.2 | T1140 | T1140-S1142 PolarHBondContact O-N 2.75Š| ||
| 1143 | N | 23.9 | Very low | 25.7 | Very low | 126 Ų | 126 | 111.4 Ų | 111.4 | 67% | 0.674 | 70% | 0.697 | S | S | * | * | 75.1 | 140.6 | 116.4 | -81.3 | 9 | 0 | 0 | 0 | 121.4 | |||||
| 1144 | N | 26 | Very low | 26 | Very low | 118 Ų | 118 | 112.4 Ų | 112.4 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | trans | 73.7 | 152.4 | 133.8 | -67.3 | 5 | 0 | 0 | 0 | 117 | ||||
| 1145 | N | 29 | Very low | 26.3 | Very low | 116 Ų | 116 | 114.1 Ų | 114.1 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | cis | -177.9 | -176.7 | -10.7 | -104.5 | -4.5 | 0 | 0 | 0 | 105.5 | ||||
| 1146 | N | 26.2 | Very low | 26.5 | Very low | 106 Ų | 106 | 113.2 Ų | 113.2 | 57% | 0.567 | 70% | 0.701 | S | S | * | * | cis | -154.7 | 156.7 | -5.3 | -127.1 | -13.1 | 0 | 0 | 0 | 107.4 | ||||
| 1147 | N | 28.3 | Very low | 26.6 | Very low | 125 Ų | 125 | 112.2 Ų | 112.2 | 67% | 0.668 | 70% | 0.698 | S | S | * | * | trans | 64.9 | 172.8 | 146.5 | -62.3 | -14.3 | 0 | 0 | 0 | 114.9 | ||||
| 1148 | S | 29.1 | Very low | 26.8 | Very low | 97 Ų | 97 | 114.3 Ų | 114.3 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | cis | -139.9 | 131.9 | 14.6 | -50.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1149 | N | 24.2 | Very low | 26.6 | Very low | 135 Ų | 135 | 115.4 Ų | 115.4 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | 61.2 | 135.2 | 139.5 | -51.2 | -11.5 | 0 | 0 | 0 | 117 | ||||
| 1150 | S | 26.6 | Very low | 26.4 | Very low | 104 Ų | 104 | 117.9 Ų | 117.9 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | cis | -166 | 150.9 | 42 | 24.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1151 | N | 26 | Very low | 26.5 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | cis | -149.4 | 152.2 | 3.2 | -88.8 | -31.9 | 0 | 0 | 0 | 110.9 | ||||
| 1152 | A | 28.1 | Very low | 26.5 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | trans | 63.7 | 141.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1153 | A | 30.4 | Very low | 26.6 | Very low | 82 Ų | 82 | 125.1 Ų | 125.1 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | cis | -164.6 | 149.3 | -15.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1154 | N | 29.5 | Very low | 26.5 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | 76.6 | 123.7 | 147.4 | -63.6 | -1.3 | 0 | 0 | 0 | 123.6 | ||||
| 1155 | N | 32.1 | Very low | 26.7 | Very low | 147 Ų | 147 | 125 Ų | 125 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | trans | 77.2 | 147.8 | 142.2 | -56.8 | -1.1 | 0 | 0 | 0 | 120.7 | ||||
| 1156 | S | 27.3 | Very low | 26.4 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | cis | -170.8 | 157.2 | -25.4 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1157 | S | 24.4 | Very low | 26.2 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | trans | 53.3 | 129.7 | 140.3 | 62.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1158 | D | 27.5 | Very low | 26.1 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 82 | 109.5 | 134.7 | -54.5 | -5.9 | 0 | 0 | 0 | 124.1 | ||||
| 1159 | D | 23.6 | Very low | 25.9 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | 57.1 | 130.3 | 123 | -116.2 | 26.2 | 0 | 0 | 0 | 125.5 | |||||
| 1160 | Q | 23.6 | Very low | 25.9 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | trans | 74 | 139.1 | 155.9 | -54 | -175.4 | 25.1 | 0 | 0 | 123.1 | ||||
| 1161 | K | 24.9 | Very low | 25.8 | Very low | 184 Ų | 184 | 140 Ų | 140 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | 93.4 | 134.9 | 156.9 | -66.6 | 174.8 | -177.3 | 170.1 | 0 | 122.3 | ||||
| 1162 | L | 23.9 | Very low | 25.8 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | 76.7 | 94.5 | 143.5 | -98.6 | 59.8 | 0 | 0 | 0 | 124.2 | ||||
| 1163 | F | 23.9 | Very low | 25.6 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 54% | 0.539 | 77% | 0.77 | S | S | . | * | 65.8 | 112 | 119.1 | -86.6 | -71 | 0 | 0 | 0 | 125.7 | L700 | L700-F1163 HydrophobicContact CD1-CE1 3.52Å; L700-F1163 HydrophobicContact CD1-CZ 3.91Å | |||
| 1164 | S | 22.6 | Very low | 25.3 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | 56.1 | 121.1 | 132.8 | 61.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1165 | V | 29.5 | Very low | 25.2 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 90% | 0.903 | 77% | 0.768 | S | S | * | * | -169.5 | 145.4 | 112.1 | 142.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 1166 | Q | 23.4 | Very low | 24.9 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -154.6 | 114 | -171.6 | -178 | -172.4 | 20 | 0 | 0 | 113.5 | ||||
| 1167 | M | 22.3 | Very low | 24.7 | Very low | 168 Ų | 168 | 155.2 Ų | 155.2 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | -169.1 | 164.1 | 152.6 | -125.4 | -176 | 178.4 | 0 | 0 | 115.2 | ||||
| 1168 | N | 24.7 | Very low | 24.8 | Very low | 132 Ų | 132 | 159.3 Ų | 159.3 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | 66.2 | 89.4 | 155.7 | -61.9 | -21.2 | 0 | 0 | 0 | 120.3 | ||||
| 1169 | N | 25.4 | Very low | 24.7 | Very low | 166 Ų | 166 | 160.5 Ų | 160.5 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -156.9 | 48.5 | 135.2 | -122.4 | -26.8 | 0 | 0 | 0 | 115 | ||
| 1170 | F | 24.2 | Very low | 24.8 | Very low | 207 Ų | 207 | 159.7 Ų | 159.7 | 91% | 0.908 | 79% | 0.785 | S | S | * | * | trans | -147.3 | 71.4 | 172.4 | -113.4 | -77.5 | 0 | 0 | 0 | 112.2 | ||||
| 1171 | N | 25.2 | Very low | 25 | Very low | 138 Ų | 138 | 157.7 Ų | 157.7 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -162.7 | 86.9 | 163.4 | -108.6 | -37.5 | 0 | 0 | 0 | 110.6 | ||||
| 1172 | K | 25.6 | Very low | 25.6 | Very low | 212 Ų | 212 | 158.4 Ų | 158.4 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | trans | -106.8 | 38.2 | -177.1 | -151.6 | 173.8 | -175.2 | 178.7 | 0 | 112.6 | ||||
| 1173 | L | 23.8 | Very low | 26.6 | Very low | 165 Ų | 165 | 159 Ų | 159 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -148.7 | 31 | -176.9 | -148.9 | 81.2 | 0 | 0 | 0 | 114.8 | ||
| 1174 | T | 24.8 | Very low | 28.2 | Very low | 84 Ų | 84 | 155.8 Ų | 155.8 | 52% | 0.515 | 77% | 0.77 | S | S | . | * | trans | -129.9 | 29.3 | -174.9 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | Y1176 | T1174-Y1176 PolarHBondContact O-N 2.7Š| ||
| 1175 | N | 25.5 | Very low | 30.4 | Very low | 164 Ų | 164 | 153 Ų | 153 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -94.6 | 29.4 | 175.2 | -85.7 | 12.3 | 0 | 0 | 0 | 114.8 | ||||
| 1176 | Y | 26.2 | Very low | 32.7 | Very low | 229 Ų | 229 | 146.6 Ų | 146.6 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | trans | -124.3 | 38 | 170.3 | -92 | -79.6 | 0 | 0 | 0 | 111.9 | T1174 | T1174-Y1176 PolarHBondContact O-N 2.7Š| ||
| 1177 | K | 23 | Very low | 35.6 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 76% | 0.761 | 69% | 0.694 | S | S | * | * | trans | -117.3 | 14.8 | -175 | -135.4 | 175.7 | -176.2 | -179.7 | 0 | 115.9 | ||||
| 1178 | H | 26.6 | Very low | 38.7 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 81% | 0.81 | 66% | 0.664 | S | S | * | * | trans | -117.1 | 23.3 | 172.7 | -98 | -73.1 | 0 | 0 | 0 | 115.1 | I1180 | H1178-I1180 VanDerWaalsContact C-N 3.26Å; H1178-I1180 PolarHBondContact O-N 2.87Å | ||
| 1179 | M | 25.1 | Very low | 41.7 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 87% | 0.872 | 63% | 0.634 | S | S | * | * | trans | -90.5 | 59.2 | 155.7 | -73.8 | -165 | 73.8 | 0 | 0 | 111.2 | ||||
| 1180 | I | 26.2 | Very low | 44.6 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 63% | 0.631 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 126.6 | 155.6 | -58 | 174.7 | 0 | 0 | 0 | 105.5 | H1178 K1182 | H1178-I1180 VanDerWaalsContact C-N 3.26Å; H1178-I1180 PolarHBondContact O-N 2.87Å; I1180-K1182 PolarHBondContact O-N 3.24Å |
| 1181 | P | 29.1 | Very low | 47.6 | Very low | 111 Ų | 111 | 113.7 Ų | 113.7 | 72% | 0.721 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -60 | 117.7 | 175.1 | 24.9 | -32.8 | 0 | 0 | 0 | 108.3 | R1183 | P1181-R1183 PolarHBondContact O-N 2.97Š|
| 1182 | K | 37.3 | Very low | 50.6 | Low | 199 Ų | 199 | 107.6 Ų | 107.6 | 87% | 0.865 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -49.2 | 117.8 | 177.4 | -78.6 | -175.5 | 175.9 | 179.7 | 0 | 107.8 | I1180 V1184 | I1180-K1182 PolarHBondContact O-N 3.24Å; K1182-V1184 PolarHBondContact O-N 2.92Å |
| 1183 | R | 45 | Very low | 53.5 | Low | 163 Ų | 163 | 98 Ų | 98 | 62% | 0.615 | 48% | 0.484 | S | S | * | . | trans | -55.7 | 107.8 | -179.7 | -78.4 | -177.8 | 170.6 | -172.1 | -3.4 | 108 | P1181 G1185 | P1181-R1183 PolarHBondContact O-N 2.97Å; R1183-G1185 PolarHBondContact O-N 3.49Å | ||
| 1184 | V | 56.8 | Low | 56.5 | Low | 55 Ų | 55 | 90.3 Ų | 90.3 | 33% | 0.333 | 44% | 0.444 | S | S | . | . | trans | -63 | 114.3 | -175.5 | -175.8 | 0 | 0 | 0 | 0 | 109 | Y410 K412 K1182 | Y410-V1184 HydrophobicContact CD2-CG1 3.86Å; K412-V1184 PolarHBondContact NZ-O 2.83Å; K1182-V1184 PolarHBondContact O-N 2.92Å | ||
| 1185 | G | 68 | Low | 59.2 | Low | 34 Ų | 34 | 88.8 Ų | 88.8 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | trans | -153.6 | 170.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y410 R1183 D1187 | Y410-G1185 WeakPolarHBondContact O-CA 3.38Å; R1183-G1185 PolarHBondContact O-N 3.49Å; G1185-D1187 PolarHBondContact O-N 3.27Å | ||
| 1186 | V | 78.9 | Confident | 61.8 | Low | 14 Ų | 14 | 81.4 Ų | 81.4 | 9% | 0.085 | 40% | 0.401 | C | S | . | . | trans | -52.4 | 124.7 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | F199 Y410 F411 W1188 L1191 | F199-V1186 HydrophobicContact CE2-CG1 4.17Å; F199-V1186 HydrophobicContact CE2-CG2 4.26Å; Y410-V1186 PolarHBondContact O-N 3.48Å; F411-V1186 HydrophobicContact CB-CG2 3.97Å; F411-V1186 HydrophobicContact CD2-CG2 4.16Å; V1186-W1188 VanDerWaalsContact C-N 3.3Å; V1186-W1188 HydrophobicContact CB-CD2 4.17Å; V1186-W1188 HydrophobicContact CB-CH2 4.41Å; V1186-W1188 HydrophobicContact CB-CZ2 3.86Å; V1186-W1188 HydrophobicContact CG1-CD2 3.72Å; V1186-W1188 HydrophobicContact CG1-CE3 3.89Å; V1186-W1188 HydrophobicContact CG1-CG 4.2Å; V1186-W1188 HydrophobicContact CG1-CH2 4.21Å; V1186-W1188 HydrophobicContact CG1-CZ2 4.04Å; V1186-W1188 HydrophobicContact CG1-CZ3 4.14Å; V1186-W1188 HydrophobicContact CG2-CZ2 4.17Å; V1186-W1188 PolarHBondContact O-N 2.84Å; V1186-W1188 PolarHBondContact O-NE1 3.36Å; V1186-L1191 HydrophobicContact CG1-CD1 3.34Å; V1186-L1191 HydrophobicContact CG1-CG 4.36Å | ||
| 1187 | D | 83.8 | Confident | 64 | Low | 72 Ų | 72 | 73 Ų | 73 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | trans | -78.2 | 84.9 | 166 | -176.6 | 6.3 | 0 | 0 | 0 | 109.6 | G1185 K1189 S1190 | G1185-D1187 PolarHBondContact O-N 3.27Å; D1187-K1189 PolarHBondContact O-N 2.93Å; D1187-K1189 WeakPolarHBondContact OD1-CB 3.38Å; D1187-K1189 PolarHBondContact OD1-N 3.46Å; D1187-S1190 PolarHBondContact O-N 3.46Å; D1187-S1190 VanDerWaalsContact O-N 3.14Å | ||
| 1188 | W | 88.1 | Confident | 66 | Low | 52 Ų | 52 | 65.7 Ų | 65.7 | 20% | 0.197 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.1 | -26.4 | 177.8 | -58.3 | 100 | 0 | 0 | 0 | 112.9 | F199 K202 F207 F411 V1186 L1191 I1192 | F199-W1188 AromaticContact CD2-CH2 3.68Å; F199-W1188 HydrophobicContact CD2-CH2 3.68Å; F199-W1188 HydrophobicContact CD2-CZ3 4.07Å; F199-W1188 AromaticContact CE2-CH2 3.56Å; F199-W1188 HydrophobicContact CE2-CH2 3.56Å; F199-W1188 AromaticContact CE2-CZ3 3.52Å; F199-W1188 HydrophobicContact CE2-CZ3 3.52Å; F199-W1188 HydrophobicContact CZ-CZ3 4.11Å; K202-W1188 HydrophobicContact CD-CH2 3.93Å; K202-W1188 HydrophobicContact CD-CZ2 4.11Å; F207-W1188 AromaticContact CD2-CD2 3.85Å; F207-W1188 HydrophobicContact CD2-CD2 3.85Å; F207-W1188 AromaticContact CD2-CE3 3.36Å; F207-W1188 HydrophobicContact CD2-CE3 3.36Å; F207-W1188 HydrophobicContact CD2-CG 4.49Å; F207-W1188 HydrophobicContact CD2-CH2 4.45Å; F207-W1188 AromaticContact CD2-CZ3 3.7Å; F207-W1188 HydrophobicContact CD2-CZ3 3.7Å; F207-W1188 AromaticContact CE2-CD2 3.28Å; F207-W1188 HydrophobicContact CE2-CD2 3.28Å; F207-W1188 AromaticContact CE2-CE2 3.64Å; F207-W1188 AromaticContact CE2-CE3 3.25Å; F207-W1188 HydrophobicContact CE2-CE3 3.25Å; F207-W1188 AromaticContact CE2-CG 3.91Å; F207-W1188 HydrophobicContact CE2-CG 3.91Å; F207-W1188 AromaticContact CE2-CH2 3.93Å; F207-W1188 HydrophobicContact CE2-CH2 3.93Å; F207-W1188 AromaticContact CE2-CZ2 3.96Å; F207-W1188 HydrophobicContact CE2-CZ2 3.96Å; F207-W1188 AromaticContact CE2-CZ3 3.58Å; F207-W1188 HydrophobicContact CE2-CZ3 3.58Å; F207-W1188 HydrophobicContact CG-CE3 4.36Å; F207-W1188 AromaticContact CZ-CD2 3.79Å; F207-W1188 HydrophobicContact CZ-CD2 3.79Å; F207-W1188 HydrophobicContact CZ-CE3 4.19Å; F207-W1188 AromaticContact CZ-CG 3.94Å; F207-W1188 HydrophobicContact CZ-CG 3.94Å; F411-W1188 HydrophobicContact CD2-CH2 4.14Å; F411-W1188 HydrophobicContact CD2-CZ2 4.15Å; F411-W1188 HydrophobicContact CE2-CH2 4.05Å; F411-W1188 HydrophobicContact CE2-CZ2 4.15Å; V1186-W1188 VanDerWaalsContact C-N 3.3Å; V1186-W1188 HydrophobicContact CB-CD2 4.17Å; V1186-W1188 HydrophobicContact CB-CH2 4.41Å; V1186-W1188 HydrophobicContact CB-CZ2 3.86Å; V1186-W1188 HydrophobicContact CG1-CD2 3.72Å; V1186-W1188 HydrophobicContact CG1-CE3 3.89Å; V1186-W1188 HydrophobicContact CG1-CG 4.2Å; V1186-W1188 HydrophobicContact CG1-CH2 4.21Å; V1186-W1188 HydrophobicContact CG1-CZ2 4.04Å; V1186-W1188 HydrophobicContact CG1-CZ3 4.14Å; V1186-W1188 HydrophobicContact CG2-CZ2 4.17Å; V1186-W1188 PolarHBondContact O-N 2.84Å; V1186-W1188 PolarHBondContact O-NE1 3.36Å; W1188-L1191 HydrophobicContact CE3-CD1 4.33Å; W1188-L1191 PolarHBondContact O-N 3.36Å; W1188-I1192 HydrophobicContact CB-CD1 3.97Å; W1188-I1192 WeakPolarHBondContact O-CB 3.48Å; W1188-I1192 WeakPolarHBondContact O-CD1 3.4Å; W1188-I1192 WeakPolarHBondContact O-CG1 3.41Å; W1188-I1192 PolarHBondContact O-N 3.44Å; W1188-I1192 VanDerWaalsContact O-N 3.13Å |
| 1189 | K | 87 | Confident | 68.1 | Low | 20 Ų | 20 | 58 Ų | 58 | 9% | 0.087 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.9 | -34.6 | -178.7 | -166.5 | 171.8 | 178.7 | -178.7 | 0 | 112.4 | E102 Y104 D144 H914 D1187 L1191 V1193 | E102-K1189 IonicContact OE1-NZ 2.74Å; E102-K1189 PolarHBondContact OE1-NZ 3.11Å; E102-K1189 VanDerWaalsContact OE2-CE 3.31Å; E102-K1189 WeakPolarHBondContact OE2-CE 3.17Å; E102-K1189 IonicContact OE2-NZ 3.2Å; E102-K1189 PolarHBondContact OE2-NZ 2.69Å; Y104-K1189 WeakPolarHBondContact OH-CE 3.25Å; D144-K1189 IonicContact OD2-NZ 3.18Å; D144-K1189 PolarHBondContact OD2-NZ 3.21Å; H914-K1189 WeakPolarHBondContact CE1-CD 3.33Å; H914-K1189 WeakPolarHBondContact NE2-CD 3.41Å; H914-K1189 PolarHBondContact NE2-NZ 3.23Å; H914-K1189 VanDerWaalsContact NE2-NZ 3.15Å; D1187-K1189 PolarHBondContact O-N 2.93Å; D1187-K1189 WeakPolarHBondContact OD1-CB 3.38Å; D1187-K1189 PolarHBondContact OD1-N 3.46Å; K1189-L1191 VanDerWaalsContact C-N 3.28Å; K1189-L1191 PolarHBondContact O-N 3.1Å; K1189-V1193 HydrophobicContact CG-CG2 3.56Å; K1189-V1193 CarbonylContact O-C 3.6Å; K1189-V1193 VanDerWaalsContact O-CG2 3.3Å; K1189-V1193 WeakPolarHBondContact O-CG2 3.31Å; K1189-V1193 PolarHBondContact O-N 3.1Å |
| 1190 | S | 85.7 | Confident | 70.2 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 170.5 | -165.6 | 0 | 0 | 0 | 0 | 111.3 | D372 D1187 I1192 P1194 | D372-S1190 VanDerWaalsContact OD2-CB 3.31Å; D372-S1190 WeakPolarHBondContact OD2-CB 3.47Å; D372-S1190 PolarHBondContact OD2-OG 2.89Å; D1187-S1190 PolarHBondContact O-N 3.46Å; D1187-S1190 VanDerWaalsContact O-N 3.14Å; S1190-I1192 PolarHBondContact O-N 3.16Å; S1190-P1194 VanDerWaalsContact O-CA 3.32Å; S1190-P1194 WeakPolarHBondContact O-CA 3.31Å; S1190-P1194 WeakPolarHBondContact O-CD 3.4Å |
| 1191 | L | 87.2 | Confident | 71.9 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -79 | -12 | -174.4 | -53.6 | -173.6 | 0 | 0 | 0 | 115.8 | F199 L203 W208 L339 F341 D372 I374 V1186 W1188 K1189 | F199-L1191 HydrophobicContact CE2-CD1 4.16Å; F199-L1191 HydrophobicContact CZ-CD1 3.89Å; L203-L1191 HydrophobicContact CD1-CB 3.98Å; W208-L1191 PolarHBondContact NE1-O 2.94Å; L339-L1191 HydrophobicContact CD2-CD2 4.27Å; F341-L1191 HydrophobicContact CD2-CD2 3.61Å; F341-L1191 HydrophobicContact CE2-CD1 3.97Å; F341-L1191 HydrophobicContact CE2-CD2 3.55Å; F341-L1191 HydrophobicContact CE2-CG 4.32Å; D372-L1191 HydrophobicContact CB-CD2 4.06Å; D372-L1191 WeakPolarHBondContact OD2-CD2 3.43Å; I374-L1191 HydrophobicContact CD1-CD1 3.89Å; I374-L1191 HydrophobicContact CD1-CD2 4.24Å; V1186-L1191 HydrophobicContact CG1-CD1 3.34Å; V1186-L1191 HydrophobicContact CG1-CG 4.36Å; W1188-L1191 HydrophobicContact CE3-CD1 4.33Å; W1188-L1191 PolarHBondContact O-N 3.36Å; K1189-L1191 VanDerWaalsContact C-N 3.28Å; K1189-L1191 PolarHBondContact O-N 3.1Å |
| 1192 | I | 88.4 | Confident | 73.7 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.046 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -113.5 | -40.3 | -177 | -60.7 | 160.8 | 0 | 0 | 0 | 110.4 | F207 N211 C213 H215 W1188 S1190 | F207-I1192 HydrophobicContact CB-CD1 3.62Å; F207-I1192 HydrophobicContact CB-CG1 3.99Å; F207-I1192 HydrophobicContact CD1-CD1 4.01Å; F207-I1192 HydrophobicContact CG-CD1 3.93Å; N211-I1192 HydrophobicContact CB-CG2 3.47Å; N211-I1192 VanDerWaalsContact CB-CG2 3.47Å; C213-I1192 HydrophobicContact CB-CG2 4.3Å; C213-I1192 VanDerWaalsContact SG-CG2 3.56Å; C213-I1192 PolarHBondContact SG-O 3.41Å; C213-I1192 VanDerWaalsContact SG-O 3.34Å; H215-I1192 PolarHBondContact CE1-O 2.98Å; H215-I1192 PolarHBondContact NE2-O 3.36Å; H215-I1192 VanDerWaalsContact NE2-O 3.15Å; W1188-I1192 HydrophobicContact CB-CD1 3.97Å; W1188-I1192 WeakPolarHBondContact O-CB 3.48Å; W1188-I1192 WeakPolarHBondContact O-CD1 3.4Å; W1188-I1192 WeakPolarHBondContact O-CG1 3.41Å; W1188-I1192 PolarHBondContact O-N 3.44Å; W1188-I1192 VanDerWaalsContact O-N 3.13Å; S1190-I1192 PolarHBondContact O-N 3.16Å |
| 1193 | V | 87.9 | Confident | 75.6 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -135.3 | 68.9 | -178.6 | -80.1 | 0 | 0 | 0 | 0 | 109.6 | Y104 R166 S167 K1189 A1195 | Y104-V1193 HydrophobicContact CD1-CB 4.33Å; Y104-V1193 HydrophobicContact CD1-CG1 4.11Å; Y104-V1193 HydrophobicContact CE1-CB 3.92Å; Y104-V1193 HydrophobicContact CE1-CG1 4Å; Y104-V1193 HydrophobicContact CE1-CG2 3.85Å; R166-V1193 HydrophobicContact CB-CB 4.35Å; R166-V1193 WeakPolarHBondContact CD-O 3.47Å; R166-V1193 PolarHBondContact NH1-O 3.43Å; S167-V1193 WeakPolarHBondContact O-CA 3.34Å; K1189-V1193 HydrophobicContact CG-CG2 3.56Å; K1189-V1193 CarbonylContact O-C 3.6Å; K1189-V1193 VanDerWaalsContact O-CG2 3.3Å; K1189-V1193 WeakPolarHBondContact O-CG2 3.31Å; K1189-V1193 PolarHBondContact O-N 3.1Å; V1193-A1195 PolarHBondContact O-N 2.93Å |
| 1194 | P | 85.7 | Confident | 77.3 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 137.3 | -179.2 | 20 | -33.1 | 0 | 0 | 0 | 111.5 | R166 S167 A170 L339 S1190 | R166-P1194 WeakPolarHBondContact CA-O 3.35Å; S167-P1194 PolarHBondContact N-O 3.07Å; S167-P1194 WeakPolarHBondContact O-CD 3.26Å; A170-P1194 HydrophobicContact CB-CG 3.69Å; L339-P1194 HydrophobicContact CB-CB 4.32Å; L339-P1194 HydrophobicContact CD2-CB 4.42Å; S1190-P1194 VanDerWaalsContact O-CA 3.32Å; S1190-P1194 WeakPolarHBondContact O-CA 3.31Å; S1190-P1194 WeakPolarHBondContact O-CD 3.4Å |
| 1195 | A | 81.4 | Confident | 78.4 | Confident | 51 Ų | 51 | 34.1 Ų | 34.1 | 42% | 0.421 | 19% | 0.192 | S | C | . | . | B | Isolated β-bridge | trans | -70 | 136.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | I164 F165 V1193 | I164-A1195 HydrophobicContact CG2-CB 4.29Å; F165-A1195 CarbonylContact O-C 3.53Å; F165-A1195 WeakPolarHBondContact O-CA 3.37Å; V1193-A1195 PolarHBondContact O-N 2.93Å |
| 1196 | C | 80.9 | Confident | 79.1 | Confident | 10 Ų | 10 | 34.9 Ų | 34.9 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -80.1 | 150.3 | 161 | -66.1 | 0 | 0 | 0 | 0 | 108.6 | F115 F165 | F115-C1196 HydrophobicContact CE2-CB 3.74Å; F115-C1196 HydrophobicContact CZ-CB 3.92Å; F165-C1196 HydrophobicContact CB-CB 4.18Å; F165-C1196 PolarHBondContact O-N 3.46Å |
| 1197 | L | 71 | Confident | 79 | Confident | 51 Ų | 51 | 38.3 Ų | 38.3 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -59.4 | 127.9 | -177.9 | -159.8 | 80.3 | 0 | 0 | 0 | 110.1 | ||
| 1198 | P | 65.3 | Low | 78.6 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 160.7 | 173.8 | 23 | -31.2 | 0 | 0 | 0 | 112 | D1200 T1201 | P1198-D1200 VanDerWaalsContact C-N 3.34Å; P1198-D1200 WeakPolarHBondContact CB-OD1 3.46Å; P1198-T1201 HydrophobicContact CB-CG2 4.28Å; P1198-T1201 HydrophobicContact CG-CG2 3.64Å |
| 1199 | V | 70.7 | Confident | 78.1 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -86.5 | -10.3 | -171.2 | -173.4 | 0 | 0 | 0 | 0 | 111.7 | F115 C116 I1265 Q1270 L1271 | F115-V1199 HydrophobicContact CB-CG2 4.04Å; C116-V1199 HydrophobicContact CB-CG1 4.27Å; V1199-I1265 HydrophobicContact CG1-CD1 4.42Å; V1199-I1265 HydrophobicContact CG1-CG2 3.94Å; V1199-Q1270 CarbonylContact O-C 3.43Å; V1199-Q1270 VanDerWaalsContact O-CA 3.32Å; V1199-Q1270 WeakPolarHBondContact O-CA 3.48Å; V1199-L1271 HydrophobicContact CG1-CD1 4.24Å; V1199-L1271 PolarHBondContact O-N 2.75Å |
| 1200 | D | 68.8 | Low | 77.8 | Confident | 58 Ų | 58 | 42 Ų | 42 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -138.3 | 23.9 | -151.4 | 62.4 | -38 | 0 | 0 | 0 | 114.4 | P1198 | P1198-D1200 VanDerWaalsContact C-N 3.34Å; P1198-D1200 WeakPolarHBondContact CB-OD1 3.46Å |
| 1201 | T | 62.8 | Low | 77.2 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 42% | 0.423 | 26% | 0.261 | S | S | . | . | trans | -103.5 | -2.3 | -169.5 | 31.5 | 0 | 0 | 0 | 0 | 118.1 | P1198 Q1270 | P1198-T1201 HydrophobicContact CB-CG2 4.28Å; P1198-T1201 HydrophobicContact CG-CG2 3.64Å; T1201-Q1270 PolarHBondContact OG1-OE1 3.1Å | ||
| 1202 | D | 66.7 | Low | 76.6 | Confident | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | trans | -104.5 | 149.9 | -168.7 | -160.1 | 11.5 | 0 | 0 | 0 | 114.5 | Q1270 C1272 S1514 G1516 | D1202-Q1270 HydrophobicContact CB-CB 3.85Å; D1202-Q1270 HydrophobicContact CB-CG 4.36Å; D1202-C1272 PolarHBondContact O-SG 2.76Å; D1202-C1272 VanDerWaalsContact O-SG 3.41Å; D1202-S1514 VanDerWaalsContact CB-OG 3.23Å; D1202-S1514 WeakPolarHBondContact CB-OG 3.47Å; D1202-S1514 WeakPolarHBondContact OD2-CB 3.44Å; D1202-S1514 PolarHBondContact OD2-OG 3.15Å; D1202-G1516 PolarHBondContact OD2-N 3.2Å | ||
| 1203 | Y | 76.8 | Confident | 75.6 | Confident | 117 Ų | 117 | 60.8 Ų | 60.8 | 46% | 0.459 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 130.3 | -171.9 | 164.7 | -101.9 | 0 | 0 | 0 | 112.1 | P1205 D1206 | Y1203-P1205 HydrophobicContact CE1-CB 4.36Å; Y1203-P1205 HydrophobicContact CE1-CG 4.42Å; Y1203-D1206 PolarHBondContact OH-N 3.48Å; Y1203-D1206 PolarHBondContact OH-OD1 3.36Å |
| 1204 | F | 80.8 | Confident | 75.1 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 12% | 0.118 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 120.6 | 174.8 | -157.1 | -87 | 0 | 0 | 0 | 110.7 | L1210 C1272 K1512 F1519 | F1204-L1210 HydrophobicContact CD1-CD1 4.23Å; F1204-L1210 HydrophobicContact CE1-CD1 3.52Å; F1204-L1210 HydrophobicContact CZ-CD1 4.12Å; F1204-C1272 HydrophobicContact CB-CB 3.85Å; F1204-C1272 HydrophobicContact CD2-CB 4.29Å; F1204-K1512 HydrophobicContact CD1-CD 4.09Å; F1204-K1512 HydrophobicContact CD2-CB 3.83Å; F1204-K1512 HydrophobicContact CD2-CD 4.3Å; F1204-K1512 HydrophobicContact CD2-CG 4.26Å; F1204-K1512 HydrophobicContact CE1-CD 4.36Å; F1204-K1512 HydrophobicContact CE2-CB 4.03Å; F1204-K1512 HydrophobicContact CE2-CG 4.21Å; F1204-K1512 HydrophobicContact CG-CB 4.37Å; F1204-K1512 HydrophobicContact CG-CD 4.05Å; F1204-K1512 HydrophobicContact CZ-CG 4.42Å; F1204-F1519 HydrophobicContact CD2-CD1 4.25Å; F1204-F1519 HydrophobicContact CE2-CB 3.88Å; F1204-F1519 HydrophobicContact CE2-CD1 4.44Å; F1204-F1519 HydrophobicContact CZ-CB 4.19Å |
| 1205 | P | 79.9 | Confident | 75 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 7% | 0.071 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 146.9 | -176.4 | -24.7 | 33.9 | 0 | 0 | 0 | 114.7 | Y1203 R1209 L1210 F1519 | Y1203-P1205 HydrophobicContact CE1-CB 4.36Å; Y1203-P1205 HydrophobicContact CE1-CG 4.42Å; P1205-R1209 HydrophobicContact CB-CB 4.25Å; P1205-L1210 HydrophobicContact CB-CD2 4.1Å; P1205-L1210 HydrophobicContact CB-CG 4.14Å; P1205-L1210 HydrophobicContact CG-CD2 4.17Å; P1205-F1519 VanDerWaalsContact CD-CD1 3.46Å; P1205-F1519 HydrophobicContact CG-CD1 4.21Å; P1205-F1519 HydrophobicContact CG-CD2 4.37Å; P1205-F1519 HydrophobicContact CG-CE1 3.72Å; P1205-F1519 HydrophobicContact CG-CE2 3.87Å; P1205-F1519 HydrophobicContact CG-CZ 3.52Å |
| 1206 | D | 82.4 | Confident | 75 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 139.2 | 171.7 | -57.3 | -14.8 | 0 | 0 | 0 | 110.9 | Y1203 C1208 R1209 | Y1203-D1206 PolarHBondContact OH-N 3.48Å; Y1203-D1206 PolarHBondContact OH-OD1 3.36Å; D1206-C1208 PolarHBondContact O-N 3.27Å; D1206-R1209 WeakPolarHBondContact O-CB 3.16Å; D1206-R1209 PolarHBondContact O-N 3.38Å |
| 1207 | T | 77.5 | Confident | 75.2 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 52% | 0.521 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -20.9 | -171.8 | 61.3 | 0 | 0 | 0 | 0 | 115.1 | R1211 | T1207-R1211 WeakPolarHBondContact O-CD 3.4Å; T1207-R1211 VanDerWaalsContact O-CG 3.3Å; T1207-R1211 WeakPolarHBondContact O-CG 3.4Å; T1207-R1211 PolarHBondContact O-N 3.16Å |
| 1208 | C | 76.6 | Confident | 75.8 | Confident | 103 Ų | 103 | 77.5 Ų | 77.5 | 70% | 0.696 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -31.9 | 173.1 | -61.1 | 0 | 0 | 0 | 0 | 113 | D1206 | D1206-C1208 PolarHBondContact O-N 3.27Š|
| 1209 | R | 76.9 | Confident | 76.8 | Confident | 110 Ų | 110 | 81 Ų | 81 | 42% | 0.415 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -44.4 | 178.1 | -70.5 | -179.5 | 162.2 | -153.6 | -11.2 | 111.7 | L1107 P1205 D1206 R1211 S1212 Y1215 | L1107-R1209 VanDerWaalsContact CD2-NH2 3.3Å; P1205-R1209 HydrophobicContact CB-CB 4.25Å; D1206-R1209 WeakPolarHBondContact O-CB 3.16Å; D1206-R1209 PolarHBondContact O-N 3.38Å; R1209-R1211 PolarHBondContact O-N 3.31Å; R1209-R1211 VanDerWaalsContact O-N 3.1Å; R1209-S1212 WeakPolarHBondContact O-CB 3.18Å; R1209-S1212 PolarHBondContact O-N 3.42Å; R1209-S1212 PolarHBondContact O-OG 3.01Å; R1209-Y1215 WeakPolarHBondContact O-CD2 3.4Å |
| 1210 | L | 80.1 | Confident | 77.8 | Confident | 10 Ų | 10 | 82.8 Ų | 82.8 | 5% | 0.052 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.1 | 176.6 | -60.3 | 175.6 | 0 | 0 | 0 | 113.7 | F1204 P1205 F1519 Y1534 | F1204-L1210 HydrophobicContact CD1-CD1 4.23Å; F1204-L1210 HydrophobicContact CE1-CD1 3.52Å; F1204-L1210 HydrophobicContact CZ-CD1 4.12Å; P1205-L1210 HydrophobicContact CB-CD2 4.1Å; P1205-L1210 HydrophobicContact CB-CG 4.14Å; P1205-L1210 HydrophobicContact CG-CD2 4.17Å; L1210-F1519 HydrophobicContact CD2-CD2 3.86Å; L1210-F1519 HydrophobicContact CD2-CE2 4.46Å; L1210-F1519 HydrophobicContact CD2-CG 4.27Å; L1210-Y1534 HydrophobicContact CB-CD1 3.8Å; L1210-Y1534 HydrophobicContact CB-CE1 3.84Å; L1210-Y1534 HydrophobicContact CB-CG 4.27Å; L1210-Y1534 HydrophobicContact CD1-CD2 4.2Å; L1210-Y1534 HydrophobicContact CD1-CE2 4.16Å; L1210-Y1534 HydrophobicContact CD1-CG 4.47Å; L1210-Y1534 HydrophobicContact CD2-CD1 4.4Å; L1210-Y1534 HydrophobicContact CD2-CD2 4.44Å; L1210-Y1534 HydrophobicContact CD2-CG 4.07Å; L1210-Y1534 HydrophobicContact CG-CG 4.5Å |
| 1211 | R | 72.7 | Confident | 78.7 | Confident | 201 Ų | 201 | 87.1 Ų | 87.1 | 76% | 0.758 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 6.9 | 174.6 | -70.5 | 175.2 | 177.8 | 176 | 1 | 113.8 | T1207 R1209 | T1207-R1211 WeakPolarHBondContact O-CD 3.4Å; T1207-R1211 VanDerWaalsContact O-CG 3.3Å; T1207-R1211 WeakPolarHBondContact O-CG 3.4Å; T1207-R1211 PolarHBondContact O-N 3.16Å; R1209-R1211 PolarHBondContact O-N 3.31Å; R1209-R1211 VanDerWaalsContact O-N 3.1Å |
| 1212 | S | 74.4 | Confident | 79.8 | Confident | 44 Ų | 44 | 84 Ų | 84 | 31% | 0.308 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -80.1 | 158.5 | 172.8 | 68.7 | 0 | 0 | 0 | 0 | 111.1 | R1209 W1214 Y1215 | R1209-S1212 WeakPolarHBondContact O-CB 3.18Å; R1209-S1212 PolarHBondContact O-N 3.42Å; R1209-S1212 PolarHBondContact O-OG 3.01Å; S1212-W1214 PolarHBondContact O-N 3.09Å; S1212-Y1215 PolarHBondContact O-N 3.09Å |
| 1213 | E | 69.3 | Low | 80.6 | Confident | 184 Ų | 184 | 86.6 Ų | 86.6 | 86% | 0.86 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -5.3 | 180 | -60.4 | 179 | 159.6 | 0 | 0 | 114.2 | I1537 | E1213-I1537 VanDerWaalsContact O-CD1 3.32Å; E1213-I1537 WeakPolarHBondContact O-CD1 3.48Å |
| 1214 | W | 77.5 | Confident | 80.6 | Confident | 181 Ų | 181 | 81.8 Ų | 81.8 | 69% | 0.686 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -8.5 | -179.5 | -60.6 | 67.2 | 0 | 0 | 0 | 113 | S1212 E1536 I1537 | S1212-W1214 PolarHBondContact O-N 3.09Å; W1214-E1536 CarbonylContact O-C 3.51Å; W1214-E1536 WeakPolarHBondContact O-CA 3.48Å; W1214-I1537 WeakPolarHBondContact O-CG1 3.3Å; W1214-I1537 PolarHBondContact O-N 3.41Å |
| 1215 | Y | 82.2 | Confident | 79.7 | Confident | 45 Ų | 45 | 85.3 Ų | 85.3 | 18% | 0.176 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.6 | 178.9 | -68.8 | -83.6 | 0 | 0 | 0 | 112.6 | R1209 S1212 F1519 R1535 E1536 | R1209-Y1215 WeakPolarHBondContact O-CD2 3.4Å; S1212-Y1215 PolarHBondContact O-N 3.09Å; Y1215-F1519 HydrophobicContact CE1-CD2 4.27Å; Y1215-F1519 AromaticContact CE1-CE2 3.97Å; Y1215-F1519 HydrophobicContact CE1-CE2 3.97Å; Y1215-R1535 CarbonylContact C-O 3.09Å; Y1215-R1535 WeakPolarHBondContact CA-O 3.5Å; Y1215-E1536 HydrophobicContact CD1-CB 4.04Å; Y1215-E1536 HydrophobicContact CD1-CG 4.37Å; Y1215-E1536 HydrophobicContact CE1-CB 3.59Å; Y1215-E1536 HydrophobicContact CE1-CG 3.78Å; Y1215-E1536 WeakPolarHBondContact CE1-OE2 3.21Å; Y1215-E1536 VanDerWaalsContact CZ-OE2 3.3Å; Y1215-E1536 PolarHBondContact OH-OE2 2.92Å |
| 1216 | T | 81.2 | Confident | 78.5 | Confident | 51 Ų | 51 | 86.9 Ų | 86.9 | 31% | 0.313 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134 | 169.5 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | Y1534 R1535 I1537 | T1216-Y1534 WeakPolarHBondContact O-CA 3.3Å; T1216-R1535 PolarHBondContact N-O 3.24Å; T1216-R1535 PolarHBondContact O-N 3.09Å; T1216-R1535 PolarHBondContact OG1-O 3.49Å; T1216-I1537 HydrophobicContact CG2-CD1 4Å; T1216-I1537 HydrophobicContact CG2-CG1 3.9Å |
| 1217 | L | 85.9 | Confident | 77 | Confident | 94 Ų | 94 | 87.8 Ų | 87.8 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.1 | -179 | 173.6 | 62.5 | 0 | 0 | 0 | 110.5 | T1532 S1533 Y1534 | L1217-T1532 HydrophobicContact CD1-CG2 3.78Å; L1217-S1533 CarbonylContact C-O 3.55Å; L1217-S1533 WeakPolarHBondContact CA-O 3.46Å; L1217-Y1534 HydrophobicContact CD1-CD1 4.06Å; L1217-Y1534 HydrophobicContact CD1-CE1 3.78Å |
| 1218 | H | 83.9 | Confident | 76 | Confident | 106 Ų | 106 | 85.8 Ų | 85.8 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 113.8 | 173.5 | -61.2 | 75.4 | 0 | 0 | 0 | 109.6 | S1533 | H1218-S1533 PolarHBondContact N-O 3.22Å; H1218-S1533 PolarHBondContact O-N 3.07Å |
| 1219 | D | 86.9 | Confident | 74.9 | Confident | 97 Ų | 97 | 84 Ų | 84 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.8 | 178.9 | -71.3 | -42.7 | 0 | 0 | 0 | 110.9 | V1531 T1532 | D1219-V1531 WeakPolarHBondContact CA-O 3.23Å; D1219-T1532 VanDerWaalsContact OD1-CA 3.32Å; D1219-T1532 WeakPolarHBondContact OD1-CA 3.38Å; D1219-T1532 WeakPolarHBondContact OD1-CB 3.31Å; D1219-T1532 VanDerWaalsContact OD1-CG2 3.28Å; D1219-T1532 WeakPolarHBondContact OD1-CG2 3.48Å; D1219-T1532 PolarHBondContact OD1-OG1 3.41Å |
| 1220 | Y | 91 | Very high | 73.7 | Confident | 51 Ų | 51 | 85.2 Ų | 85.2 | 20% | 0.2 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 166 | 169.7 | 60.2 | -79.8 | 0 | 0 | 0 | 111.4 | V1222 R1264 V1531 W1574 N1575 D1578 | Y1220-V1222 HydrophobicContact CD2-CG2 3.93Å; Y1220-V1222 HydrophobicContact CE2-CG2 3.89Å; Y1220-R1264 PolarHBondContact OH-NH2 3.4Å; Y1220-V1531 HydrophobicContact CD1-CB 4.31Å; Y1220-V1531 HydrophobicContact CD2-CB 4.33Å; Y1220-V1531 HydrophobicContact CE1-CB 3.92Å; Y1220-V1531 HydrophobicContact CE1-CG1 3.78Å; Y1220-V1531 HydrophobicContact CE2-CB 3.94Å; Y1220-V1531 HydrophobicContact CE2-CG1 4.38Å; Y1220-V1531 HydrophobicContact CE2-CG2 3.98Å; Y1220-V1531 HydrophobicContact CG-CB 4.5Å; Y1220-V1531 PolarHBondContact N-O 2.97Å; Y1220-V1531 PolarHBondContact O-N 2.88Å; Y1220-W1574 WeakPolarHBondContact OH-CB 3.39Å; Y1220-N1575 HydrophobicContact CD2-CB 4.44Å; Y1220-N1575 HydrophobicContact CE2-CB 4.24Å; Y1220-D1578 WeakPolarHBondContact CE2-OD2 3.5Å; Y1220-D1578 PolarHBondContact OH-OD2 3.17Å |
| 1221 | R | 87 | Confident | 72.5 | Confident | 148 Ų | 148 | 89.4 Ų | 89.4 | 56% | 0.558 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.3 | 178.8 | -147.9 | 179.9 | -152.7 | -163.8 | 8 | 109.9 | D1525 S1528 I1529 | R1221-D1525 IonicContact CZ-OD2 2.73Å; R1221-D1525 IonicContact NH2-OD2 2.64Å; R1221-D1525 PolarHBondContact NH2-OD2 3.1Å; R1221-S1528 PolarHBondContact NE-OG 3.02Å; R1221-S1528 PolarHBondContact NH1-OG 3.21Å; R1221-S1528 PolarHBondContact NH2-OG 2.93Å; R1221-I1529 CarbonylContact C-O 3.6Å; R1221-I1529 VanDerWaalsContact CA-O 3.31Å; R1221-I1529 WeakPolarHBondContact CA-O 3.14Å; R1221-I1529 WeakPolarHBondContact CG-O 3.38Å |
| 1222 | V | 86.7 | Confident | 71.8 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.024 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.2 | 179.4 | -175 | 0 | 0 | 0 | 0 | 108 | Y1220 M1260 I1529 D1578 C1582 | Y1220-V1222 HydrophobicContact CD2-CG2 3.93Å; Y1220-V1222 HydrophobicContact CE2-CG2 3.89Å; V1222-M1260 HydrophobicContact CG2-CE 4.49Å; V1222-I1529 HydrophobicContact CB-CB 4.37Å; V1222-I1529 PolarHBondContact N-O 3.3Å; V1222-I1529 PolarHBondContact O-N 2.73Å; V1222-D1578 HydrophobicContact CG2-CB 3.92Å; V1222-C1582 WeakPolarHBondContact CG1-SG 3.45Å |
| 1223 | V | 83.6 | Confident | 70.8 | Confident | 99 Ų | 99 | 81.5 Ų | 81.5 | 60% | 0.6 | 43% | 0.426 | S | S | * | . | trans | -130.8 | 98.1 | 177.3 | -177.7 | 0 | 0 | 0 | 0 | 107 | S1225 | V1223-S1225 PolarHBondContact O-N 3.11Š| ||
| 1224 | P | 75.6 | Confident | 70.1 | Confident | 17 Ų | 17 | 75.7 Ų | 75.7 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | trans | -67 | 120.2 | 176.9 | 24.2 | -28.1 | 0 | 0 | 0 | 109.3 | G1226 A1253 V1256 C1582 | P1224-G1226 PolarHBondContact O-N 3.5Å; P1224-A1253 HydrophobicContact CG-CB 3.88Å; P1224-V1256 HydrophobicContact CB-CG2 4.1Å; P1224-V1256 HydrophobicContact CG-CB 4.43Å; P1224-V1256 HydrophobicContact CG-CG2 4.25Å; P1224-C1582 HydrophobicContact CB-CB 4.34Å | ||
| 1225 | S | 62.3 | Low | 68.8 | Low | 101 Ų | 101 | 72.2 Ų | 72.2 | 71% | 0.706 | 40% | 0.399 | S | S | * | . | trans | -75.8 | 76.8 | 177.3 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | V1223 Q1250 | V1223-S1225 PolarHBondContact O-N 3.11Å; S1225-Q1250 PolarHBondContact O-OE1 2.76Å | ||
| 1226 | G | 54.1 | Low | 67.1 | Low | 44 Ų | 44 | 73.5 Ų | 73.5 | 45% | 0.454 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -100.8 | 126.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1224 | P1224-G1226 PolarHBondContact O-N 3.5Š|
| 1227 | M | 51.7 | Low | 65.4 | Low | 68 Ų | 68 | 77.4 Ų | 77.4 | 34% | 0.335 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -72 | 152.4 | 161.4 | -158 | 170.6 | 79.2 | 0 | 0 | 109.5 | E1231 W1232 M1235 | M1227-E1231 HydrophobicContact CE-CB 3.87Å; M1227-E1231 HydrophobicContact CG-CB 3.73Å; M1227-E1231 HydrophobicContact CG-CG 4.4Å; M1227-E1231 WeakPolarHBondContact CG-OE2 3.28Å; M1227-E1231 HydrophobicContact SD-CB 4.16Å; M1227-W1232 HydrophobicContact CE-CB 4.24Å; M1227-W1232 HydrophobicContact CE-CE3 4.11Å; M1227-M1235 HydrophobicContact CE-CG 4.09Å; M1227-M1235 HydrophobicContact CE-SD 3.5Å; M1227-M1235 VanDerWaalsContact CE-SD 3.5Å; M1227-M1235 HydrophobicContact SD-SD 4.09Å |
| 1228 | S | 55.8 | Low | 63.1 | Low | 43 Ų | 43 | 79.7 Ų | 79.7 | 30% | 0.301 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 153.3 | -176.4 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | D1230 E1231 W1232 | S1228-D1230 PolarHBondContact O-N 2.74Å; S1228-E1231 WeakPolarHBondContact CB-OE2 3.07Å; S1228-E1231 PolarHBondContact N-OE2 2.98Å; S1228-E1231 PolarHBondContact O-N 2.69Å; S1228-E1231 WeakPolarHBondContact OG-CB 3.4Å; S1228-E1231 VanDerWaalsContact OG-CD 3.26Å; S1228-E1231 WeakPolarHBondContact OG-CG 3.42Å; S1228-E1231 PolarHBondContact OG-N 2.68Å; S1228-E1231 PolarHBondContact OG-OE2 2.76Å; S1228-W1232 WeakPolarHBondContact O-CB 3.21Å; S1228-W1232 PolarHBondContact O-N 3.19Å |
| 1229 | P | 53.1 | Low | 60.8 | Low | 67 Ų | 67 | 77.8 Ų | 77.8 | 44% | 0.435 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58 | -30.8 | 177.7 | -25.8 | 35.6 | 0 | 0 | 0 | 113.7 | A1233 T1252 | P1229-A1233 WeakPolarHBondContact O-CB 3.47Å; P1229-A1233 PolarHBondContact O-N 2.69Å; P1229-T1252 HydrophobicContact CG-CG2 4.48Å |
| 1230 | D | 53.5 | Low | 58.5 | Low | 134 Ų | 134 | 79.1 Ų | 79.1 | 72% | 0.717 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -78.1 | -41.8 | -179.4 | -56.5 | -43.6 | 0 | 0 | 0 | 111.7 | S1228 W1232 A1233 S1234 | S1228-D1230 PolarHBondContact O-N 2.74Å; D1230-W1232 VanDerWaalsContact C-N 3.3Å; D1230-W1232 PolarHBondContact O-N 3.37Å; D1230-A1233 PolarHBondContact O-N 2.89Å; D1230-S1234 PolarHBondContact O-N 3.06Å |
| 1231 | E | 55 | Low | 56.1 | Low | 99 Ų | 99 | 80.7 Ų | 80.7 | 46% | 0.463 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 169.5 | -74.6 | 165.6 | 128.8 | 0 | 0 | 110.9 | M1227 S1228 S1234 M1235 | M1227-E1231 HydrophobicContact CE-CB 3.87Å; M1227-E1231 HydrophobicContact CG-CB 3.73Å; M1227-E1231 HydrophobicContact CG-CG 4.4Å; M1227-E1231 WeakPolarHBondContact CG-OE2 3.28Å; M1227-E1231 HydrophobicContact SD-CB 4.16Å; S1228-E1231 WeakPolarHBondContact CB-OE2 3.07Å; S1228-E1231 PolarHBondContact N-OE2 2.98Å; S1228-E1231 PolarHBondContact O-N 2.69Å; S1228-E1231 WeakPolarHBondContact OG-CB 3.4Å; S1228-E1231 VanDerWaalsContact OG-CD 3.26Å; S1228-E1231 WeakPolarHBondContact OG-CG 3.42Å; S1228-E1231 PolarHBondContact OG-N 2.68Å; S1228-E1231 PolarHBondContact OG-OE2 2.76Å; E1231-S1234 WeakPolarHBondContact O-CB 3.31Å; E1231-S1234 PolarHBondContact O-N 2.78Å; E1231-S1234 VanDerWaalsContact O-N 3.13Å; E1231-S1234 PolarHBondContact O-OG 3.37Å; E1231-M1235 PolarHBondContact O-N 3.26Å |
| 1232 | W | 56.4 | Low | 53.7 | Low | 30 Ų | 30 | 77.8 Ų | 77.8 | 11% | 0.114 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.8 | -175.1 | -86.4 | 0 | 0 | 0 | 112.3 | M1227 S1228 D1230 S1234 M1235 N1236 N1247 R1248 R1249 Q1250 | M1227-W1232 HydrophobicContact CE-CB 4.24Å; M1227-W1232 HydrophobicContact CE-CE3 4.11Å; S1228-W1232 WeakPolarHBondContact O-CB 3.21Å; S1228-W1232 PolarHBondContact O-N 3.19Å; D1230-W1232 VanDerWaalsContact C-N 3.3Å; D1230-W1232 PolarHBondContact O-N 3.37Å; W1232-S1234 VanDerWaalsContact C-N 3.25Å; W1232-S1234 PolarHBondContact O-N 3.39Å; W1232-M1235 PolarHBondContact O-N 3.32Å; W1232-N1236 PolarHBondContact O-N 3.12Å; W1232-N1247 HydrophobicContact CH2-CB 3.55Å; W1232-N1247 HydrophobicContact CZ2-CB 4.03Å; W1232-N1247 VanDerWaalsContact CZ2-O 3.26Å; W1232-N1247 WeakPolarHBondContact CZ2-O 3.38Å; W1232-N1247 HydrophobicContact CZ3-CB 4.49Å; W1232-R1248 WeakPolarHBondContact CH2-O 3.36Å; W1232-R1248 WeakPolarHBondContact CZ2-O 3.5Å; W1232-R1249 HydrophobicContact CG-CG 4.38Å; W1232-Q1250 HydrophobicContact CZ3-CG 4.38Å |
| 1233 | A | 55 | Low | 51.4 | Low | 48 Ų | 48 | 78.4 Ų | 78.4 | 40% | 0.397 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.8 | -33.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1229 D1230 N1237 | P1229-A1233 WeakPolarHBondContact O-CB 3.47Å; P1229-A1233 PolarHBondContact O-N 2.69Å; D1230-A1233 PolarHBondContact O-N 2.89Å; A1233-N1237 PolarHBondContact O-N 2.86Å; A1233-N1237 PolarHBondContact O-ND2 3.48Å |
| 1234 | S | 53.6 | Low | 49.4 | Very low | 62 Ų | 62 | 75.1 Ų | 75.1 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 174.9 | 76.8 | 0 | 0 | 0 | 0 | 112.7 | D1230 E1231 W1232 N1236 N1237 | D1230-S1234 PolarHBondContact O-N 3.06Å; E1231-S1234 WeakPolarHBondContact O-CB 3.31Å; E1231-S1234 PolarHBondContact O-N 2.78Å; E1231-S1234 VanDerWaalsContact O-N 3.13Å; E1231-S1234 PolarHBondContact O-OG 3.37Å; W1232-S1234 VanDerWaalsContact C-N 3.25Å; W1232-S1234 PolarHBondContact O-N 3.39Å; S1234-N1236 VanDerWaalsContact C-N 3.31Å; S1234-N1236 PolarHBondContact O-N 2.97Å; S1234-N1237 PolarHBondContact O-N 2.8Å |
| 1235 | M | 50.2 | Low | 47.8 | Very low | 109 Ų | 109 | 78.3 Ų | 78.3 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 178.4 | -80.7 | -169.7 | 61.2 | 0 | 0 | 113.3 | M1227 E1231 W1232 N1237 | M1227-M1235 HydrophobicContact CE-CG 4.09Å; M1227-M1235 HydrophobicContact CE-SD 3.5Å; M1227-M1235 VanDerWaalsContact CE-SD 3.5Å; M1227-M1235 HydrophobicContact SD-SD 4.09Å; E1231-M1235 PolarHBondContact O-N 3.26Å; W1232-M1235 PolarHBondContact O-N 3.32Å; M1235-N1237 VanDerWaalsContact C-N 3.32Å; M1235-N1237 PolarHBondContact O-N 3Å |
| 1236 | N | 47.5 | Very low | 47.3 | Very low | 72 Ų | 72 | 74.2 Ų | 74.2 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -78 | -12.5 | 179.3 | -80.8 | 26.4 | 0 | 0 | 0 | 114.2 | W1232 S1234 | W1232-N1236 PolarHBondContact O-N 3.12Å; S1234-N1236 VanDerWaalsContact C-N 3.31Å; S1234-N1236 PolarHBondContact O-N 2.97Å |
| 1237 | N | 43.7 | Very low | 47.1 | Very low | 132 Ų | 132 | 75.7 Ų | 75.7 | 71% | 0.706 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -87.6 | -28.7 | 177.2 | -75 | -36.4 | 0 | 0 | 0 | 113 | A1233 S1234 M1235 C1239 | A1233-N1237 PolarHBondContact O-N 2.86Å; A1233-N1237 PolarHBondContact O-ND2 3.48Å; S1234-N1237 PolarHBondContact O-N 2.8Å; M1235-N1237 VanDerWaalsContact C-N 3.32Å; M1235-N1237 PolarHBondContact O-N 3Å; N1237-C1239 PolarHBondContact O-N 3.27Å |
| 1238 | D | 39.2 | Very low | 47.5 | Very low | 142 Ų | 142 | 74.7 Ų | 74.7 | 76% | 0.759 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -99.8 | 60.7 | -175.1 | -74.9 | -24.4 | 0 | 0 | 0 | 112.2 | ||
| 1239 | C | 35.5 | Very low | 48.1 | Very low | 66 Ų | 66 | 77.3 Ų | 77.3 | 45% | 0.446 | 43% | 0.433 | S | S | . | . | trans | -141.7 | 133.1 | 178.6 | -98 | 0 | 0 | 0 | 0 | 116.8 | N1237 A1244 | N1237-C1239 PolarHBondContact O-N 3.27Å; C1239-A1244 HydrophobicContact CB-CB 4.28Å; C1239-A1244 WeakPolarHBondContact SG-CB 3.45Å | ||
| 1240 | S | 38 | Very low | 48.9 | Very low | 125 Ų | 125 | 77.8 Ų | 77.8 | 87% | 0.874 | 43% | 0.43 | S | S | * | . | trans | -129.6 | 7.6 | 163 | 49 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1241 | E | 39.6 | Very low | 50.1 | Low | 84 Ų | 84 | 72.1 Ų | 72.1 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -93.4 | 130.3 | 178.7 | -65 | -168.2 | 144.5 | 0 | 0 | 110.9 | G1243 P2109 K2110 | E1241-G1243 PolarHBondContact O-N 2.98Å; E1241-P2109 HydrophobicContact CB-CB 4.01Å; E1241-P2109 HydrophobicContact CG-CB 3.84Å; E1241-P2109 WeakPolarHBondContact OE1-CA 3.39Å; E1241-P2109 WeakPolarHBondContact OE1-CB 3.37Å; E1241-K2110 PolarHBondContact OE1-N 3.42Å |
| 1242 | P | 36.7 | Very low | 51.4 | Low | 87 Ų | 87 | 69.8 Ų | 69.8 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 124.4 | 177.7 | 27.6 | -33.2 | 0 | 0 | 0 | 110.7 | P1840 | P1242-P1840 HydrophobicContact CB-CB 4.22Å; P1242-P1840 HydrophobicContact CB-CG 3.89Å |
| 1243 | G | 39.8 | Very low | 52.8 | Low | 18 Ų | 18 | 69 Ų | 69 | 19% | 0.186 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 130.4 | -36.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1241 L1245 Y1246 W2118 | E1241-G1243 PolarHBondContact O-N 2.98Å; G1243-L1245 PolarHBondContact O-N 3.04Å; G1243-Y1246 WeakPolarHBondContact O-CD2 3.34Å; G1243-Y1246 PolarHBondContact O-N 2.98Å; G1243-Y1246 VanDerWaalsContact O-N 3.16Å; G1243-W2118 WeakPolarHBondContact O-CZ3 3.26Å |
| 1244 | A | 40.2 | Very low | 54.3 | Low | 30 Ų | 30 | 75.1 Ų | 75.1 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -57.4 | -29.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C1239 Y1246 | C1239-A1244 HydrophobicContact CB-CB 4.28Å; C1239-A1244 WeakPolarHBondContact SG-CB 3.45Å; A1244-Y1246 PolarHBondContact O-N 2.92Å |
| 1245 | L | 44 | Very low | 55.9 | Low | 83 Ų | 83 | 74.8 Ų | 74.8 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -76.3 | -9.4 | -177.7 | -82.5 | 136.1 | 0 | 0 | 0 | 115.8 | G1243 N1247 D1837 | G1243-L1245 PolarHBondContact O-N 3.04Å; L1245-N1247 PolarHBondContact O-N 3.45Å; L1245-D1837 HydrophobicContact CD2-CB 3.99Å |
| 1246 | Y | 50.9 | Low | 57.8 | Low | 15 Ų | 15 | 69.6 Ų | 69.6 | 6% | 0.059 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -73.6 | -3.8 | 175.7 | -63.1 | -55.8 | 0 | 0 | 0 | 114.3 | G1243 A1244 A1838 F2122 | G1243-Y1246 WeakPolarHBondContact O-CD2 3.34Å; G1243-Y1246 PolarHBondContact O-N 2.98Å; G1243-Y1246 VanDerWaalsContact O-N 3.16Å; A1244-Y1246 PolarHBondContact O-N 2.92Å; Y1246-A1838 HydrophobicContact CD1-CB 4.42Å; Y1246-A1838 HydrophobicContact CE1-CB 4.1Å; Y1246-A1838 WeakPolarHBondContact CE1-O 3.34Å; Y1246-A1838 PolarHBondContact OH-O 2.86Å; Y1246-F2122 HydrophobicContact CD1-CD2 4.26Å; Y1246-F2122 AromaticContact CE1-CD2 3.71Å; Y1246-F2122 HydrophobicContact CE1-CD2 3.71Å; Y1246-F2122 AromaticContact CE1-CE2 3.96Å; Y1246-F2122 HydrophobicContact CE1-CE2 3.96Å; Y1246-F2122 HydrophobicContact CE2-CD2 4.12Å; Y1246-F2122 AromaticContact CZ-CD2 3.66Å; Y1246-F2122 AromaticContact CZ-CE2 3.87Å |
| 1247 | N | 49.9 | Very low | 59.9 | Low | 75 Ų | 75 | 66.9 Ų | 66.9 | 40% | 0.401 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 121 | 179.7 | -124.9 | -21.9 | 0 | 0 | 0 | 109 | W1232 L1245 | W1232-N1247 HydrophobicContact CH2-CB 3.55Å; W1232-N1247 HydrophobicContact CZ2-CB 4.03Å; W1232-N1247 VanDerWaalsContact CZ2-O 3.26Å; W1232-N1247 WeakPolarHBondContact CZ2-O 3.38Å; W1232-N1247 HydrophobicContact CZ3-CB 4.49Å; L1245-N1247 PolarHBondContact O-N 3.45Å |
| 1248 | R | 60.5 | Low | 62.1 | Low | 47 Ų | 47 | 65 Ų | 65 | 18% | 0.177 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 143.3 | 173.8 | -65.6 | -162.8 | -163 | 172 | 15.4 | 111.6 | W1232 Q1250 E2125 L2263 D2265 | W1232-R1248 WeakPolarHBondContact CH2-O 3.36Å; W1232-R1248 WeakPolarHBondContact CZ2-O 3.5Å; R1248-Q1250 PolarHBondContact O-N 2.97Å; R1248-E2125 IonicContact CZ-OE1 3.96Å; R1248-E2125 IonicContact NE-OE1 2.81Å; R1248-E2125 PolarHBondContact NE-OE1 2.94Å; R1248-E2125 IonicContact NH2-OE1 3.27Å; R1248-E2125 PolarHBondContact NH2-OE1 3.09Å; R1248-L2263 PolarHBondContact NH2-O 3.28Å; R1248-D2265 IonicContact CZ-OD2 3.67Å; R1248-D2265 IonicContact NE-OD2 2.68Å; R1248-D2265 VanDerWaalsContact NH1-CB 3.32Å; R1248-D2265 IonicContact NH1-OD2 3.27Å; R1248-D2265 PolarHBondContact NH1-OD2 2.91Å |
| 1249 | R | 68.1 | Low | 64.5 | Low | 99 Ų | 99 | 58.9 Ų | 58.9 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 122.4 | -179.7 | -164.1 | -158 | 103.6 | -174 | 4.6 | 111.3 | W1232 E1255 R1584 | W1232-R1249 HydrophobicContact CG-CG 4.38Å; R1249-E1255 IonicContact CZ-OE1 3.89Å; R1249-E1255 IonicContact NH2-OE1 3.04Å; R1249-E1255 PolarHBondContact NH2-OE1 2.75Å; R1249-E1255 IonicContact NH2-OE2 3.87Å; R1249-E1255 PolarHBondContact NH2-OE2 2.77Å; R1249-R1584 PolarHBondContact O-NH1 3.02Å; R1249-R1584 PolarHBondContact O-NH2 3.46Å |
| 1250 | Q | 70.3 | Confident | 67.1 | Low | 77 Ų | 77 | 55.7 Ų | 55.7 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 157.7 | 176.6 | -66.8 | 173.3 | -15.9 | 0 | 0 | 112.1 | S1225 W1232 R1248 | S1225-Q1250 PolarHBondContact O-OE1 2.76Å; W1232-Q1250 HydrophobicContact CZ3-CG 4.38Å; R1248-Q1250 PolarHBondContact O-N 2.97Å |
| 1251 | L | 77.5 | Confident | 69.7 | Low | 15 Ų | 15 | 50.4 Ų | 50.4 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 136.6 | 176.5 | -68.9 | 167.1 | 0 | 0 | 0 | 110.5 | E1255 V1256 L1581 R1584 W2277 | L1251-E1255 HydrophobicContact CD2-CB 4.15Å; L1251-V1256 HydrophobicContact CB-CG2 3.66Å; L1251-V1256 HydrophobicContact CD1-CG2 4.4Å; L1251-L1581 WeakPolarHBondContact CD1-O 3.48Å; L1251-R1584 HydrophobicContact CD1-CG 3.93Å; L1251-R1584 HydrophobicContact CG-CG 4.49Å; L1251-W2277 HydrophobicContact CD1-CH2 3.93Å; L1251-W2277 HydrophobicContact CD1-CZ3 4.14Å |
| 1252 | T | 83 | Confident | 72 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 31% | 0.307 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -74 | 156.2 | 173.7 | 63 | 0 | 0 | 0 | 0 | 111.2 | P1229 R1254 E1255 V1256 | P1229-T1252 HydrophobicContact CG-CG2 4.48Å; T1252-R1254 PolarHBondContact O-N 2.97Å; T1252-R1254 VanDerWaalsContact O-N 3.09Å; T1252-E1255 WeakPolarHBondContact CB-OE2 3.02Å; T1252-E1255 WeakPolarHBondContact CG2-OE2 3.39Å; T1252-E1255 PolarHBondContact N-OE2 3.13Å; T1252-E1255 PolarHBondContact O-N 3.19Å; T1252-E1255 VanDerWaalsContact OG1-CD 3.23Å; T1252-E1255 VanDerWaalsContact OG1-CG 3.31Å; T1252-E1255 WeakPolarHBondContact OG1-CG 3.36Å; T1252-E1255 PolarHBondContact OG1-N 2.83Å; T1252-E1255 PolarHBondContact OG1-OE2 2.98Å; T1252-V1256 WeakPolarHBondContact O-CG2 3.39Å; T1252-V1256 PolarHBondContact O-N 3.05Å |
| 1253 | A | 86.4 | Confident | 74.5 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 12% | 0.116 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.1 | -31.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1224 F1257 L1524 | P1224-A1253 HydrophobicContact CG-CB 3.88Å; A1253-F1257 VanDerWaalsContact O-CB 3.29Å; A1253-F1257 WeakPolarHBondContact O-CB 3.44Å; A1253-F1257 PolarHBondContact O-N 2.74Å; A1253-L1524 HydrophobicContact CB-CD1 4.36Å |
| 1254 | R | 86.5 | Confident | 76.8 | Confident | 175 Ų | 175 | 41.9 Ų | 41.9 | 66% | 0.66 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -70.9 | -41.2 | 175.6 | -174.7 | 174.6 | -179.5 | 162.3 | 0.7 | 112.9 | T1252 F1257 Q1258 L1524 | T1252-R1254 PolarHBondContact O-N 2.97Å; T1252-R1254 VanDerWaalsContact O-N 3.09Å; R1254-F1257 PolarHBondContact O-N 3.02Å; R1254-Q1258 WeakPolarHBondContact O-CG 3.02Å; R1254-Q1258 PolarHBondContact O-N 2.98Å; R1254-L1524 HydrophobicContact CB-CD2 4.5Å |
| 1255 | E | 86.8 | Confident | 79 | Confident | 55 Ų | 55 | 40.5 Ų | 40.5 | 26% | 0.257 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.4 | -44.4 | 175.9 | -70.1 | 161.2 | 142.3 | 0 | 0 | 110.4 | R1249 L1251 T1252 F1257 Q1258 E1259 | R1249-E1255 IonicContact CZ-OE1 3.89Å; R1249-E1255 IonicContact NH2-OE1 3.04Å; R1249-E1255 PolarHBondContact NH2-OE1 2.75Å; R1249-E1255 IonicContact NH2-OE2 3.87Å; R1249-E1255 PolarHBondContact NH2-OE2 2.77Å; L1251-E1255 HydrophobicContact CD2-CB 4.15Å; T1252-E1255 WeakPolarHBondContact CB-OE2 3.02Å; T1252-E1255 WeakPolarHBondContact CG2-OE2 3.39Å; T1252-E1255 PolarHBondContact N-OE2 3.13Å; T1252-E1255 PolarHBondContact O-N 3.19Å; T1252-E1255 VanDerWaalsContact OG1-CD 3.23Å; T1252-E1255 VanDerWaalsContact OG1-CG 3.31Å; T1252-E1255 WeakPolarHBondContact OG1-CG 3.36Å; T1252-E1255 PolarHBondContact OG1-N 2.83Å; T1252-E1255 PolarHBondContact OG1-OE2 2.98Å; E1255-F1257 PolarHBondContact O-N 3.47Å; E1255-Q1258 PolarHBondContact O-N 2.62Å; E1255-E1259 VanDerWaalsContact O-CB 3.3Å; E1255-E1259 WeakPolarHBondContact O-CB 3.38Å; E1255-E1259 PolarHBondContact O-N 3.35Å |
| 1256 | V | 89.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60 | -43.3 | 174.4 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | P1224 L1251 T1252 Q1258 E1259 M1260 I1529 | P1224-V1256 HydrophobicContact CB-CG2 4.1Å; P1224-V1256 HydrophobicContact CG-CB 4.43Å; P1224-V1256 HydrophobicContact CG-CG2 4.25Å; L1251-V1256 HydrophobicContact CB-CG2 3.66Å; L1251-V1256 HydrophobicContact CD1-CG2 4.4Å; T1252-V1256 WeakPolarHBondContact O-CG2 3.39Å; T1252-V1256 PolarHBondContact O-N 3.05Å; V1256-Q1258 PolarHBondContact O-N 3.38Å; V1256-E1259 PolarHBondContact O-N 2.98Å; V1256-M1260 HydrophobicContact CG1-CG 4.21Å; V1256-M1260 HydrophobicContact CG1-SD 3.82Å; V1256-M1260 WeakPolarHBondContact O-CB 3.44Å; V1256-M1260 WeakPolarHBondContact O-CG 3.4Å; V1256-M1260 PolarHBondContact O-N 3.4Å; V1256-I1529 HydrophobicContact CB-CD1 3.99Å; V1256-I1529 HydrophobicContact CG1-CD1 3.68Å |
| 1257 | F | 91.8 | Very high | 82.3 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 7% | 0.066 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 175.4 | 169.3 | -97.6 | 0 | 0 | 0 | 112.9 | A1253 R1254 E1255 V1261 T1509 R1511 I1522 L1524 I1529 | A1253-F1257 VanDerWaalsContact O-CB 3.29Å; A1253-F1257 WeakPolarHBondContact O-CB 3.44Å; A1253-F1257 PolarHBondContact O-N 2.74Å; R1254-F1257 PolarHBondContact O-N 3.02Å; E1255-F1257 PolarHBondContact O-N 3.47Å; F1257-V1261 HydrophobicContact CZ-CG2 4.5Å; F1257-V1261 WeakPolarHBondContact O-CG2 3.24Å; F1257-V1261 PolarHBondContact O-N 3.15Å; F1257-T1509 WeakPolarHBondContact CE2-O 3.46Å; F1257-T1509 WeakPolarHBondContact CZ-O 3.4Å; F1257-R1511 HydrophobicContact CZ-CG 4.13Å; F1257-I1522 HydrophobicContact CD2-CG2 3.83Å; F1257-I1522 HydrophobicContact CE2-CB 4.39Å; F1257-I1522 HydrophobicContact CE2-CG2 3.79Å; F1257-L1524 HydrophobicContact CB-CD1 4.28Å; F1257-L1524 HydrophobicContact CB-CD2 4.34Å; F1257-L1524 HydrophobicContact CD1-CB 4.39Å; F1257-L1524 HydrophobicContact CD1-CD2 4.27Å; F1257-L1524 HydrophobicContact CD2-CB 3.78Å; F1257-L1524 HydrophobicContact CE2-CB 3.99Å; F1257-L1524 HydrophobicContact CG-CB 3.99Å; F1257-L1524 HydrophobicContact CG-CD2 4.26Å; F1257-L1524 HydrophobicContact CZ-CB 4.39Å; F1257-I1529 HydrophobicContact CB-CD1 3.97Å; F1257-I1529 HydrophobicContact CB-CG1 4.27Å; F1257-I1529 HydrophobicContact CD2-CG2 4.34Å |
| 1258 | Q | 89.4 | Confident | 83.7 | Confident | 93 Ų | 93 | 33.4 Ų | 33.4 | 44% | 0.435 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 176.1 | -74.3 | 176.5 | -40.5 | 0 | 0 | 111.3 | R1254 E1255 V1256 V1261 L1262 | R1254-Q1258 WeakPolarHBondContact O-CG 3.02Å; R1254-Q1258 PolarHBondContact O-N 2.98Å; E1255-Q1258 PolarHBondContact O-N 2.62Å; V1256-Q1258 PolarHBondContact O-N 3.38Å; Q1258-V1261 PolarHBondContact O-N 3.16Å; Q1258-L1262 WeakPolarHBondContact O-CG 3.21Å; Q1258-L1262 PolarHBondContact O-N 3.18Å |
| 1259 | E | 89.3 | Confident | 84.8 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 179.4 | -172.9 | 52.4 | -131.7 | 0 | 0 | 111.8 | R113 E1255 V1256 V1261 L1262 Q1263 L1581 V2300 | R113-E1259 IonicContact CZ-OE1 2.89Å; R113-E1259 IonicContact CZ-OE2 3.27Å; R113-E1259 IonicContact NH1-OE1 2.71Å; R113-E1259 PolarHBondContact NH1-OE1 3.08Å; R113-E1259 IonicContact NH1-OE2 3.9Å; R113-E1259 PolarHBondContact NH1-OE2 3.04Å; R113-E1259 IonicContact NH2-OE2 3.56Å; R113-E1259 PolarHBondContact NH2-OE2 2.87Å; E1255-E1259 VanDerWaalsContact O-CB 3.3Å; E1255-E1259 WeakPolarHBondContact O-CB 3.38Å; E1255-E1259 PolarHBondContact O-N 3.35Å; V1256-E1259 PolarHBondContact O-N 2.98Å; E1259-V1261 VanDerWaalsContact C-N 3.32Å; E1259-V1261 PolarHBondContact O-N 3.14Å; E1259-L1262 CarbonylContact O-C 3.58Å; E1259-L1262 PolarHBondContact O-N 3.4Å; E1259-L1262 VanDerWaalsContact O-N 3.16Å; E1259-Q1263 WeakPolarHBondContact O-CG 3.38Å; E1259-Q1263 PolarHBondContact O-N 2.79Å; E1259-Q1263 VanDerWaalsContact OE1-CG 3.32Å; E1259-Q1263 WeakPolarHBondContact OE1-CG 3.31Å; E1259-Q1263 PolarHBondContact OE1-NE2 3.46Å; E1259-L1581 HydrophobicContact CG-CD1 4.38Å; E1259-L1581 HydrophobicContact CG-CD2 3.95Å; E1259-V2300 HydrophobicContact CG-CG1 4.18Å; E1259-V2300 HydrophobicContact CG-CG2 4.32Å; E1259-V2300 WeakPolarHBondContact OE1-CG1 3.48Å; E1259-V2300 WeakPolarHBondContact OE1-CG2 3.37Å; E1259-V2300 WeakPolarHBondContact OE2-CG1 3.42Å |
| 1260 | M | 91.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.2 | -45 | 174.2 | -77.4 | 173.9 | 57.7 | 0 | 0 | 111.9 | V1222 V1256 Q1263 R1264 I1522 I1529 V1531 D1578 L1581 | V1222-M1260 HydrophobicContact CG2-CE 4.49Å; V1256-M1260 HydrophobicContact CG1-CG 4.21Å; V1256-M1260 HydrophobicContact CG1-SD 3.82Å; V1256-M1260 WeakPolarHBondContact O-CB 3.44Å; V1256-M1260 WeakPolarHBondContact O-CG 3.4Å; V1256-M1260 PolarHBondContact O-N 3.4Å; M1260-Q1263 PolarHBondContact O-N 2.83Å; M1260-R1264 WeakPolarHBondContact O-CD 3.43Å; M1260-R1264 PolarHBondContact O-N 2.69Å; M1260-R1264 VanDerWaalsContact O-N 3.15Å; M1260-R1264 PolarHBondContact O-NH1 3.07Å; M1260-I1522 HydrophobicContact CE-CG2 4.3Å; M1260-I1529 HydrophobicContact CE-CG2 3.67Å; M1260-I1529 HydrophobicContact SD-CD1 3.8Å; M1260-I1529 HydrophobicContact SD-CG2 3.97Å; M1260-V1531 HydrophobicContact CE-CG2 3.4Å; M1260-D1578 HydrophobicContact CE-CB 4.25Å; M1260-D1578 VanDerWaalsContact CE-OD2 3.22Å; M1260-D1578 WeakPolarHBondContact CE-OD2 3.36Å; M1260-D1578 HydrophobicContact SD-CB 4.24Å; M1260-L1581 HydrophobicContact CG-CD1 4.05Å |
| 1261 | V | 91 | Very high | 86.4 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 175.6 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | F1257 Q1258 E1259 Q1263 R1264 I1265 L1271 R1511 L1513 I1522 | F1257-V1261 HydrophobicContact CZ-CG2 4.5Å; F1257-V1261 WeakPolarHBondContact O-CG2 3.24Å; F1257-V1261 PolarHBondContact O-N 3.15Å; Q1258-V1261 PolarHBondContact O-N 3.16Å; E1259-V1261 VanDerWaalsContact C-N 3.32Å; E1259-V1261 PolarHBondContact O-N 3.14Å; V1261-Q1263 VanDerWaalsContact C-N 3.29Å; V1261-Q1263 PolarHBondContact O-N 3.28Å; V1261-R1264 PolarHBondContact O-N 2.96Å; V1261-I1265 HydrophobicContact CG1-CD1 3.98Å; V1261-I1265 WeakPolarHBondContact O-CG1 3.46Å; V1261-I1265 PolarHBondContact O-N 3.25Å; V1261-I1265 VanDerWaalsContact O-N 3.12Å; V1261-L1271 HydrophobicContact CG1-CD2 4.43Å; V1261-R1511 HydrophobicContact CG2-CB 4.16Å; V1261-R1511 HydrophobicContact CG2-CG 4.15Å; V1261-L1513 HydrophobicContact CG1-CD1 4.45Å; V1261-I1522 HydrophobicContact CG2-CD1 4.11Å |
| 1262 | L | 89.3 | Confident | 86.7 | Confident | 11 Ų | 11 | 24.7 Ų | 24.7 | 6% | 0.058 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.2 | -36 | 176.7 | -73 | 172.5 | 0 | 0 | 0 | 112.2 | R113 C116 N117 Q1258 E1259 I1265 S1266 | R113-L1262 HydrophobicContact CG-CB 4.45Å; R113-L1262 HydrophobicContact CG-CD1 4.49Å; R113-L1262 HydrophobicContact CG-CD2 4.39Å; C116-L1262 HydrophobicContact CB-CD2 3.97Å; N117-L1262 WeakPolarHBondContact OD1-CD2 3.48Å; Q1258-L1262 WeakPolarHBondContact O-CG 3.21Å; Q1258-L1262 PolarHBondContact O-N 3.18Å; E1259-L1262 CarbonylContact O-C 3.58Å; E1259-L1262 PolarHBondContact O-N 3.4Å; E1259-L1262 VanDerWaalsContact O-N 3.16Å; L1262-I1265 PolarHBondContact O-N 3.3Å; L1262-S1266 WeakPolarHBondContact O-CB 2.98Å; L1262-S1266 PolarHBondContact O-N 2.85Å |
| 1263 | Q | 87.8 | Confident | 86 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72.7 | -31.7 | 176.9 | -69.9 | -54.8 | -32.3 | 0 | 0 | 113.9 | E1259 M1260 V1261 S1266 Q1267 L1581 L2299 | E1259-Q1263 WeakPolarHBondContact O-CG 3.38Å; E1259-Q1263 PolarHBondContact O-N 2.79Å; E1259-Q1263 VanDerWaalsContact OE1-CG 3.32Å; E1259-Q1263 WeakPolarHBondContact OE1-CG 3.31Å; E1259-Q1263 PolarHBondContact OE1-NE2 3.46Å; M1260-Q1263 PolarHBondContact O-N 2.83Å; V1261-Q1263 VanDerWaalsContact C-N 3.29Å; V1261-Q1263 PolarHBondContact O-N 3.28Å; Q1263-S1266 WeakPolarHBondContact CA-OG 3.15Å; Q1263-S1266 PolarHBondContact O-N 3.42Å; Q1263-S1266 PolarHBondContact O-OG 2.72Å; Q1263-S1266 PolarHBondContact OE1-OG 3.08Å; Q1263-Q1267 WeakPolarHBondContact O-CB 3.34Å; Q1263-Q1267 WeakPolarHBondContact O-CG 3.23Å; Q1263-Q1267 PolarHBondContact O-N 2.9Å; Q1263-L1581 HydrophobicContact CB-CD1 4.37Å; Q1263-L1581 HydrophobicContact CG-CD1 3.97Å; Q1263-L1581 HydrophobicContact CG-CD2 4.2Å; Q1263-L2299 PolarHBondContact NE2-O 2.82Å |
| 1264 | R | 88.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 168.6 | -84.5 | 74.6 | 179.4 | 162.2 | -0.1 | 109.8 | Y1220 M1260 V1261 S1266 Q1267 G1268 F1269 L1513 I1522 W1574 D1578 | Y1220-R1264 PolarHBondContact OH-NH2 3.4Å; M1260-R1264 WeakPolarHBondContact O-CD 3.43Å; M1260-R1264 PolarHBondContact O-N 2.69Å; M1260-R1264 VanDerWaalsContact O-N 3.15Å; M1260-R1264 PolarHBondContact O-NH1 3.07Å; V1261-R1264 PolarHBondContact O-N 2.96Å; R1264-S1266 VanDerWaalsContact C-N 3.31Å; R1264-S1266 PolarHBondContact O-N 2.9Å; R1264-Q1267 PolarHBondContact O-N 3.26Å; R1264-G1268 PolarHBondContact O-N 2.64Å; R1264-F1269 HydrophobicContact CB-CB 4.03Å; R1264-F1269 HydrophobicContact CB-CD1 4.47Å; R1264-F1269 HydrophobicContact CB-CD2 3.92Å; R1264-F1269 HydrophobicContact CB-CG 3.9Å; R1264-F1269 HydrophobicContact CG-CD2 4.2Å; R1264-F1269 HydrophobicContact CG-CE2 4.29Å; R1264-F1269 HydrophobicContact CG-CG 4.34Å; R1264-F1269 VanDerWaalsContact O-CB 3.31Å; R1264-F1269 WeakPolarHBondContact O-CB 3.46Å; R1264-F1269 VanDerWaalsContact O-CD2 3.23Å; R1264-F1269 WeakPolarHBondContact O-CD2 3.41Å; R1264-F1269 PolarHBondContact O-N 3.23Å; R1264-L1513 HydrophobicContact CB-CD1 3.83Å; R1264-L1513 HydrophobicContact CG-CD1 4.12Å; R1264-I1522 HydrophobicContact CG-CD1 4.44Å; R1264-W1574 HydrophobicContact CG-CE3 4.44Å; R1264-W1574 HydrophobicContact CG-CH2 4.17Å; R1264-W1574 HydrophobicContact CG-CZ3 3.86Å; R1264-D1578 IonicContact CZ-OD1 3.76Å; R1264-D1578 VanDerWaalsContact CZ-OD1 3.27Å; R1264-D1578 IonicContact CZ-OD2 3.03Å; R1264-D1578 IonicContact NH1-OD1 2.79Å; R1264-D1578 PolarHBondContact NH1-OD1 2.82Å; R1264-D1578 IonicContact NH1-OD2 3.93Å; R1264-D1578 IonicContact NH2-OD1 3.59Å; R1264-D1578 PolarHBondContact NH2-OD1 3.08Å; R1264-D1578 IonicContact NH2-OD2 2.79Å; R1264-D1578 PolarHBondContact NH2-OD2 3.45Å |
| 1265 | I | 87.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 178.5 | -65.5 | 167.4 | 0 | 0 | 0 | 111 | R112 C116 V1199 V1261 L1262 Q1267 G1268 L1271 L1513 | R112-I1265 HydrophobicContact CB-CG2 3.85Å; R112-I1265 VanDerWaalsContact CB-O 3.3Å; R112-I1265 WeakPolarHBondContact CB-O 3.47Å; R112-I1265 WeakPolarHBondContact CD-O 3.47Å; C116-I1265 HydrophobicContact CB-CD1 4.37Å; C116-I1265 HydrophobicContact CB-CG2 4.33Å; V1199-I1265 HydrophobicContact CG1-CD1 4.42Å; V1199-I1265 HydrophobicContact CG1-CG2 3.94Å; V1261-I1265 HydrophobicContact CG1-CD1 3.98Å; V1261-I1265 WeakPolarHBondContact O-CG1 3.46Å; V1261-I1265 PolarHBondContact O-N 3.25Å; V1261-I1265 VanDerWaalsContact O-N 3.12Å; L1262-I1265 PolarHBondContact O-N 3.3Å; I1265-Q1267 PolarHBondContact O-N 3.02Å; I1265-G1268 PolarHBondContact O-N 2.96Å; I1265-G1268 VanDerWaalsContact O-N 3.17Å; I1265-L1271 HydrophobicContact CD1-CD1 3.73Å; I1265-L1271 HydrophobicContact CD1-CD2 4.35Å; I1265-L1271 HydrophobicContact CD1-CG 3.8Å; I1265-L1271 HydrophobicContact CG1-CG 4.42Å; I1265-L1513 HydrophobicContact CD1-CD2 4.4Å; I1265-L1513 HydrophobicContact CG1-CD2 3.9Å |
| 1266 | S | 82.7 | Confident | 80 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.6 | 84.7 | 0 | 0 | 0 | 0 | 112.3 | L1262 Q1263 R1264 G1268 W1599 | L1262-S1266 WeakPolarHBondContact O-CB 2.98Å; L1262-S1266 PolarHBondContact O-N 2.85Å; Q1263-S1266 WeakPolarHBondContact CA-OG 3.15Å; Q1263-S1266 PolarHBondContact O-N 3.42Å; Q1263-S1266 PolarHBondContact O-OG 2.72Å; Q1263-S1266 PolarHBondContact OE1-OG 3.08Å; R1264-S1266 VanDerWaalsContact C-N 3.31Å; R1264-S1266 PolarHBondContact O-N 2.9Å; S1266-G1268 PolarHBondContact O-N 2.85Å; S1266-W1599 WeakPolarHBondContact OG-CH2 3.13Å |
| 1267 | Q | 80.7 | Confident | 77 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 2.6 | 175.6 | -69.8 | -63.6 | -25.9 | 0 | 0 | 114.5 | Y327 Q1263 R1264 I1265 L1572 W1574 L1596 K1597 | Y327-Q1267 PolarHBondContact OH-OE1 3.41Å; Q1263-Q1267 WeakPolarHBondContact O-CB 3.34Å; Q1263-Q1267 WeakPolarHBondContact O-CG 3.23Å; Q1263-Q1267 PolarHBondContact O-N 2.9Å; R1264-Q1267 PolarHBondContact O-N 3.26Å; I1265-Q1267 PolarHBondContact O-N 3.02Å; Q1267-L1572 HydrophobicContact CB-CD1 4.32Å; Q1267-L1572 HydrophobicContact CG-CD1 4.4Å; Q1267-W1574 HydrophobicContact CB-CH2 4.04Å; Q1267-W1574 HydrophobicContact CG-CH2 4.35Å; Q1267-L1596 PolarHBondContact NE2-O 3.3Å; Q1267-K1597 PolarHBondContact NE2-O 3.35Å |
| 1268 | G | 78.9 | Confident | 73.9 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 7% | 0.072 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.1 | -0.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116 | R112 R1264 I1265 S1266 | R112-G1268 VanDerWaalsContact NH1-C 3.26Å; R112-G1268 PolarHBondContact NH1-O 3.02Å; R1264-G1268 PolarHBondContact O-N 2.64Å; I1265-G1268 PolarHBondContact O-N 2.96Å; I1265-G1268 VanDerWaalsContact O-N 3.17Å; S1266-G1268 PolarHBondContact O-N 2.85Å |
| 1269 | F | 84.5 | Confident | 70.8 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | trans | -67.7 | 158.7 | 174.5 | -70.3 | -115.2 | 0 | 0 | 0 | 111.8 | R1264 L1513 S1514 I1515 L1518 H1520 W1574 | R1264-F1269 HydrophobicContact CB-CB 4.03Å; R1264-F1269 HydrophobicContact CB-CD1 4.47Å; R1264-F1269 HydrophobicContact CB-CD2 3.92Å; R1264-F1269 HydrophobicContact CB-CG 3.9Å; R1264-F1269 HydrophobicContact CG-CD2 4.2Å; R1264-F1269 HydrophobicContact CG-CE2 4.29Å; R1264-F1269 HydrophobicContact CG-CG 4.34Å; R1264-F1269 VanDerWaalsContact O-CB 3.31Å; R1264-F1269 WeakPolarHBondContact O-CB 3.46Å; R1264-F1269 VanDerWaalsContact O-CD2 3.23Å; R1264-F1269 WeakPolarHBondContact O-CD2 3.41Å; R1264-F1269 PolarHBondContact O-N 3.23Å; F1269-L1513 HydrophobicContact CB-CB 4.37Å; F1269-L1513 HydrophobicContact CB-CD2 4.33Å; F1269-L1513 HydrophobicContact CD1-CB 3.88Å; F1269-S1514 CarbonylContact C-O 3.46Å; F1269-S1514 VanDerWaalsContact CA-O 3.22Å; F1269-S1514 WeakPolarHBondContact CA-O 3.2Å; F1269-I1515 HydrophobicContact CD1-CB 4.21Å; F1269-I1515 HydrophobicContact CD1-CG2 3.96Å; F1269-I1515 HydrophobicContact CD2-CB 4.18Å; F1269-I1515 HydrophobicContact CD2-CG2 3.86Å; F1269-I1515 HydrophobicContact CE1-CB 4.46Å; F1269-I1515 HydrophobicContact CE1-CG2 3.73Å; F1269-I1515 HydrophobicContact CE2-CB 4.41Å; F1269-I1515 HydrophobicContact CE2-CG2 3.6Å; F1269-I1515 HydrophobicContact CG-CB 4.08Å; F1269-I1515 HydrophobicContact CG-CG2 4.05Å; F1269-I1515 HydrophobicContact CZ-CG2 3.55Å; F1269-L1518 HydrophobicContact CE1-CD2 4.4Å; F1269-L1518 HydrophobicContact CE1-CG 4.22Å; F1269-L1518 HydrophobicContact CE2-CD2 4.36Å; F1269-L1518 HydrophobicContact CZ-CD2 3.62Å; F1269-L1518 HydrophobicContact CZ-CG 3.93Å; F1269-H1520 HydrophobicContact CD1-CB 4.45Å; F1269-H1520 HydrophobicContact CE1-CB 3.9Å; F1269-H1520 AromaticContact CE1-CD2 3.98Å; F1269-H1520 AromaticContact CE1-CE1 3.96Å; F1269-H1520 AromaticContact CE1-CG 3.51Å; F1269-H1520 AromaticContact CE1-ND1 3.48Å; F1269-H1520 WeakPolarHBondContact CE1-ND1 3.06Å; F1269-H1520 AromaticContact CZ-CE1 3.47Å; F1269-H1520 VanDerWaalsContact CZ-CE1 3.47Å; F1269-H1520 WeakPolarHBondContact CZ-CE1 3.04Å; F1269-H1520 AromaticContact CZ-CG 3.85Å; F1269-H1520 AromaticContact CZ-ND1 3.39Å; F1269-H1520 WeakPolarHBondContact CZ-ND1 3.42Å; F1269-H1520 AromaticContact CZ-NE2 3.95Å; F1269-W1574 HydrophobicContact CD2-CH2 4.28Å; F1269-W1574 AromaticContact CE2-CH2 3.55Å; F1269-W1574 HydrophobicContact CE2-CH2 3.55Å; F1269-W1574 AromaticContact CE2-CZ2 3.47Å; F1269-W1574 HydrophobicContact CE2-CZ2 3.47Å; F1269-W1574 VanDerWaalsContact CE2-CZ2 3.47Å; F1269-W1574 HydrophobicContact CZ-CH2 4.28Å; F1269-W1574 AromaticContact CZ-CZ2 3.9Å; F1269-W1574 HydrophobicContact CZ-CZ2 3.9Å | ||
| 1270 | Q | 85.3 | Confident | 67.9 | Low | 23 Ų | 23 | 41.3 Ų | 41.3 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 149.6 | 174 | -62.3 | 175.5 | 60.4 | 0 | 0 | 109.6 | V1199 T1201 D1202 C1272 L1513 S1514 | V1199-Q1270 CarbonylContact O-C 3.43Å; V1199-Q1270 VanDerWaalsContact O-CA 3.32Å; V1199-Q1270 WeakPolarHBondContact O-CA 3.48Å; T1201-Q1270 PolarHBondContact OG1-OE1 3.1Å; D1202-Q1270 HydrophobicContact CB-CB 3.85Å; D1202-Q1270 HydrophobicContact CB-CG 4.36Å; Q1270-C1272 PolarHBondContact O-N 3.25Å; Q1270-L1513 VanDerWaalsContact O-CA 3.29Å; Q1270-L1513 WeakPolarHBondContact O-CA 3.34Å; Q1270-S1514 PolarHBondContact N-O 3.46Å; Q1270-S1514 PolarHBondContact O-N 2.95Å |
| 1271 | L | 85.6 | Confident | 64.8 | Low | 16 Ų | 16 | 45.6 Ų | 45.6 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 107 | 176.8 | -82.2 | 166.3 | 0 | 0 | 0 | 110.5 | V1199 V1261 I1265 H1273 L1513 | V1199-L1271 HydrophobicContact CG1-CD1 4.24Å; V1199-L1271 PolarHBondContact O-N 2.75Å; V1261-L1271 HydrophobicContact CG1-CD2 4.43Å; I1265-L1271 HydrophobicContact CD1-CD1 3.73Å; I1265-L1271 HydrophobicContact CD1-CD2 4.35Å; I1265-L1271 HydrophobicContact CD1-CG 3.8Å; I1265-L1271 HydrophobicContact CG1-CG 4.42Å; L1271-H1273 PolarHBondContact O-N 3.15Å; L1271-H1273 VanDerWaalsContact O-N 3.15Å; L1271-H1273 PolarHBondContact O-ND1 2.84Å; L1271-L1513 HydrophobicContact CD2-CD2 3.68Å; L1271-L1513 HydrophobicContact CD2-CG 4.4Å; L1271-L1513 HydrophobicContact CG-CD2 4.03Å |
| 1272 | C | 83.3 | Confident | 62 | Low | 15 Ų | 15 | 49.7 Ų | 49.7 | 10% | 0.101 | 27% | 0.27 | C | S | . | . | trans | -72.7 | 105.5 | 172.1 | -55.1 | 0 | 0 | 0 | 0 | 109.5 | D1202 F1204 Q1270 K1512 S1514 | D1202-C1272 PolarHBondContact O-SG 2.76Å; D1202-C1272 VanDerWaalsContact O-SG 3.41Å; F1204-C1272 HydrophobicContact CB-CB 3.85Å; F1204-C1272 HydrophobicContact CD2-CB 4.29Å; Q1270-C1272 PolarHBondContact O-N 3.25Å; C1272-K1512 HydrophobicContact CB-CB 3.95Å; C1272-K1512 PolarHBondContact N-O 2.93Å; C1272-K1512 VanDerWaalsContact N-O 3.13Å; C1272-S1514 PolarHBondContact SG-OG 3.48Å | ||
| 1273 | H | 68.7 | Low | 59.2 | Low | 111 Ų | 111 | 52.9 Ų | 52.9 | 51% | 0.514 | 29% | 0.293 | S | S | . | . | trans | -82.9 | 127.8 | 173.1 | -69.6 | 75.8 | 0 | 0 | 0 | 109.4 | L1271 V1275 | L1271-H1273 PolarHBondContact O-N 3.15Å; L1271-H1273 VanDerWaalsContact O-N 3.15Å; L1271-H1273 PolarHBondContact O-ND1 2.84Å; H1273-V1275 PolarHBondContact O-N 2.76Å | ||
| 1274 | E | 55.3 | Low | 56.3 | Low | 137 Ų | 137 | 56.1 Ų | 56.1 | 64% | 0.64 | 31% | 0.31 | S | S | * | . | trans | -67.4 | 118.3 | 168.6 | -74.3 | -171 | 151.2 | 0 | 0 | 109 | V1276 K1512 | E1274-V1276 VanDerWaalsContact C-N 3.27Å; E1274-V1276 PolarHBondContact O-N 2.74Å; E1274-K1512 IonicContact OE1-NZ 2.69Å; E1274-K1512 PolarHBondContact OE1-NZ 3.43Å | ||
| 1275 | V | 44 | Very low | 53.3 | Low | 127 Ų | 127 | 62.6 Ų | 62.6 | 77% | 0.77 | 35% | 0.345 | S | S | * | . | trans | -67.6 | 94.6 | 165.5 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | H1273 V1277 | H1273-V1275 PolarHBondContact O-N 2.76Å; V1275-V1277 HydrophobicContact CG1-CG2 3.89Å; V1275-V1277 PolarHBondContact O-N 2.67Å | ||
| 1276 | V | 34 | Very low | 50.5 | Low | 102 Ų | 102 | 68.3 Ų | 68.3 | 62% | 0.618 | 38% | 0.38 | S | S | * | . | trans | -68.3 | 81.1 | 167.5 | -176.5 | 0 | 0 | 0 | 0 | 107.5 | E1274 H1278 | E1274-V1276 VanDerWaalsContact C-N 3.27Å; E1274-V1276 PolarHBondContact O-N 2.74Å; V1276-H1278 PolarHBondContact O-N 2.8Å | ||
| 1277 | V | 28.1 | Very low | 47.8 | Very low | 60 Ų | 60 | 75.2 Ų | 75.2 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | trans | -59.5 | 121 | 162.8 | -169.4 | 0 | 0 | 0 | 0 | 105.5 | I1102 V1275 N1279 | I1102-V1277 HydrophobicContact CB-CG1 4.42Å; I1102-V1277 HydrophobicContact CD1-CB 4.13Å; I1102-V1277 WeakPolarHBondContact CD1-O 3.44Å; I1102-V1277 HydrophobicContact CG1-CB 3.57Å; I1102-V1277 HydrophobicContact CG1-CG1 3.56Å; I1102-V1277 WeakPolarHBondContact CG1-O 3.07Å; V1275-V1277 HydrophobicContact CG1-CG2 3.89Å; V1275-V1277 PolarHBondContact O-N 2.67Å; V1277-N1279 PolarHBondContact O-N 3Å | ||
| 1278 | H | 26.9 | Very low | 45.4 | Very low | 150 Ų | 150 | 81.6 Ų | 81.6 | 69% | 0.694 | 44% | 0.441 | S | S | * | . | trans | -79.8 | 112.9 | -178.8 | -85.3 | -80.8 | 0 | 0 | 0 | 110.4 | V1276 | V1276-H1278 PolarHBondContact O-N 2.8Š| ||
| 1279 | N | 22.5 | Very low | 42.9 | Very low | 35 Ų | 35 | 88.5 Ų | 88.5 | 19% | 0.187 | 47% | 0.471 | C | S | . | . | trans | -76.7 | 129.3 | 150.5 | -137.1 | 10.3 | 0 | 0 | 0 | 107.1 | Y1100 I1102 V1277 | Y1100-N1279 WeakPolarHBondContact CD1-OD1 3.23Å; I1102-N1279 HydrophobicContact CB-CB 3.52Å; I1102-N1279 WeakPolarHBondContact CB-OD1 3.18Å; I1102-N1279 HydrophobicContact CD1-CB 4.2Å; I1102-N1279 HydrophobicContact CG1-CB 4.32Å; I1102-N1279 HydrophobicContact CG2-CB 3.57Å; I1102-N1279 VanDerWaalsContact CG2-ND2 3.33Å; I1102-N1279 WeakPolarHBondContact CG2-ND2 3.18Å; I1102-N1279 WeakPolarHBondContact CG2-OD1 3.34Å; I1102-N1279 PolarHBondContact N-OD1 3.32Å; V1277-N1279 PolarHBondContact O-N 3Å | ||
| 1280 | P | 28.3 | Very low | 39.9 | Very low | 41 Ų | 41 | 92.9 Ų | 92.9 | 27% | 0.266 | 50% | 0.502 | S | S | . | . | trans | -58.2 | 150.3 | 148.3 | -14.5 | 29.4 | 0 | 0 | 0 | 109 | Y1100 N1492 | Y1100-P1280 HydrophobicContact CD1-CB 4.22Å; Y1100-P1280 HydrophobicContact CD1-CG 4.03Å; Y1100-P1280 HydrophobicContact CD2-CB 4.21Å; Y1100-P1280 HydrophobicContact CD2-CG 4.21Å; Y1100-P1280 HydrophobicContact CE1-CB 4.02Å; Y1100-P1280 HydrophobicContact CE1-CG 4.34Å; Y1100-P1280 WeakPolarHBondContact CE1-O 3.28Å; Y1100-P1280 HydrophobicContact CE2-CB 4Å; Y1100-P1280 HydrophobicContact CE2-CG 4.5Å; Y1100-P1280 HydrophobicContact CG-CB 4.31Å; Y1100-P1280 HydrophobicContact CG-CG 3.96Å; Y1100-P1280 PolarHBondContact OH-O 3Å; P1280-N1492 PolarHBondContact O-ND2 3.01Å | ||
| 1281 | T | 27.6 | Very low | 37 | Very low | 91 Ų | 91 | 97.7 Ų | 97.7 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | trans | -129.5 | 80.4 | 169.5 | 52.4 | 0 | 0 | 0 | 0 | 109.1 | S1493 S1494 | T1281-S1493 PolarHBondContact O-OG 3.23Å; T1281-S1494 PolarHBondContact O-OG 3.11Å | ||
| 1282 | N | 31.8 | Very low | 34 | Very low | 99 Ų | 99 | 103.4 Ų | 103.4 | 53% | 0.529 | 57% | 0.568 | S | S | . | * | trans | -105.9 | 162.5 | -169 | -155.5 | 62 | 0 | 0 | 0 | 114.9 | Y1100 S1493 | Y1100-N1282 HydrophobicContact CE2-CB 4.14Å; Y1100-N1282 PolarHBondContact OH-N 2.88Å; N1282-S1493 PolarHBondContact N-OG 2.89Å; N1282-S1493 VanDerWaalsContact N-OG 3.16Å; N1282-S1493 PolarHBondContact O-N 2.77Å; N1282-S1493 VanDerWaalsContact O-N 3.15Å; N1282-S1493 PolarHBondContact O-OG 3.5Å | ||
| 1283 | S | 30.9 | Very low | 31.4 | Very low | 77 Ų | 77 | 108 Ų | 108 | 54% | 0.538 | 60% | 0.6 | S | S | . | * | trans | -80.2 | 160.5 | -163.3 | 50.1 | 0 | 0 | 0 | 0 | 117.7 | S1493 | S1283-S1493 VanDerWaalsContact CA-O 3.31Å; S1283-S1493 WeakPolarHBondContact CA-O 3.48Å | ||
| 1284 | N | 27 | Very low | 29.3 | Very low | 69 Ų | 69 | 110.6 Ų | 110.6 | 37% | 0.369 | 62% | 0.616 | S | S | . | * | cis | -169.8 | 174.3 | -20.9 | -170.1 | 26 | 0 | 0 | 0 | 111.9 | S1493 S1494 L1495 | N1284-S1493 VanDerWaalsContact CA-O 3.27Å; N1284-S1493 WeakPolarHBondContact CA-O 3.22Å; N1284-S1493 PolarHBondContact OD1-O 3.4Å; N1284-S1494 WeakPolarHBondContact CB-O 3.21Å; N1284-S1494 PolarHBondContact ND2-O 3.26Å; N1284-S1494 PolarHBondContact OD1-O 3.29Å; N1284-L1495 PolarHBondContact ND2-O 3.23Å; N1284-L1495 PolarHBondContact OD1-N 3.41Å | ||
| 1285 | N | 26.7 | Very low | 28 | Very low | 135 Ų | 135 | 111 Ų | 111 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | trans | -46.9 | 167.4 | 153.4 | -64.2 | -14.3 | 0 | 0 | 0 | 115.8 | ||||
| 1286 | V | 28.7 | Very low | 27.3 | Very low | 121 Ų | 121 | 110.8 Ų | 110.8 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | trans | 77.4 | 97.9 | -174.1 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1287 | E | 26 | Very low | 26.8 | Very low | 153 Ų | 153 | 111.4 Ų | 111.4 | 72% | 0.715 | 63% | 0.63 | S | S | * | * | cis | -156.4 | 163.7 | 12.1 | -111.6 | 165 | -152.1 | 0 | 0 | 111.9 | ||||
| 1288 | H | 28.5 | Very low | 26.9 | Very low | 143 Ų | 143 | 113.7 Ų | 113.7 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | trans | 32.7 | 140.2 | 150.6 | -58.1 | -55.8 | 0 | 0 | 0 | 122.1 | ||||
| 1289 | H | 27.2 | Very low | 26.7 | Very low | 152 Ų | 152 | 113.9 Ų | 113.9 | 70% | 0.704 | 65% | 0.653 | S | S | * | * | cis | -167 | 133.7 | 2.7 | -120.8 | -59.1 | 0 | 0 | 0 | 111.5 | ||||
| 1290 | S | 22.7 | Very low | 26.7 | Very low | 94 Ų | 94 | 117.4 Ų | 117.4 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | trans | 35.8 | 148.9 | 134.9 | 58.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1291 | V | 22.9 | Very low | 26.5 | Very low | 124 Ų | 124 | 122.1 Ų | 122.1 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | cis | -173.8 | 149.7 | 2 | 119.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1292 | T | 24 | Very low | 26.4 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | 63.9 | 166.9 | 159.2 | 53.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1293 | S | 27.1 | Very low | 26.1 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -127.6 | 165.6 | -167.7 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1294 | I | 25.7 | Very low | 25.8 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 85% | 0.851 | 73% | 0.727 | S | S | * | * | trans | -165.5 | 151.4 | 149.4 | -110.5 | 162.6 | 0 | 0 | 0 | 111.3 | ||||
| 1295 | N | 27.3 | Very low | 25.6 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | -85.4 | 171.1 | 172.2 | -66.8 | -35.9 | 0 | 0 | 0 | 109.7 | ||||
| 1296 | T | 28.8 | Very low | 25.5 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | cis | -163.8 | 156.2 | 24.1 | -26.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1297 | S | 23.6 | Very low | 25.3 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 54.9 | -167.1 | 177.8 | 71.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1298 | P | 31.4 | Very low | 25.1 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | S | Bend | -118.3 | 140 | -116.3 | 29.4 | -9.7 | 0 | 0 | 0 | 115.3 | |||
| 1299 | N | 22.9 | Very low | 24.9 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 54.4 | 95.3 | 161.9 | -64.1 | -12.3 | 0 | 0 | 0 | 117.4 | ||||
| 1300 | S | 22.7 | Very low | 24.6 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 75.8 | 164.3 | 149.4 | 76.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1301 | I | 22.3 | Very low | 24.7 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | 87.3 | 89.2 | 162.2 | -60.8 | 168.3 | 0 | 0 | 0 | 118.3 | ||||
| 1302 | I | 25.5 | Very low | 24.7 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | 78.2 | 127 | 119.2 | -71.1 | 174.5 | 0 | 0 | 0 | 123.1 | |||||
| 1303 | Q | 25.9 | Very low | 24.8 | Very low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 73% | 0.725 | S | S | * | * | trans | 80.5 | 111 | 147.2 | -83.6 | 162.4 | -7 | 0 | 0 | 126.2 | ||||
| 1304 | N | 24.3 | Very low | 24.7 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | 78.3 | 126.3 | 114.7 | -74.7 | 47.3 | 0 | 0 | 0 | 126.8 | |||||
| 1305 | D | 24.6 | Very low | 25.2 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | 87.3 | 105.9 | 124.9 | -64.5 | -12.9 | 0 | 0 | 0 | 126 | |||||
| 1306 | N | 23.2 | Very low | 25 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | 93 | 138.1 | 115.5 | -78.6 | -41 | 0 | 0 | 0 | 126.3 | |||||
| 1307 | L | 24.1 | Very low | 24.7 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | 86 | 108.3 | 144.5 | -69.2 | 161 | 0 | 0 | 0 | 125.4 | ||||
| 1308 | T | 23.5 | Very low | 24.5 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | 77.4 | 124.3 | 127.7 | 54.8 | 0 | 0 | 0 | 0 | 127.3 | |||||
| 1309 | N | 22.9 | Very low | 24 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | 86.3 | 131.1 | 124.9 | -79.9 | -18.4 | 0 | 0 | 0 | 127.4 | |||||
| 1310 | C | 22.1 | Very low | 24 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | trans | 81.4 | 94.7 | 133.6 | -71.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1311 | S | 23.7 | Very low | 24 | Very low | 54 Ų | 54 | 131.7 Ų | 131.7 | 38% | 0.378 | 71% | 0.711 | S | S | . | * | 38 | 128.5 | 121 | 66.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1312 | N | 23.2 | Very low | 24.1 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | 165.6 | 165.1 | 104 | -92.8 | -47.4 | 0 | 0 | 0 | 117.1 | |||||
| 1313 | N | 26.6 | Very low | 24.1 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | trans | 87.6 | 166.1 | 156.2 | -67.2 | -32.1 | 0 | 0 | 0 | 122.3 | ||||
| 1314 | K | 24.1 | Very low | 24 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | trans | -159.4 | 172.6 | -155.2 | -99.4 | -178.4 | 179.9 | 176.1 | 0 | 108.6 | ||||
| 1315 | P | 37.4 | Very low | 24.1 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | cis | -137.6 | -166.1 | -24.6 | 38.6 | -19.3 | 0 | 0 | 0 | 113.5 | ||||
| 1316 | K | 22.1 | Very low | 24.1 | Very low | 188 Ų | 188 | 132 Ų | 132 | 82% | 0.817 | 71% | 0.707 | S | S | * | * | trans | 87.1 | 117 | 147.4 | -109.3 | -167 | -179.1 | -165 | 0 | 121.1 | ||||
| 1317 | T | 22 | Very low | 24.3 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | trans | 75.2 | 139.2 | 147.5 | 1.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1318 | L | 20.3 | Very low | 24.5 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 78% | 0.78 | 71% | 0.708 | S | S | * | * | trans | 52 | 101.8 | 155.3 | -79.5 | 159.2 | 0 | 0 | 0 | 118.9 | ||||
| 1319 | S | 21.1 | Very low | 24.7 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | 49.5 | 157.4 | 120.1 | 66.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1320 | V | 22.4 | Very low | 24.7 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 71% | 0.709 | 71% | 0.706 | S | S | * | * | trans | 88.1 | 80.7 | 165.2 | -170.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1321 | I | 23 | Very low | 25.3 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | 73.4 | 126.7 | 106.4 | -78.6 | 167.9 | 0 | 0 | 0 | 119.5 | |||||
| 1322 | K | 24.7 | Very low | 25.6 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | trans | 73.7 | 157.8 | 151.9 | -73.5 | 172.5 | -174.7 | -174.8 | 0 | 117.4 | ||||
| 1323 | Q | 25.1 | Very low | 25.7 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 67% | 0.673 | 72% | 0.723 | S | S | * | * | cis | -156.2 | 177.8 | 2.3 | -137.9 | 161.5 | -34.7 | 0 | 0 | 114.3 | ||||
| 1324 | N | 24.6 | Very low | 25.6 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | trans | 79.1 | 139.7 | 157.1 | -58.1 | -17.2 | 0 | 0 | 0 | 116.5 | ||||
| 1325 | N | 24.6 | Very low | 26 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | cis | -106.8 | 174.8 | -3.6 | -57 | -49.6 | 0 | 0 | 0 | 110 | ||||
| 1326 | D | 26.1 | Very low | 25.4 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 55% | 0.551 | 70% | 0.697 | S | S | * | * | cis | -156.4 | 145.6 | 8.6 | -146.7 | -24.8 | 0 | 0 | 0 | 110.1 | ||||
| 1327 | R | 26.2 | Very low | 26.3 | Very low | 203 Ų | 203 | 129.9 Ų | 129.9 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | 55.2 | 155.9 | 159.8 | -72.2 | 155.7 | -129.7 | -151.4 | 9 | 122.7 | ||||
| 1328 | H | 28.4 | Very low | 26.6 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | cis | -166.9 | 131.3 | -43.3 | -124.9 | -80.6 | 0 | 0 | 0 | 111.7 | ||||
| 1329 | T | 27.3 | Very low | 26.9 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 61% | 0.607 | 71% | 0.714 | S | S | * | * | trans | 45.7 | 107.8 | 143.9 | 44.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1330 | T | 24.3 | Very low | 27.2 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | 78.3 | 160.3 | 92 | 57.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1331 | P | 34 | Very low | 27.3 | Very low | 101 Ų | 101 | 144 Ų | 144 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | cis | -128.5 | -179.5 | -15.9 | 33.1 | -13.9 | 0 | 0 | 0 | 114.8 | ||||
| 1332 | N | 29.1 | Very low | 27.3 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | 71.3 | 162.7 | 171.5 | -59.4 | -12.2 | 0 | 0 | 0 | 114.1 | ||||
| 1333 | S | 25.9 | Very low | 27.3 | Very low | 89 Ų | 89 | 148.3 Ų | 148.3 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | cis | -170.7 | 168.1 | -11.1 | 34.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 1334 | L | 24.9 | Very low | 27.3 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 52% | 0.524 | 74% | 0.743 | S | S | . | * | cis | -175.6 | 152.2 | -21.4 | -94.3 | 170.8 | 0 | 0 | 0 | 103.9 | L616 | L616-L1334 VanDerWaalsContact CD2-O 3.25Å; L616-L1334 WeakPolarHBondContact CD2-O 3.35Å | ||
| 1335 | H | 31.4 | Very low | 27.3 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | cis | -158.8 | 171.7 | -15.3 | -142.8 | 17.8 | 0 | 0 | 0 | 105.5 | ||||
| 1336 | T | 26.8 | Very low | 27.4 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | cis | -130.8 | 176.3 | 5.3 | 62 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1337 | T | 40 | Very low | 27.3 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | -165.8 | 166.6 | 167.6 | -8.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1338 | Y | 29.3 | Very low | 27.4 | Very low | 232 Ų | 232 | 141.5 Ų | 141.5 | 91% | 0.91 | 74% | 0.743 | S | S | * | * | trans | -75.9 | 153 | 178.3 | -93.5 | -105.5 | 0 | 0 | 0 | 113.9 | ||||
| 1339 | H | 26.5 | Very low | 27.5 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | trans | -144.9 | 177.9 | 179.6 | -118.7 | -20.4 | 0 | 0 | 0 | 114.9 | ||||
| 1340 | S | 25.8 | Very low | 27.6 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | -97.2 | 147.3 | -168.6 | -78.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1341 | R | 24.8 | Very low | 27.7 | Very low | 242 Ų | 242 | 142.5 Ų | 142.5 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 59.1 | 126.1 | 156.5 | -68.9 | -173.9 | 178.4 | -161 | -0.4 | 120 | ||
| 1342 | R | 23.7 | Very low | 27.3 | Very low | 233 Ų | 233 | 143.8 Ų | 143.8 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | 53.1 | 110.8 | 152.1 | -78 | -171.6 | 172.9 | -178.3 | -3.1 | 118.9 | S1344 | R1342-S1344 PolarHBondContact O-N 2.83Š| ||
| 1343 | I | 23.7 | Very low | 27.3 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | 29.7 | 92.2 | 131.6 | -46.4 | 174.7 | 0 | 0 | 0 | 116 | ||||
| 1344 | S | 24.8 | Very low | 27.2 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | -175.3 | 114.6 | 102.4 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | R1342 | R1342-S1344 PolarHBondContact O-N 2.83Š| |||
| 1345 | N | 25.8 | Very low | 27.5 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | 27.7 | 138.1 | 116.6 | -69 | 22 | 0 | 0 | 0 | 118.4 | |||||
| 1346 | I | 26.9 | Very low | 27.3 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | cis | -168.2 | 147 | 5.7 | -130.2 | 168 | 0 | 0 | 0 | 111.9 | ||||
| 1347 | S | 24.2 | Very low | 27.4 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | 44.3 | -179 | 143.6 | 95.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1348 | T | 28.6 | Very low | 26.8 | Very low | 116 Ų | 116 | 144 Ų | 144 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | cis | -155 | 163.5 | -20.7 | 13.2 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1349 | T | 30 | Very low | 26.8 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | 178.5 | 168.9 | 74.4 | 43.6 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 1350 | I | 28.8 | Very low | 26.8 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | cis | -147.7 | 156.5 | 17.8 | -5.5 | 176.6 | 0 | 0 | 0 | 104.2 | ||||
| 1351 | I | 27.6 | Very low | 26.8 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 73% | 0.728 | 73% | 0.731 | S | S | * | * | cis | -141.7 | 131.3 | 35.4 | -76.2 | -175.7 | 0 | 0 | 0 | 109.6 | ||||
| 1352 | D | 25.8 | Very low | 26.8 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | trans | 39.3 | 145.4 | 137.7 | -45.1 | -23.1 | 0 | 0 | 0 | 122 | ||||
| 1353 | T | 29.2 | Very low | 27 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 87% | 0.865 | 71% | 0.712 | S | S | * | * | cis | -114.6 | 133.4 | 12.4 | 36 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1354 | T | 23.8 | Very low | 27 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | trans | -87.2 | 162.4 | 159.2 | 54.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1355 | T | 29.4 | Very low | 27 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | 159.8 | 146.2 | 129.2 | 40.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1356 | N | 27.3 | Very low | 27 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 66% | 0.658 | 70% | 0.703 | S | S | * | * | cis | -163.1 | 177.4 | -32.8 | -140.3 | -10.2 | 0 | 0 | 0 | 111.1 | ||||
| 1357 | N | 30.5 | Very low | 27.6 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 60% | 0.599 | 70% | 0.702 | S | S | * | * | trans | 72.4 | 97.7 | 142.1 | -71.9 | -6.1 | 0 | 0 | 0 | 122.1 | ||||
| 1358 | N | 27.6 | Very low | 27.7 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 68% | 0.684 | 71% | 0.705 | S | S | * | * | 97.8 | 140.8 | 93.4 | -80.1 | -6.5 | 0 | 0 | 0 | 124.3 | |||||
| 1359 | I | 28.4 | Very low | 27.5 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | trans | 92.7 | 96.9 | 130.5 | -78.9 | 167.8 | 0 | 0 | 0 | 120.2 | ||||
| 1360 | N | 26.2 | Very low | 27.3 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | 88.6 | 142 | 120.7 | -70.5 | 7.4 | 0 | 0 | 0 | 123.2 | |||||
| 1361 | N | 25.9 | Very low | 27.3 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | trans | 69.7 | 138 | 144.5 | -66.7 | -3.3 | 0 | 0 | 0 | 118.7 | ||||
| 1362 | S | 25.2 | Very low | 27.3 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 70% | 0.697 | S | S | * | * | cis | -174.4 | 169.1 | -4.4 | 43.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1363 | S | 27.2 | Very low | 27.4 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | trans | 75.4 | 158.2 | 152.3 | 74.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1364 | S | 23.6 | Very low | 27.2 | Very low | 84 Ų | 84 | 125.7 Ų | 125.7 | 59% | 0.587 | 69% | 0.69 | S | S | * | * | 169.7 | 164.9 | -59 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1365 | Y | 25.9 | Very low | 27.3 | Very low | 199 Ų | 199 | 125.6 Ų | 125.6 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | trans | 74.1 | 124.6 | 164.5 | -64.7 | -62.6 | 0 | 0 | 0 | 116.7 | ||||
| 1366 | I | 25.7 | Very low | 27.2 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | cis | 68.1 | 145.3 | 10.6 | -36.8 | 161.1 | 0 | 0 | 0 | 113.7 | ||||
| 1367 | P | 39.3 | Very low | 27 | Very low | 103 Ų | 103 | 126 Ų | 126 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | cis | -123 | -167.1 | -21.6 | 33.6 | -14.8 | 0 | 0 | 0 | 112.5 | ||||
| 1368 | T | 25.6 | Very low | 26.8 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 72% | 0.718 | 69% | 0.693 | S | S | * | * | -170.6 | 148.3 | 121.3 | 16.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1369 | N | 25.3 | Very low | 26.7 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 65% | 0.652 | 69% | 0.691 | S | S | * | * | trans | 41.3 | 139.6 | 145.5 | -64.6 | -38 | 0 | 0 | 0 | 121 | ||||
| 1370 | R | 26.3 | Very low | 26.5 | Very low | 193 Ų | 193 | 130.3 Ų | 130.3 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | cis | -174.9 | 156.4 | 8.3 | -115.2 | 167.5 | -167.3 | 177.1 | -1.7 | 110.1 | ||||
| 1371 | N | 27.1 | Very low | 26.4 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | trans | 68 | 147.6 | 145.3 | -63.5 | 3 | 0 | 0 | 0 | 119.9 | ||||
| 1372 | T | 28.3 | Very low | 26.4 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | cis | -168.2 | 143.6 | -13.2 | 21.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1373 | T | 26.9 | Very low | 26.5 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 69% | 0.693 | 69% | 0.688 | S | S | * | * | trans | 61.9 | 154.9 | 144.8 | 61.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1374 | N | 26.1 | Very low | 26.3 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | cis | -162.8 | 148.8 | -12.5 | -111.1 | -4.1 | 0 | 0 | 0 | 113.5 | ||||
| 1375 | T | 26.3 | Very low | 26.3 | Very low | 106 Ų | 106 | 128 Ų | 128 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | trans | 53.8 | 139.1 | 140 | 62 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1376 | T | 27.1 | Very low | 26.3 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 69% | 0.693 | 68% | 0.678 | S | S | * | * | trans | 71.5 | 146.9 | 137.5 | 50.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1377 | Q | 23.8 | Very low | 26.5 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | cis | -171.5 | 160.5 | -18.6 | -121.4 | 173.8 | 9 | 0 | 0 | 111.3 | ||||
| 1378 | F | 25 | Very low | 25.7 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 73% | 0.728 | 67% | 0.673 | S | S | * | * | trans | 57.3 | 171.9 | 152.8 | -69.1 | -52.2 | 0 | 0 | 0 | 120.6 | ||||
| 1379 | T | 25 | Very low | 25.6 | Very low | 107 Ų | 107 | 129 Ų | 129 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | -150.8 | 162.6 | -70.3 | 13.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1380 | K | 24.7 | Very low | 25.6 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 81% | 0.809 | 68% | 0.677 | S | S | * | * | trans | 59.5 | 110.1 | 147 | -71.8 | 174.9 | 179.2 | 176.6 | 0 | 122.3 | ||||
| 1381 | S | 24.1 | Very low | 25.6 | Very low | 105 Ų | 105 | 123 Ų | 123 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | 95.8 | 136.9 | 113.5 | 81.3 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1382 | T | 26.1 | Very low | 25.4 | Very low | 103 Ų | 103 | 122 Ų | 122 | 63% | 0.632 | 67% | 0.669 | S | S | * | * | trans | 64.3 | 123.1 | 161.8 | 88.8 | 0 | 0 | 0 | 0 | 122.4 | K1475 | T1382-K1475 PolarHBondContact OG1-NZ 2.85Š| ||
| 1383 | N | 26.3 | Very low | 25.3 | Very low | 88 Ų | 88 | 126.3 Ų | 126.3 | 47% | 0.471 | 68% | 0.679 | S | S | . | * | trans | 50.6 | 91.5 | 149.2 | -67.2 | 11.4 | 0 | 0 | 0 | 120.2 | K1475 | N1383-K1475 HydrophobicContact CB-CD 4.35Š| ||
| 1384 | R | 23.8 | Very low | 25.1 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 39% | 0.389 | 68% | 0.678 | S | S | . | * | 93.1 | 155.1 | 121.9 | -76.4 | -174.2 | 179.3 | 171.3 | -0.4 | 121.2 | K1473 M1474 | R1384-K1473 PolarHBondContact NH1-O 3.04Å; R1384-K1473 VanDerWaalsContact NH2-C 3.26Å; R1384-K1473 VanDerWaalsContact NH2-CB 3.29Å; R1384-M1474 PolarHBondContact NH1-O 3.05Å; R1384-M1474 VanDerWaalsContact NH2-N 3.12Å; R1384-M1474 PolarHBondContact NH2-SD 3.1Å | |||
| 1385 | C | 22.9 | Very low | 25.3 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 70% | 0.703 | 68% | 0.675 | S | S | * | * | trans | 61.6 | 93.1 | 163.3 | -64.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1386 | L | 27.4 | Very low | 25.1 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | -1.7 | 142.1 | 117.6 | -71.4 | 163.5 | 0 | 0 | 0 | 115.2 | |||||
| 1387 | P | 28.3 | Very low | 25 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | cis | -145.4 | 152.3 | 28 | 43.2 | -24.6 | 0 | 0 | 0 | 118 | ||||
| 1388 | T | 23.9 | Very low | 25 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 63% | 0.632 | 68% | 0.678 | S | S | * | * | trans | 55.7 | 143.7 | 131.3 | 66.1 | 0 | 0 | 0 | 0 | 125 | ||||
| 1389 | R | 23.9 | Very low | 24.9 | Very low | 218 Ų | 218 | 126 Ų | 126 | 82% | 0.823 | 68% | 0.678 | S | S | * | * | trans | 77.5 | 165.3 | 132.6 | -81.5 | 172.9 | 179.9 | -161.5 | 0.6 | 117.9 | ||||
| 1390 | L | 24.8 | Very low | 24.8 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | cis | -157.4 | 165.1 | 5.2 | -130.4 | 166.5 | 0 | 0 | 0 | 113.2 | ||||
| 1391 | S | 25 | Very low | 24.8 | Very low | 72 Ų | 72 | 125 Ų | 125 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | trans | 85.1 | 137.7 | 135.4 | 76.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1392 | S | 24.7 | Very low | 24.7 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | S | Bend | -130.7 | 148.2 | 105.9 | 70.7 | 0 | 0 | 0 | 0 | 108.7 | |||
| 1393 | K | 25 | Very low | 24.9 | Very low | 196 Ų | 196 | 129 Ų | 129 | 85% | 0.852 | 69% | 0.692 | S | S | * | * | cis | -146.7 | 141.3 | -9.9 | -124 | 167.4 | -173.2 | 177.2 | 0 | 112 | ||||
| 1394 | F | 23.5 | Very low | 24.8 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | trans | -56.3 | 175.7 | 162.8 | -81.3 | -81.8 | 0 | 0 | 0 | 112.5 | ||||
| 1395 | P | 29.1 | Very low | 24.8 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | cis | -159.2 | -172 | 37.7 | 46.5 | -24 | 0 | 0 | 0 | 121.1 | ||||
| 1396 | T | 23.1 | Very low | 24.9 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | trans | 68.3 | 151 | 153.8 | 53.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1397 | I | 25.1 | Very low | 24.8 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 70% | 0.697 | 73% | 0.734 | S | S | * | * | cis | -156.4 | 159.7 | -10.9 | -117.9 | 166.3 | 0 | 0 | 0 | 110.9 | ||||
| 1398 | N | 23.8 | Very low | 24.6 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | trans | 21 | 137.6 | 159.4 | -58.7 | -6.3 | 0 | 0 | 0 | 124.1 | ||||
| 1399 | N | 23.1 | Very low | 24.6 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | 70.4 | 144.8 | 133.9 | -64.3 | -2 | 0 | 0 | 0 | 122.7 | ||||
| 1400 | N | 22.5 | Very low | 24.6 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | 74 | 123.1 | 151.5 | -64.6 | -3.8 | 0 | 0 | 0 | 121.2 | ||||
| 1401 | T | 24.1 | Very low | 24.5 | Very low | 133 Ų | 133 | 128.7 Ų | 128.7 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | trans | 62.8 | 133.1 | 135.6 | 57.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1402 | Q | 23.5 | Very low | 24.5 | Very low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -54 | 164.3 | 149.2 | -76.6 | -171.9 | -15.3 | 0 | 0 | 111.7 | ||||
| 1403 | P | 30.3 | Very low | 24.4 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | cis | -154 | 178.5 | 37.1 | 45.8 | -24.6 | 0 | 0 | 0 | 120.3 | ||||
| 1404 | S | 22.5 | Very low | 24.2 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 15.2 | 135.3 | 149.5 | 62.1 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1405 | R | 23.9 | Very low | 24.3 | Very low | 250 Ų | 250 | 127.1 Ų | 127.1 | 94% | 0.943 | 76% | 0.759 | S | S | * | * | 169.6 | 159.5 | 102.1 | -95.6 | -174.7 | 168.7 | -179.8 | -2.7 | 113.4 | |||||
| 1406 | G | 24.5 | Very low | 24 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | 106.5 | 143 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1407 | S | 26.4 | Very low | 24 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -165.3 | 138.3 | -172.9 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1408 | S | 23.6 | Very low | 24.2 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -166.1 | 106.1 | 153.9 | 55.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1409 | V | 24.5 | Very low | 24.2 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | 62 | 128.4 | 129.2 | -171.6 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1410 | S | 22.8 | Very low | 24.3 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 71.8 | 147.4 | 151.3 | 66.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1411 | S | 23.8 | Very low | 24.3 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | cis | -170.2 | 143.8 | -14.4 | 47.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1412 | L | 25.1 | Very low | 24.4 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 57.7 | 152.4 | 141.5 | -61.1 | 165.1 | 0 | 0 | 0 | 121.7 | ||||
| 1413 | S | 22.2 | Very low | 24.4 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | cis | 178.6 | 133.5 | -43.3 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1414 | S | 20.4 | Very low | 24.1 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -171.6 | 170.1 | 150.2 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1415 | V | 25.9 | Very low | 24.3 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | trans | 74.4 | 102.7 | 165.9 | -166.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1416 | Y | 23.2 | Very low | 24.3 | Very low | 211 Ų | 211 | 123.8 Ų | 123.8 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -1.5 | 130.8 | 140.2 | -84.4 | -105.4 | 0 | 0 | 0 | 120 | ||||
| 1417 | N | 23.7 | Very low | 24.3 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | 172.2 | 145.2 | 101.7 | -96.4 | -61.1 | 0 | 0 | 0 | 116.4 | |||||
| 1418 | G | 28.4 | Very low | 24.2 | Very low | 69 Ų | 69 | 128.3 Ų | 128.3 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 87.6 | 160.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1419 | R | 23.8 | Very low | 24.3 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | cis | 175.1 | 125.9 | -27.1 | -123.8 | -168.5 | 172.7 | -176.8 | -2.5 | 106.9 | Y2572 | R1419-Y2572 VanDerWaalsContact NH2-CD2 3.25Å; R1419-Y2572 VanDerWaalsContact NH2-CE2 3.32Å; R1419-Y2572 VanDerWaalsContact NH2-CZ 3.31Å | ||
| 1420 | V | 24.5 | Very low | 24.2 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | trans | 62.2 | 114.3 | 135 | 175.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1421 | L | 23.3 | Very low | 24.5 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | trans | 64 | 135.1 | 149.2 | -64.4 | 169.1 | 0 | 0 | 0 | 121.5 | ||||
| 1422 | G | 25.7 | Very low | 24.5 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 165.4 | 72.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1423 | V | 24.1 | Very low | 24.4 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -53.7 | 138.4 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1424 | G | 24.5 | Very low | 24.5 | Very low | 72 Ų | 72 | 129.7 Ų | 129.7 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | -169.2 | 8.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1425 | L | 25.1 | Very low | 24.6 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 16.8 | 123.9 | 161.5 | -68.5 | 170.6 | 0 | 0 | 0 | 121.8 | ||||
| 1426 | T | 23.9 | Very low | 24.6 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 69% | 0.693 | 75% | 0.751 | S | S | * | * | trans | 63.8 | 162.4 | 131.6 | 68.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1427 | I | 24.7 | Very low | 24.8 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | cis | -156.3 | 140.2 | -21 | -109.1 | 162.9 | 0 | 0 | 0 | 106 | ||||
| 1428 | N | 25.1 | Very low | 24.8 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | -161 | 161.6 | 120.7 | -127.9 | -17.2 | 0 | 0 | 0 | 113.4 | |||||
| 1429 | S | 25.1 | Very low | 24.7 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | -139.3 | -177.1 | -162.2 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1430 | S | 23.9 | Very low | 24.8 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | trans | 71.7 | 153.9 | 167.5 | 79.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1431 | N | 27.3 | Very low | 25 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | -113 | 154.5 | 16.4 | -76.8 | -65.5 | 0 | 0 | 0 | 113.1 | ||||
| 1432 | R | 23.8 | Very low | 25.2 | Very low | 216 Ų | 216 | 125.6 Ų | 125.6 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | cis | 65.1 | 145 | 48.3 | -81.9 | -178.2 | 173.6 | 177.8 | -3 | 111.6 | ||||
| 1433 | S | 23 | Very low | 25.2 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | cis | -178 | -172.9 | 1.1 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1434 | V | 24.4 | Very low | 25.2 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | trans | 77.7 | 139.4 | 154.7 | 169.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1435 | N | 23.2 | Very low | 25.6 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | cis | -173.6 | -173.4 | -29.1 | -98.1 | -10.3 | 0 | 0 | 0 | 106.1 | ||||
| 1436 | Q | 25.4 | Very low | 25.7 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | trans | 79.6 | 140.8 | 159.3 | -64.3 | 179.2 | 3.7 | 0 | 0 | 115.6 | ||||
| 1437 | S | 27.2 | Very low | 25.9 | Very low | 91 Ų | 91 | 128.9 Ų | 128.9 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | cis | -159.3 | 150.1 | -4.2 | 43 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1438 | N | 24.6 | Very low | 25.8 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | 37 | 149 | 129.1 | -46.1 | -9.6 | 0 | 0 | 0 | 119.4 | |||||
| 1439 | C | 25.9 | Very low | 26 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 66% | 0.655 | 70% | 0.704 | S | S | * | * | cis | -162.5 | 151.3 | 49.1 | -71.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1440 | H | 26.9 | Very low | 26 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | 61.4 | 148.6 | 146.6 | -58.8 | -29.8 | 0 | 0 | 0 | 119.4 | ||||
| 1441 | N | 27.7 | Very low | 26.2 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | cis | -162.3 | 177.4 | -10.4 | -101.4 | -5.8 | 0 | 0 | 0 | 106.4 | ||||
| 1442 | S | 27 | Very low | 26 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | cis | -154.9 | 164.3 | 3.2 | 17.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1443 | S | 26.4 | Very low | 26.2 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | cis | 75.3 | 136.6 | 44.8 | 127.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1444 | R | 24.7 | Very low | 26.3 | Very low | 208 Ų | 208 | 127.9 Ų | 127.9 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | cis | -171.2 | 169.1 | -12.2 | -138.5 | 168.5 | 177.2 | -172.1 | 3.8 | 107.9 | ||||
| 1445 | P | 33.3 | Very low | 26.5 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | -140 | 152 | 81.5 | 31.8 | -13.5 | 0 | 0 | 0 | 113.7 | |||||
| 1446 | S | 25.2 | Very low | 26.5 | Very low | 64 Ų | 64 | 133.1 Ų | 133.1 | 45% | 0.448 | 71% | 0.711 | S | S | . | * | cis | 94.5 | 109.9 | 17.5 | 80.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1447 | N | 28.3 | Very low | 26.6 | Very low | 133 Ų | 133 | 129 Ų | 129 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | 176.1 | 128.4 | 127.9 | -87.4 | -9.3 | 0 | 0 | 0 | 108.4 | |||||
| 1448 | N | 24.3 | Very low | 26.8 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | 70.3 | 139.6 | 89.9 | -59.7 | -11 | 0 | 0 | 0 | 112.4 | |||||
| 1449 | H | 28.6 | Very low | 26.9 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | cis | -158.6 | 152.9 | 18 | -120.6 | -13.8 | 0 | 0 | 0 | 113 | ||||
| 1450 | S | 25.2 | Very low | 27 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | trans | 63.2 | 141.9 | 133.4 | 81.1 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1451 | N | 27.1 | Very low | 26.8 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | trans | 78 | 106.3 | 132.7 | -68.7 | -5.4 | 0 | 0 | 0 | 123 | ||||
| 1452 | N | 24.7 | Very low | 26.7 | Very low | 131 Ų | 131 | 135.7 Ų | 135.7 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | 72.1 | 138.1 | 116.5 | -64.2 | -18.1 | 0 | 0 | 0 | 122.7 | |||||
| 1453 | N | 27.1 | Very low | 26.5 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 70% | 0.695 | 72% | 0.721 | S | S | * | * | trans | 77.4 | 122.1 | 156 | -67.5 | -34.4 | 0 | 0 | 0 | 117.3 | ||||
| 1454 | N | 25.9 | Very low | 26.7 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | 67.2 | 119.5 | 65.3 | -74.3 | -52.6 | 0 | 0 | 0 | 111.2 | |||||
| 1455 | R | 27 | Very low | 26.7 | Very low | 215 Ų | 215 | 133.2 Ų | 133.2 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | cis | -153.9 | 154.8 | 17.4 | -94.6 | 141.9 | 177.4 | 179.6 | -1.7 | 112.5 | ||||
| 1456 | N | 23.6 | Very low | 26.3 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | trans | 52.4 | 144.2 | 145.9 | -68.6 | 0.8 | 0 | 0 | 0 | 122.3 | ||||
| 1457 | S | 28.1 | Very low | 26.3 | Very low | 100 Ų | 100 | 139.7 Ų | 139.7 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | trans | 69.6 | 139.8 | 171.7 | 83.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1458 | N | 30.8 | Very low | 26.1 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | S | Bend | cis | -142.2 | 159.3 | 13 | -82.9 | -73.5 | 0 | 0 | 0 | 109 | ||
| 1459 | N | 28.1 | Very low | 26.2 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 65% | 0.647 | 73% | 0.733 | S | S | * | * | cis | -173.8 | 144.6 | -26.2 | -123.5 | -29.7 | 0 | 0 | 0 | 105 | ||||
| 1460 | R | 27.2 | Very low | 26.1 | Very low | 222 Ų | 222 | 138.6 Ų | 138.6 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | cis | -140.3 | 159.7 | 12.8 | -65.8 | 179.2 | 168.9 | 118.1 | 0.5 | 111 | ||||
| 1461 | N | 21.6 | Very low | 26 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -69.2 | 154.2 | 159.4 | -50.6 | -49.4 | 0 | 0 | 0 | 110.8 | ||||
| 1462 | V | 26.6 | Very low | 25.9 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | -165.1 | 144.8 | 133.5 | 132.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1463 | T | 23.2 | Very low | 25.9 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -59.5 | 142.9 | -178.5 | 44.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1464 | T | 29.5 | Very low | 25.6 | Very low | 128 Ų | 128 | 149.3 Ų | 149.3 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -163.5 | 102.1 | 143.7 | 22 | 0 | 0 | 0 | 0 | 110 | ||||
| 1465 | T | 26.3 | Very low | 25.5 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | 67.3 | 108.7 | 93.7 | 58.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1466 | I | 23.4 | Very low | 25.4 | Very low | 139 Ų | 139 | 148.5 Ų | 148.5 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | 60.8 | 99.2 | 80.8 | -61.5 | 166.2 | 0 | 0 | 0 | 110.7 | |||||
| 1467 | K | 26.2 | Very low | 25.4 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | -173.8 | 150.3 | 77.8 | -108.1 | 139.3 | -168.7 | 169.5 | 0 | 107.4 | |||||
| 1468 | S | 24.1 | Very low | 25.2 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | cis | 67.7 | 113.7 | 32.7 | 82.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1469 | I | 25.6 | Very low | 25.1 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | 43.9 | 109.1 | 143.3 | -50.9 | 167.6 | 0 | 0 | 0 | 117.2 | ||||
| 1470 | N | 27.5 | Very low | 25 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | -166 | 168.4 | 114.6 | -116.1 | -59.3 | 0 | 0 | 0 | 117 | |||||
| 1471 | R | 23.4 | Very low | 24.9 | Very low | 216 Ų | 216 | 143.8 Ų | 143.8 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | trans | -93.3 | 154.9 | -176.1 | -62 | -179.6 | -168.4 | 140.5 | 2.7 | 113.1 | ||||
| 1472 | Y | 23.8 | Very low | 25.1 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | 49.6 | 105.8 | 141.2 | -83.3 | -116.4 | 0 | 0 | 0 | 120 | ||||
| 1473 | K | 24.3 | Very low | 25 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 67% | 0.665 | 72% | 0.72 | S | S | * | * | 66.3 | 119 | 119.5 | -100.6 | 178.3 | -179.9 | 169.8 | 0 | 118.8 | R1384 | R1384-K1473 PolarHBondContact NH1-O 3.04Å; R1384-K1473 VanDerWaalsContact NH2-C 3.26Å; R1384-K1473 VanDerWaalsContact NH2-CB 3.29Å | |||
| 1474 | M | 22.2 | Very low | 25.1 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 70% | 0.7 | 72% | 0.716 | S | S | * | * | trans | -3.9 | 147.3 | 167 | -32 | 145.5 | 76.4 | 0 | 0 | 122.8 | R1384 | R1384-M1474 PolarHBondContact NH1-O 3.05Å; R1384-M1474 VanDerWaalsContact NH2-N 3.12Å; R1384-M1474 PolarHBondContact NH2-SD 3.1Å | ||
| 1475 | K | 23.7 | Very low | 24.8 | Very low | 142 Ų | 142 | 138 Ų | 138 | 62% | 0.617 | 72% | 0.715 | S | S | * | * | -149.7 | 151.7 | 106.6 | -159.4 | 166.8 | -178.1 | 179.1 | 0 | 108.2 | T1382 N1383 | T1382-K1475 PolarHBondContact OG1-NZ 2.85Å; N1383-K1475 HydrophobicContact CB-CD 4.35Å | |||
| 1476 | K | 24.6 | Very low | 24.7 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 81% | 0.809 | 72% | 0.717 | S | S | * | * | trans | -94 | 143.4 | 176.9 | -74.8 | -171.2 | 174 | -167.6 | 0 | 110.5 | ||||
| 1477 | S | 23.2 | Very low | 24.7 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | 174.2 | 146.4 | 145.7 | 44.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1478 | D | 24.7 | Very low | 24.6 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | cis | -159.6 | -173 | -18.2 | -100.8 | -35.7 | 0 | 0 | 0 | 109.5 | ||||
| 1479 | N | 27.2 | Very low | 24.6 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 73% | 0.731 | S | S | * | * | trans | 78.5 | 118.1 | -174.1 | -52.7 | -15.7 | 0 | 0 | 0 | 114.1 | ||||
| 1480 | T | 26.1 | Very low | 24.4 | Very low | 116 Ų | 116 | 136 Ų | 136 | 71% | 0.712 | 73% | 0.725 | S | S | * | * | cis | -156.5 | 136.7 | -1.6 | -2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1481 | T | 26.4 | Very low | 24.2 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | trans | 37.1 | 142.6 | 143.3 | 50.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1482 | T | 25.5 | Very low | 24.3 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 52% | 0.521 | 69% | 0.693 | S | S | . | * | cis | 177.5 | 148.1 | -28.1 | 16.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1483 | T | 24.8 | Very low | 24.4 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 64% | 0.638 | 67% | 0.669 | S | S | * | * | trans | 60.9 | 149.6 | 148.5 | 56 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1484 | T | 24.5 | Very low | 24.5 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | cis | -168.6 | 151.7 | -11.6 | 20.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1485 | T | 24.3 | Very low | 24.6 | Very low | 124 Ų | 124 | 116.5 Ų | 116.5 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | trans | 62.4 | 167.6 | 153.8 | 50.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1486 | T | 23.9 | Very low | 24.6 | Very low | 114 Ų | 114 | 114.2 Ų | 114.2 | 70% | 0.699 | 66% | 0.662 | S | S | * | * | cis | -170.7 | 154.6 | -18.6 | 27.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1487 | T | 22.5 | Very low | 24.7 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 69% | 0.693 | 66% | 0.658 | S | S | * | * | cis | -168.5 | 152.1 | -23.1 | 19 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1488 | N | 25 | Very low | 24.7 | Very low | 164 Ų | 164 | 118.1 Ų | 118.1 | 88% | 0.877 | 67% | 0.666 | S | S | * | * | trans | 66.1 | 144.7 | -178 | -54.7 | -8.7 | 0 | 0 | 0 | 114.2 | ||||
| 1489 | A | 23.2 | Very low | 24.6 | Very low | 103 Ų | 103 | 114.8 Ų | 114.8 | 85% | 0.851 | 67% | 0.665 | S | S | * | * | cis | -128.4 | -140.6 | 10.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1490 | M | 21.8 | Very low | 24.3 | Very low | 131 Ų | 131 | 115.2 Ų | 115.2 | 65% | 0.645 | 67% | 0.667 | S | S | * | * | trans | -91.7 | 164 | -152.4 | -64 | 178.6 | -172.1 | 0 | 0 | 117.6 | Q1103 | Q1103-M1490 PolarHBondContact NE2-SD 2.83Š| ||
| 1491 | F | 24 | Very low | 24.4 | Very low | 145 Ų | 145 | 116.5 Ų | 116.5 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | 13.9 | 134.9 | 148.5 | -63.9 | -66.4 | 0 | 0 | 0 | 118.7 | ||||
| 1492 | N | 25.8 | Very low | 24.3 | Very low | 64 Ų | 64 | 119 Ų | 119 | 34% | 0.342 | 69% | 0.685 | S | S | . | * | cis | -171.2 | 177.4 | 27.8 | -103.6 | -22.4 | 0 | 0 | 0 | 109.5 | Y1100 P1280 | Y1100-N1492 WeakPolarHBondContact CE1-ND2 3.43Å; Y1100-N1492 VanDerWaalsContact OH-CB 3.25Å; Y1100-N1492 WeakPolarHBondContact OH-CB 3.49Å; Y1100-N1492 PolarHBondContact OH-ND2 3.21Å; P1280-N1492 PolarHBondContact O-ND2 3.01Å | ||
| 1493 | S | 24.7 | Very low | 24.2 | Very low | 34 Ų | 34 | 123.5 Ų | 123.5 | 24% | 0.238 | 70% | 0.7 | C | S | . | * | cis | -176.9 | -175.4 | -29.4 | 62.3 | 0 | 0 | 0 | 0 | 110.8 | T1281 N1282 S1283 N1284 | T1281-S1493 PolarHBondContact O-OG 3.23Å; N1282-S1493 PolarHBondContact N-OG 2.89Å; N1282-S1493 VanDerWaalsContact N-OG 3.16Å; N1282-S1493 PolarHBondContact O-N 2.77Å; N1282-S1493 VanDerWaalsContact O-N 3.15Å; N1282-S1493 PolarHBondContact O-OG 3.5Å; S1283-S1493 VanDerWaalsContact CA-O 3.31Å; S1283-S1493 WeakPolarHBondContact CA-O 3.48Å; N1284-S1493 VanDerWaalsContact CA-O 3.27Å; N1284-S1493 WeakPolarHBondContact CA-O 3.22Å; N1284-S1493 PolarHBondContact OD1-O 3.4Å | ||
| 1494 | S | 26.2 | Very low | 24.2 | Very low | 59 Ų | 59 | 125.9 Ų | 125.9 | 41% | 0.413 | 71% | 0.708 | S | S | . | * | trans | 61 | 102.9 | 153.1 | -67.6 | 0 | 0 | 0 | 0 | 124.1 | T1281 N1284 | T1281-S1494 PolarHBondContact O-OG 3.11Å; N1284-S1494 WeakPolarHBondContact CB-O 3.21Å; N1284-S1494 PolarHBondContact ND2-O 3.26Å; N1284-S1494 PolarHBondContact OD1-O 3.29Å | ||
| 1495 | L | 24.4 | Very low | 24.4 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | 81.4 | 130.3 | 118.4 | -164.2 | 111.8 | 0 | 0 | 0 | 121.3 | N1284 | N1284-L1495 PolarHBondContact ND2-O 3.23Å; N1284-L1495 PolarHBondContact OD1-N 3.41Å | |||
| 1496 | S | 23.4 | Very low | 24.8 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | -151 | 144.1 | 124.9 | 76.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1497 | K | 26.5 | Very low | 25.5 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 73% | 0.726 | 71% | 0.712 | S | S | * | * | trans | 96.4 | 94.1 | 156.8 | -60.3 | -162.8 | 177 | 179.4 | 0 | 122.3 | ||||
| 1498 | F | 23.9 | Very low | 27.1 | Very low | 205 Ų | 205 | 128.2 Ų | 128.2 | 90% | 0.899 | 70% | 0.703 | S | S | * | * | 63.6 | 135.3 | 128.4 | -68 | -76.8 | 0 | 0 | 0 | 122.4 | |||||
| 1499 | G | 22.3 | Very low | 29.7 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | trans | 144.9 | 102.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1500 | D | 22.1 | Very low | 32.8 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | trans | -38.6 | 129.2 | 178.9 | -44.1 | -40.2 | 0 | 0 | 0 | 116.9 | ||||
| 1501 | T | 27.8 | Very low | 36 | Very low | 143 Ų | 143 | 121.9 Ų | 121.9 | 88% | 0.877 | 66% | 0.655 | S | S | * | * | trans | -179.6 | 118.8 | 131.3 | 17.9 | 0 | 0 | 0 | 0 | 112.8 | Q1503 | T1501-Q1503 PolarHBondContact O-N 2.93Š| ||
| 1502 | D | 24.2 | Very low | 39.1 | Very low | 161 Ų | 161 | 117.7 Ų | 117.7 | 86% | 0.861 | 64% | 0.636 | S | S | * | * | trans | -84.5 | 102.8 | 167 | -83.5 | -53.8 | 0 | 0 | 0 | 111.3 | ||||
| 1503 | Q | 23.3 | Very low | 42.2 | Very low | 181 Ų | 181 | 114.6 Ų | 114.6 | 85% | 0.846 | 62% | 0.62 | S | S | * | * | trans | -170.6 | 155.3 | 150.8 | -112.4 | 154.1 | 89.9 | 0 | 0 | 114.3 | T1501 | T1501-Q1503 PolarHBondContact O-N 2.93Š| ||
| 1504 | L | 25.4 | Very low | 45.1 | Very low | 153 Ų | 153 | 113 Ų | 113 | 80% | 0.801 | 61% | 0.609 | S | S | * | * | trans | 61.9 | 68.2 | 176.1 | -82 | 82.4 | 0 | 0 | 0 | 117.5 | ||||
| 1505 | L | 27.8 | Very low | 47.7 | Very low | 164 Ų | 164 | 110.6 Ų | 110.6 | 86% | 0.859 | 59% | 0.591 | S | S | * | * | trans | -110.3 | 99.3 | 137.3 | -100.4 | 162.3 | 0 | 0 | 0 | 108.3 | T1507 | L1505-T1507 PolarHBondContact O-N 3.21Š| ||
| 1506 | K | 32 | Very low | 50.1 | Low | 142 Ų | 142 | 105 Ų | 105 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | trans | -79.2 | 99.9 | -177.5 | -148.8 | 171.1 | -176.8 | -179.3 | 0 | 108.5 | T1508 E1526 | K1506-T1508 PolarHBondContact O-N 3.47Å; K1506-E1526 WeakPolarHBondContact CD-OE1 3.16Å; K1506-E1526 VanDerWaalsContact CE-CD 3.49Å; K1506-E1526 VanDerWaalsContact CE-OE1 3.28Å; K1506-E1526 WeakPolarHBondContact CE-OE1 3.47Å; K1506-E1526 IonicContact NZ-OE1 3.35Å; K1506-E1526 PolarHBondContact NZ-OE1 2.73Å; K1506-E1526 IonicContact NZ-OE2 3.52Å; K1506-E1526 PolarHBondContact NZ-OE2 3.14Å | ||
| 1507 | T | 39.2 | Very low | 52.6 | Low | 121 Ų | 121 | 104.1 Ų | 104.1 | 74% | 0.742 | 55% | 0.554 | S | S | * | * | trans | -81.2 | 99.7 | -169.1 | 38.7 | 0 | 0 | 0 | 0 | 112.5 | L1505 T1509 | L1505-T1507 PolarHBondContact O-N 3.21Å; T1507-T1509 PolarHBondContact O-N 2.93Å; T1507-T1509 VanDerWaalsContact O-N 3.15Å | ||
| 1508 | T | 57.2 | Low | 55.2 | Low | 83 Ų | 83 | 96.9 Ų | 96.9 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | trans | -61.9 | 110.4 | 170.8 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | K1506 T1510 D1525 | K1506-T1508 PolarHBondContact O-N 3.47Å; T1508-T1510 PolarHBondContact O-N 2.89Å; T1508-D1525 WeakPolarHBondContact CG2-OD1 3.31Å | ||
| 1509 | T | 79.4 | Confident | 58.2 | Low | 71 Ų | 71 | 87.5 Ų | 87.5 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 105.5 | 179.7 | 39.9 | 0 | 0 | 0 | 0 | 111.1 | F1257 T1507 L1524 | F1257-T1509 WeakPolarHBondContact CE2-O 3.46Å; F1257-T1509 WeakPolarHBondContact CZ-O 3.4Å; T1507-T1509 PolarHBondContact O-N 2.93Å; T1507-T1509 VanDerWaalsContact O-N 3.15Å; T1509-L1524 PolarHBondContact O-N 2.92Å; T1509-L1524 VanDerWaalsContact O-N 3.16Å |
| 1510 | T | 86.8 | Confident | 61.5 | Low | 82 Ų | 82 | 84.1 Ų | 84.1 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 143.8 | 168.9 | 35.7 | 0 | 0 | 0 | 0 | 112.9 | T1508 L1521 I1522 | T1508-T1510 PolarHBondContact O-N 2.89Å; T1510-L1521 HydrophobicContact CG2-CD2 3.99Å; T1510-I1522 CarbonylContact C-O 3.59Å; T1510-I1522 VanDerWaalsContact CA-O 3.27Å; T1510-I1522 WeakPolarHBondContact CA-O 3.2Å |
| 1511 | R | 88.9 | Confident | 64.8 | Low | 112 Ų | 112 | 78.5 Ų | 78.5 | 42% | 0.423 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 134 | 168.2 | -69.3 | -64 | -172.3 | 169.4 | -0 | 110.4 | F1257 V1261 L1521 I1522 | F1257-R1511 HydrophobicContact CZ-CG 4.13Å; V1261-R1511 HydrophobicContact CG2-CB 4.16Å; V1261-R1511 HydrophobicContact CG2-CG 4.15Å; R1511-L1521 WeakPolarHBondContact O-CA 3.36Å; R1511-I1522 PolarHBondContact N-O 3.38Å; R1511-I1522 PolarHBondContact O-N 3.42Å |
| 1512 | K | 90.7 | Very high | 67.9 | Low | 57 Ų | 57 | 71.7 Ų | 71.7 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.7 | 171.8 | -69.4 | 178.8 | 176.5 | -179.6 | 0 | 109.3 | F1204 C1272 E1274 L1521 | F1204-K1512 HydrophobicContact CD1-CD 4.09Å; F1204-K1512 HydrophobicContact CD2-CB 3.83Å; F1204-K1512 HydrophobicContact CD2-CD 4.3Å; F1204-K1512 HydrophobicContact CD2-CG 4.26Å; F1204-K1512 HydrophobicContact CE1-CD 4.36Å; F1204-K1512 HydrophobicContact CE2-CB 4.03Å; F1204-K1512 HydrophobicContact CE2-CG 4.21Å; F1204-K1512 HydrophobicContact CG-CB 4.37Å; F1204-K1512 HydrophobicContact CG-CD 4.05Å; F1204-K1512 HydrophobicContact CZ-CG 4.42Å; C1272-K1512 HydrophobicContact CB-CB 3.95Å; C1272-K1512 PolarHBondContact N-O 2.93Å; C1272-K1512 VanDerWaalsContact N-O 3.13Å; E1274-K1512 IonicContact OE1-NZ 2.69Å; E1274-K1512 PolarHBondContact OE1-NZ 3.43Å; K1512-L1521 HydrophobicContact CG-CD1 4.25Å; K1512-L1521 HydrophobicContact CG-CG 4.48Å |
| 1513 | L | 89.6 | Confident | 71.1 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 143.1 | -173.7 | -70.9 | 158.6 | 0 | 0 | 0 | 109.1 | V1261 R1264 I1265 F1269 Q1270 L1271 H1520 I1522 | V1261-L1513 HydrophobicContact CG1-CD1 4.45Å; R1264-L1513 HydrophobicContact CB-CD1 3.83Å; R1264-L1513 HydrophobicContact CG-CD1 4.12Å; I1265-L1513 HydrophobicContact CD1-CD2 4.4Å; I1265-L1513 HydrophobicContact CG1-CD2 3.9Å; F1269-L1513 HydrophobicContact CB-CB 4.37Å; F1269-L1513 HydrophobicContact CB-CD2 4.33Å; F1269-L1513 HydrophobicContact CD1-CB 3.88Å; Q1270-L1513 VanDerWaalsContact O-CA 3.29Å; Q1270-L1513 WeakPolarHBondContact O-CA 3.34Å; L1271-L1513 HydrophobicContact CD2-CD2 3.68Å; L1271-L1513 HydrophobicContact CD2-CG 4.4Å; L1271-L1513 HydrophobicContact CG-CD2 4.03Å; L1513-H1520 HydrophobicContact CB-CB 4.14Å; L1513-H1520 PolarHBondContact N-O 3.44Å; L1513-H1520 PolarHBondContact O-N 2.96Å; L1513-H1520 VanDerWaalsContact O-O 3.11Å; L1513-I1522 HydrophobicContact CD1-CD1 3.77Å; L1513-I1522 HydrophobicContact CD1-CG1 4.31Å |
| 1514 | S | 86.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.7 | 174.1 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | D1202 F1269 Q1270 C1272 L1518 F1519 | D1202-S1514 VanDerWaalsContact CB-OG 3.23Å; D1202-S1514 WeakPolarHBondContact CB-OG 3.47Å; D1202-S1514 WeakPolarHBondContact OD2-CB 3.44Å; D1202-S1514 PolarHBondContact OD2-OG 3.15Å; F1269-S1514 CarbonylContact C-O 3.46Å; F1269-S1514 VanDerWaalsContact CA-O 3.22Å; F1269-S1514 WeakPolarHBondContact CA-O 3.2Å; Q1270-S1514 PolarHBondContact N-O 3.46Å; Q1270-S1514 PolarHBondContact O-N 2.95Å; C1272-S1514 PolarHBondContact SG-OG 3.48Å; S1514-L1518 CarbonylContact C-O 3.58Å; S1514-L1518 WeakPolarHBondContact CA-O 3.47Å; S1514-F1519 VanDerWaalsContact CB-CD1 3.47Å |
| 1515 | I | 80.6 | Confident | 77.3 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 5% | 0.046 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 86.1 | 167.2 | -172.5 | 172.5 | 0 | 0 | 0 | 108.4 | F1269 H1517 L1518 T1569 | F1269-I1515 HydrophobicContact CD1-CB 4.21Å; F1269-I1515 HydrophobicContact CD1-CG2 3.96Å; F1269-I1515 HydrophobicContact CD2-CB 4.18Å; F1269-I1515 HydrophobicContact CD2-CG2 3.86Å; F1269-I1515 HydrophobicContact CE1-CB 4.46Å; F1269-I1515 HydrophobicContact CE1-CG2 3.73Å; F1269-I1515 HydrophobicContact CE2-CB 4.41Å; F1269-I1515 HydrophobicContact CE2-CG2 3.6Å; F1269-I1515 HydrophobicContact CG-CB 4.08Å; F1269-I1515 HydrophobicContact CG-CG2 4.05Å; F1269-I1515 HydrophobicContact CZ-CG2 3.55Å; I1515-H1517 PolarHBondContact O-N 3.44Å; I1515-L1518 HydrophobicContact CG2-CB 3.82Å; I1515-L1518 HydrophobicContact CG2-CD2 3.92Å; I1515-L1518 HydrophobicContact CG2-CG 4.17Å; I1515-L1518 PolarHBondContact N-O 3.42Å; I1515-L1518 PolarHBondContact O-N 2.8Å; I1515-T1569 HydrophobicContact CD1-CG2 3.65Å; I1515-T1569 HydrophobicContact CG1-CG2 4.19Å; I1515-T1569 HydrophobicContact CG2-CG2 4.45Å |
| 1516 | G | 74.5 | Confident | 79.8 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | -91.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1202 F1519 | D1202-G1516 PolarHBondContact OD2-N 3.2Å; G1516-F1519 WeakPolarHBondContact O-CZ 3.11Å |
| 1517 | H | 75.5 | Confident | 82.3 | Confident | 76 Ų | 76 | 49.7 Ų | 49.7 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 6.2 | -175.5 | -65.3 | -97.8 | 0 | 0 | 0 | 113.7 | I1515 E1536 | I1515-H1517 PolarHBondContact O-N 3.44Å; H1517-E1536 HydrophobicContact CB-CB 4.13Å; H1517-E1536 IonicContact CE1-OE2 3.68Å; H1517-E1536 IonicContact CG-OE2 3.16Å; H1517-E1536 IonicContact ND1-OE1 3.98Å; H1517-E1536 IonicContact ND1-OE2 2.72Å; H1517-E1536 PolarHBondContact ND1-OE2 3.28Å; H1517-E1536 PolarHBondContact O-N 3.3Å |
| 1518 | L | 80.9 | Confident | 84.5 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.7 | 178.5 | 176.7 | 65.5 | 0 | 0 | 0 | 109.8 | F1269 S1514 I1515 R1535 | F1269-L1518 HydrophobicContact CE1-CD2 4.4Å; F1269-L1518 HydrophobicContact CE1-CG 4.22Å; F1269-L1518 HydrophobicContact CE2-CD2 4.36Å; F1269-L1518 HydrophobicContact CZ-CD2 3.62Å; F1269-L1518 HydrophobicContact CZ-CG 3.93Å; S1514-L1518 CarbonylContact C-O 3.58Å; S1514-L1518 WeakPolarHBondContact CA-O 3.47Å; I1515-L1518 HydrophobicContact CG2-CB 3.82Å; I1515-L1518 HydrophobicContact CG2-CD2 3.92Å; I1515-L1518 HydrophobicContact CG2-CG 4.17Å; I1515-L1518 PolarHBondContact N-O 3.42Å; I1515-L1518 PolarHBondContact O-N 2.8Å; L1518-R1535 HydrophobicContact CD1-CB 3.92Å |
| 1519 | F | 87.5 | Confident | 86.2 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.2 | -171.7 | -54.6 | -79.6 | 0 | 0 | 0 | 111.2 | F1204 P1205 L1210 Y1215 S1514 G1516 S1533 Y1534 | F1204-F1519 HydrophobicContact CD2-CD1 4.25Å; F1204-F1519 HydrophobicContact CE2-CB 3.88Å; F1204-F1519 HydrophobicContact CE2-CD1 4.44Å; F1204-F1519 HydrophobicContact CZ-CB 4.19Å; P1205-F1519 VanDerWaalsContact CD-CD1 3.46Å; P1205-F1519 HydrophobicContact CG-CD1 4.21Å; P1205-F1519 HydrophobicContact CG-CD2 4.37Å; P1205-F1519 HydrophobicContact CG-CE1 3.72Å; P1205-F1519 HydrophobicContact CG-CE2 3.87Å; P1205-F1519 HydrophobicContact CG-CZ 3.52Å; L1210-F1519 HydrophobicContact CD2-CD2 3.86Å; L1210-F1519 HydrophobicContact CD2-CE2 4.46Å; L1210-F1519 HydrophobicContact CD2-CG 4.27Å; Y1215-F1519 HydrophobicContact CE1-CD2 4.27Å; Y1215-F1519 AromaticContact CE1-CE2 3.97Å; Y1215-F1519 HydrophobicContact CE1-CE2 3.97Å; S1514-F1519 VanDerWaalsContact CB-CD1 3.47Å; G1516-F1519 WeakPolarHBondContact O-CZ 3.11Å; F1519-S1533 WeakPolarHBondContact O-CA 3.46Å; F1519-Y1534 HydrophobicContact CB-CD2 4.41Å; F1519-Y1534 PolarHBondContact N-O 2.65Å; F1519-Y1534 PolarHBondContact O-N 3.01Å |
| 1520 | H | 90.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.9 | 179.7 | -76.4 | -175.3 | 0 | 0 | 0 | 111.4 | F1269 L1513 T1532 S1533 W1574 | F1269-H1520 HydrophobicContact CD1-CB 4.45Å; F1269-H1520 HydrophobicContact CE1-CB 3.9Å; F1269-H1520 AromaticContact CE1-CD2 3.98Å; F1269-H1520 AromaticContact CE1-CE1 3.96Å; F1269-H1520 AromaticContact CE1-CG 3.51Å; F1269-H1520 AromaticContact CE1-ND1 3.48Å; F1269-H1520 WeakPolarHBondContact CE1-ND1 3.06Å; F1269-H1520 AromaticContact CZ-CE1 3.47Å; F1269-H1520 VanDerWaalsContact CZ-CE1 3.47Å; F1269-H1520 WeakPolarHBondContact CZ-CE1 3.04Å; F1269-H1520 AromaticContact CZ-CG 3.85Å; F1269-H1520 AromaticContact CZ-ND1 3.39Å; F1269-H1520 WeakPolarHBondContact CZ-ND1 3.42Å; F1269-H1520 AromaticContact CZ-NE2 3.95Å; L1513-H1520 HydrophobicContact CB-CB 4.14Å; L1513-H1520 PolarHBondContact N-O 3.44Å; L1513-H1520 PolarHBondContact O-N 2.96Å; L1513-H1520 VanDerWaalsContact O-O 3.11Å; H1520-T1532 WeakPolarHBondContact CA-O 3.41Å; H1520-S1533 VanDerWaalsContact CD2-CB 3.43Å; H1520-S1533 WeakPolarHBondContact CD2-CB 3.36Å; H1520-S1533 PolarHBondContact CD2-OG 2.93Å; H1520-S1533 WeakPolarHBondContact NE2-CB 3.43Å; H1520-S1533 PolarHBondContact NE2-OG 2.9Å; H1520-W1574 AromaticContact CE1-CD1 3.87Å; H1520-W1574 AromaticContact CE1-CD2 3.74Å; H1520-W1574 AromaticContact CE1-CE2 3.53Å; H1520-W1574 AromaticContact CE1-CG 3.97Å; H1520-W1574 AromaticContact CE1-CZ2 3.99Å; H1520-W1574 AromaticContact CE1-NE1 3.6Å |
| 1521 | L | 91.9 | Very high | 87 | Confident | 41 Ų | 41 | 34 Ų | 34 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.4 | 172 | -169.1 | 155.4 | 0 | 0 | 0 | 108 | T1510 R1511 K1512 T1532 | T1510-L1521 HydrophobicContact CG2-CD2 3.99Å; R1511-L1521 WeakPolarHBondContact O-CA 3.36Å; K1512-L1521 HydrophobicContact CG-CD1 4.25Å; K1512-L1521 HydrophobicContact CG-CG 4.48Å; L1521-T1532 PolarHBondContact N-O 2.91Å; L1521-T1532 PolarHBondContact O-N 2.84Å |
| 1522 | I | 93.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.5 | -176.9 | -51.2 | 180 | 0 | 0 | 0 | 108.1 | F1257 M1260 V1261 R1264 T1510 R1511 L1513 I1529 G1530 V1531 | F1257-I1522 HydrophobicContact CD2-CG2 3.83Å; F1257-I1522 HydrophobicContact CE2-CB 4.39Å; F1257-I1522 HydrophobicContact CE2-CG2 3.79Å; M1260-I1522 HydrophobicContact CE-CG2 4.3Å; V1261-I1522 HydrophobicContact CG2-CD1 4.11Å; R1264-I1522 HydrophobicContact CG-CD1 4.44Å; T1510-I1522 CarbonylContact C-O 3.59Å; T1510-I1522 VanDerWaalsContact CA-O 3.27Å; T1510-I1522 WeakPolarHBondContact CA-O 3.2Å; R1511-I1522 PolarHBondContact N-O 3.38Å; R1511-I1522 PolarHBondContact O-N 3.42Å; L1513-I1522 HydrophobicContact CD1-CD1 3.77Å; L1513-I1522 HydrophobicContact CD1-CG1 4.31Å; I1522-I1529 HydrophobicContact CG2-CG2 3.81Å; I1522-G1530 CarbonylContact C-O 3.55Å; I1522-G1530 WeakPolarHBondContact CA-O 3.36Å; I1522-V1531 HydrophobicContact CG2-CG2 4.45Å |
| 1523 | S | 92.4 | Very high | 86.9 | Confident | 19 Ų | 19 | 28 Ų | 28 | 13% | 0.133 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.1 | -176.6 | 53.3 | 0 | 0 | 0 | 0 | 110.9 | I1529 G1530 | S1523-I1529 CarbonylContact O-C 3.57Å; S1523-I1529 VanDerWaalsContact O-CA 3.27Å; S1523-I1529 WeakPolarHBondContact O-CA 3.38Å; S1523-I1529 WeakPolarHBondContact O-CG2 3.47Å; S1523-G1530 PolarHBondContact N-O 2.84Å; S1523-G1530 PolarHBondContact O-N 2.85Å; S1523-G1530 VanDerWaalsContact OG-CA 3.28Å; S1523-G1530 WeakPolarHBondContact OG-CA 3.21Å; S1523-G1530 PolarHBondContact OG-N 3.38Å; S1523-G1530 PolarHBondContact OG-O 2.9Å |
| 1524 | L | 91.7 | Very high | 86.9 | Confident | 23 Ų | 23 | 30 Ų | 30 | 12% | 0.12 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 110.8 | 169.3 | -178.8 | 62.9 | 0 | 0 | 0 | 109.6 | A1253 R1254 F1257 T1509 E1526 I1529 | A1253-L1524 HydrophobicContact CB-CD1 4.36Å; R1254-L1524 HydrophobicContact CB-CD2 4.5Å; F1257-L1524 HydrophobicContact CB-CD1 4.28Å; F1257-L1524 HydrophobicContact CB-CD2 4.34Å; F1257-L1524 HydrophobicContact CD1-CB 4.39Å; F1257-L1524 HydrophobicContact CD1-CD2 4.27Å; F1257-L1524 HydrophobicContact CD2-CB 3.78Å; F1257-L1524 HydrophobicContact CE2-CB 3.99Å; F1257-L1524 HydrophobicContact CG-CB 3.99Å; F1257-L1524 HydrophobicContact CG-CD2 4.26Å; F1257-L1524 HydrophobicContact CZ-CB 4.39Å; T1509-L1524 PolarHBondContact O-N 2.92Å; T1509-L1524 VanDerWaalsContact O-N 3.16Å; L1524-E1526 WeakPolarHBondContact CD1-O 3.49Å; L1524-I1529 HydrophobicContact CD1-CG1 3.97Å |
| 1525 | D | 86.1 | Confident | 86.5 | Confident | 48 Ų | 48 | 34.3 Ų | 34.3 | 26% | 0.257 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 86.3 | 178.5 | -63.1 | -30.2 | 0 | 0 | 0 | 108.8 | R1221 T1508 D1527 S1528 | R1221-D1525 IonicContact CZ-OD2 2.73Å; R1221-D1525 IonicContact NH2-OD2 2.64Å; R1221-D1525 PolarHBondContact NH2-OD2 3.1Å; T1508-D1525 WeakPolarHBondContact CG2-OD1 3.31Å; D1525-D1527 PolarHBondContact O-N 2.64Å; D1525-S1528 PolarHBondContact N-O 3.29Å; D1525-S1528 PolarHBondContact O-N 3Å; D1525-S1528 PolarHBondContact O-OG 3.48Å |
| 1526 | E | 80.9 | Confident | 86.3 | Confident | 125 Ų | 125 | 35.7 Ų | 35.7 | 58% | 0.584 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -103.5 | -175.4 | -48 | -163.7 | -168.3 | 0 | 0 | 111.7 | K1506 L1524 | K1506-E1526 WeakPolarHBondContact CD-OE1 3.16Å; K1506-E1526 VanDerWaalsContact CE-CD 3.49Å; K1506-E1526 VanDerWaalsContact CE-OE1 3.28Å; K1506-E1526 WeakPolarHBondContact CE-OE1 3.47Å; K1506-E1526 IonicContact NZ-OE1 3.35Å; K1506-E1526 PolarHBondContact NZ-OE1 2.73Å; K1506-E1526 IonicContact NZ-OE2 3.52Å; K1506-E1526 PolarHBondContact NZ-OE2 3.14Å; L1524-E1526 WeakPolarHBondContact CD1-O 3.49Å |
| 1527 | D | 84.3 | Confident | 86.2 | Confident | 123 Ų | 123 | 39.4 Ų | 39.4 | 66% | 0.658 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 7.1 | -179.8 | -52.1 | -53.4 | 0 | 0 | 0 | 113.5 | D1525 | D1525-D1527 PolarHBondContact O-N 2.64Š|
| 1528 | S | 85.8 | Confident | 85.7 | Confident | 17 Ų | 17 | 38.5 Ų | 38.5 | 12% | 0.119 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 140.2 | -175.1 | 65.1 | 0 | 0 | 0 | 0 | 112.9 | R1221 D1525 | R1221-S1528 PolarHBondContact NE-OG 3.02Å; R1221-S1528 PolarHBondContact NH1-OG 3.21Å; R1221-S1528 PolarHBondContact NH2-OG 2.93Å; D1525-S1528 PolarHBondContact N-O 3.29Å; D1525-S1528 PolarHBondContact O-N 3Å; D1525-S1528 PolarHBondContact O-OG 3.48Å |
| 1529 | I | 91.6 | Very high | 85 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 117.3 | -176.6 | -56.6 | 168.3 | 0 | 0 | 0 | 109.2 | R1221 V1222 V1256 F1257 M1260 I1522 S1523 L1524 V1531 | R1221-I1529 CarbonylContact C-O 3.6Å; R1221-I1529 VanDerWaalsContact CA-O 3.31Å; R1221-I1529 WeakPolarHBondContact CA-O 3.14Å; R1221-I1529 WeakPolarHBondContact CG-O 3.38Å; V1222-I1529 HydrophobicContact CB-CB 4.37Å; V1222-I1529 PolarHBondContact N-O 3.3Å; V1222-I1529 PolarHBondContact O-N 2.73Å; V1256-I1529 HydrophobicContact CB-CD1 3.99Å; V1256-I1529 HydrophobicContact CG1-CD1 3.68Å; F1257-I1529 HydrophobicContact CB-CD1 3.97Å; F1257-I1529 HydrophobicContact CB-CG1 4.27Å; F1257-I1529 HydrophobicContact CD2-CG2 4.34Å; M1260-I1529 HydrophobicContact CE-CG2 3.67Å; M1260-I1529 HydrophobicContact SD-CD1 3.8Å; M1260-I1529 HydrophobicContact SD-CG2 3.97Å; I1522-I1529 HydrophobicContact CG2-CG2 3.81Å; S1523-I1529 CarbonylContact O-C 3.57Å; S1523-I1529 VanDerWaalsContact O-CA 3.27Å; S1523-I1529 WeakPolarHBondContact O-CA 3.38Å; S1523-I1529 WeakPolarHBondContact O-CG2 3.47Å; L1524-I1529 HydrophobicContact CD1-CG1 3.97Å; I1529-V1531 HydrophobicContact CG2-CG2 4.39Å |
| 1530 | G | 91.5 | Very high | 84.1 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1522 S1523 | I1522-G1530 CarbonylContact C-O 3.55Å; I1522-G1530 WeakPolarHBondContact CA-O 3.36Å; S1523-G1530 PolarHBondContact N-O 2.84Å; S1523-G1530 PolarHBondContact O-N 2.85Å; S1523-G1530 VanDerWaalsContact OG-CA 3.28Å; S1523-G1530 WeakPolarHBondContact OG-CA 3.21Å; S1523-G1530 PolarHBondContact OG-N 3.38Å; S1523-G1530 PolarHBondContact OG-O 2.9Å |
| 1531 | V | 91.9 | Very high | 83.6 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.4 | 175.2 | -174.3 | 0 | 0 | 0 | 0 | 110 | D1219 Y1220 M1260 I1522 I1529 | D1219-V1531 WeakPolarHBondContact CA-O 3.23Å; Y1220-V1531 HydrophobicContact CD1-CB 4.31Å; Y1220-V1531 HydrophobicContact CD2-CB 4.33Å; Y1220-V1531 HydrophobicContact CE1-CB 3.92Å; Y1220-V1531 HydrophobicContact CE1-CG1 3.78Å; Y1220-V1531 HydrophobicContact CE2-CB 3.94Å; Y1220-V1531 HydrophobicContact CE2-CG1 4.38Å; Y1220-V1531 HydrophobicContact CE2-CG2 3.98Å; Y1220-V1531 HydrophobicContact CG-CB 4.5Å; Y1220-V1531 PolarHBondContact N-O 2.97Å; Y1220-V1531 PolarHBondContact O-N 2.88Å; M1260-V1531 HydrophobicContact CE-CG2 3.4Å; I1522-V1531 HydrophobicContact CG2-CG2 4.45Å; I1529-V1531 HydrophobicContact CG2-CG2 4.39Å |
| 1532 | T | 90.9 | Very high | 83.2 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.8 | 174.7 | -70.5 | 0 | 0 | 0 | 0 | 109 | L1217 D1219 H1520 L1521 Y1534 | L1217-T1532 HydrophobicContact CD1-CG2 3.78Å; D1219-T1532 VanDerWaalsContact OD1-CA 3.32Å; D1219-T1532 WeakPolarHBondContact OD1-CA 3.38Å; D1219-T1532 WeakPolarHBondContact OD1-CB 3.31Å; D1219-T1532 VanDerWaalsContact OD1-CG2 3.28Å; D1219-T1532 WeakPolarHBondContact OD1-CG2 3.48Å; D1219-T1532 PolarHBondContact OD1-OG1 3.41Å; H1520-T1532 WeakPolarHBondContact CA-O 3.41Å; L1521-T1532 PolarHBondContact N-O 2.91Å; L1521-T1532 PolarHBondContact O-N 2.84Å; T1532-Y1534 HydrophobicContact CG2-CD2 4.13Å; T1532-Y1534 HydrophobicContact CG2-CE2 3.41Å; T1532-Y1534 VanDerWaalsContact CG2-CE2 3.41Å |
| 1533 | S | 87.7 | Confident | 82.9 | Confident | 10 Ų | 10 | 60 Ų | 60 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130.8 | 179.8 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | L1217 H1218 F1519 H1520 | L1217-S1533 CarbonylContact C-O 3.55Å; L1217-S1533 WeakPolarHBondContact CA-O 3.46Å; H1218-S1533 PolarHBondContact N-O 3.22Å; H1218-S1533 PolarHBondContact O-N 3.07Å; F1519-S1533 WeakPolarHBondContact O-CA 3.46Å; H1520-S1533 VanDerWaalsContact CD2-CB 3.43Å; H1520-S1533 WeakPolarHBondContact CD2-CB 3.36Å; H1520-S1533 PolarHBondContact CD2-OG 2.93Å; H1520-S1533 WeakPolarHBondContact NE2-CB 3.43Å; H1520-S1533 PolarHBondContact NE2-OG 2.9Å |
| 1534 | Y | 88.1 | Confident | 82.7 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 17% | 0.173 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.7 | 173.2 | -53.6 | -95.9 | 0 | 0 | 0 | 109.7 | L1210 T1216 L1217 F1519 T1532 | L1210-Y1534 HydrophobicContact CB-CD1 3.8Å; L1210-Y1534 HydrophobicContact CB-CE1 3.84Å; L1210-Y1534 HydrophobicContact CB-CG 4.27Å; L1210-Y1534 HydrophobicContact CD1-CD2 4.2Å; L1210-Y1534 HydrophobicContact CD1-CE2 4.16Å; L1210-Y1534 HydrophobicContact CD1-CG 4.47Å; L1210-Y1534 HydrophobicContact CD2-CD1 4.4Å; L1210-Y1534 HydrophobicContact CD2-CD2 4.44Å; L1210-Y1534 HydrophobicContact CD2-CG 4.07Å; L1210-Y1534 HydrophobicContact CG-CG 4.5Å; T1216-Y1534 WeakPolarHBondContact O-CA 3.3Å; L1217-Y1534 HydrophobicContact CD1-CD1 4.06Å; L1217-Y1534 HydrophobicContact CD1-CE1 3.78Å; F1519-Y1534 HydrophobicContact CB-CD2 4.41Å; F1519-Y1534 PolarHBondContact N-O 2.65Å; F1519-Y1534 PolarHBondContact O-N 3.01Å; T1532-Y1534 HydrophobicContact CG2-CD2 4.13Å; T1532-Y1534 HydrophobicContact CG2-CE2 3.41Å; T1532-Y1534 VanDerWaalsContact CG2-CE2 3.41Å |
| 1535 | R | 79 | Confident | 82.6 | Confident | 90 Ų | 90 | 62.7 Ų | 62.7 | 34% | 0.34 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130 | -179.8 | 170.2 | -174.9 | 164.2 | -171.2 | -4.4 | 111.2 | Y1215 T1216 L1518 | Y1215-R1535 CarbonylContact C-O 3.09Å; Y1215-R1535 WeakPolarHBondContact CA-O 3.5Å; T1216-R1535 PolarHBondContact N-O 3.24Å; T1216-R1535 PolarHBondContact O-N 3.09Å; T1216-R1535 PolarHBondContact OG1-O 3.49Å; L1518-R1535 HydrophobicContact CD1-CB 3.92Å |
| 1536 | E | 77.4 | Confident | 82.8 | Confident | 38 Ų | 38 | 63 Ų | 63 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 144.8 | 176.2 | -151.6 | 160 | 150.5 | 0 | 0 | 112.7 | W1214 Y1215 H1517 D1538 | W1214-E1536 CarbonylContact O-C 3.51Å; W1214-E1536 WeakPolarHBondContact O-CA 3.48Å; Y1215-E1536 HydrophobicContact CD1-CB 4.04Å; Y1215-E1536 HydrophobicContact CD1-CG 4.37Å; Y1215-E1536 HydrophobicContact CE1-CB 3.59Å; Y1215-E1536 HydrophobicContact CE1-CG 3.78Å; Y1215-E1536 WeakPolarHBondContact CE1-OE2 3.21Å; Y1215-E1536 VanDerWaalsContact CZ-OE2 3.3Å; Y1215-E1536 PolarHBondContact OH-OE2 2.92Å; H1517-E1536 HydrophobicContact CB-CB 4.13Å; H1517-E1536 IonicContact CE1-OE2 3.68Å; H1517-E1536 IonicContact CG-OE2 3.16Å; H1517-E1536 IonicContact ND1-OE1 3.98Å; H1517-E1536 IonicContact ND1-OE2 2.72Å; H1517-E1536 PolarHBondContact ND1-OE2 3.28Å; H1517-E1536 PolarHBondContact O-N 3.3Å; E1536-D1538 VanDerWaalsContact C-N 3.28Å; E1536-D1538 PolarHBondContact O-N 3.45Å |
| 1537 | I | 71.8 | Confident | 83.3 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 54% | 0.544 | 29% | 0.291 | S | S | . | . | trans | -84.6 | 71.9 | 179.7 | -54.6 | 176.9 | 0 | 0 | 0 | 109.7 | E1213 W1214 T1216 | E1213-I1537 VanDerWaalsContact O-CD1 3.32Å; E1213-I1537 WeakPolarHBondContact O-CD1 3.48Å; W1214-I1537 WeakPolarHBondContact O-CG1 3.3Å; W1214-I1537 PolarHBondContact O-N 3.41Å; T1216-I1537 HydrophobicContact CG2-CD1 4Å; T1216-I1537 HydrophobicContact CG2-CG1 3.9Å | ||
| 1538 | D | 64.9 | Low | 83.7 | Confident | 57 Ų | 57 | 51.5 Ų | 51.5 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 144.4 | 177.5 | -79.7 | -31.1 | 0 | 0 | 0 | 113.2 | K362 E1536 | K362-D1538 IonicContact NZ-OD2 3.99Å; K362-D1538 PolarHBondContact NZ-OD2 2.67Å; E1536-D1538 VanDerWaalsContact C-N 3.28Å; E1536-D1538 PolarHBondContact O-N 3.45Å |
| 1539 | K | 65.8 | Low | 83.9 | Confident | 189 Ų | 189 | 50.9 Ų | 50.9 | 82% | 0.822 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 132.6 | 160.2 | -67.6 | -178.7 | -180 | 178.2 | 0 | 109.4 | ||
| 1540 | L | 69.6 | Low | 83.9 | Confident | 119 Ų | 119 | 51.2 Ų | 51.2 | 62% | 0.623 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 134.4 | 169.7 | -123.6 | 83.3 | 0 | 0 | 0 | 110.1 | D1567 | L1540-D1567 WeakPolarHBondContact CD1-OD1 3.42Å; L1540-D1567 WeakPolarHBondContact CD1-OD2 3.49Å; L1540-D1567 WeakPolarHBondContact CD2-OD2 3.35Å; L1540-D1567 WeakPolarHBondContact CG-OD2 3Å |
| 1541 | I | 79.2 | Confident | 83.7 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | trans | -122.2 | 113.4 | 172.1 | -59.8 | 177.9 | 0 | 0 | 0 | 107.7 | L359 I1543 T1565 S1566 | L359-I1541 HydrophobicContact CD1-CB 4.44Å; L359-I1541 HydrophobicContact CD1-CG2 4.46Å; L359-I1541 HydrophobicContact CD2-CG2 4.21Å; I1541-I1543 HydrophobicContact CG2-CD1 4.09Å; I1541-I1543 HydrophobicContact CG2-CG1 3.97Å; I1541-T1565 CarbonylContact O-C 3.54Å; I1541-T1565 WeakPolarHBondContact O-CA 3.4Å; I1541-S1566 PolarHBondContact N-OG 2.9Å; I1541-S1566 PolarHBondContact O-N 3.39Å | ||
| 1542 | K | 83.2 | Confident | 83.1 | Confident | 116 Ų | 116 | 52.6 Ų | 52.6 | 50% | 0.504 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.9 | 169.9 | -175.1 | 165.9 | -175 | 168.2 | 0 | 108.1 | N1563 F1564 T1565 D2338 | K1542-N1563 WeakPolarHBondContact CE-OD1 3.4Å; K1542-N1563 HydrophobicContact CG-CB 4.25Å; K1542-F1564 WeakPolarHBondContact CA-O 3.45Å; K1542-T1565 HydrophobicContact CB-CG2 4.29Å; K1542-T1565 HydrophobicContact CD-CG2 4.09Å; K1542-T1565 HydrophobicContact CG-CG2 3.91Å; K1542-D2338 IonicContact NZ-OD1 3.75Å |
| 1543 | I | 87.1 | Confident | 82.6 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121.4 | 177.7 | -59.8 | 176 | 0 | 0 | 0 | 107.9 | N355 L356 L359 I1541 N1563 F1564 | N355-I1543 HydrophobicContact CB-CD1 4.45Å; L356-I1543 HydrophobicContact CB-CD1 4.28Å; L356-I1543 HydrophobicContact CD1-CD1 4.14Å; L359-I1543 HydrophobicContact CD2-CD1 3.89Å; L359-I1543 HydrophobicContact CD2-CG1 4.29Å; I1541-I1543 HydrophobicContact CG2-CD1 4.09Å; I1541-I1543 HydrophobicContact CG2-CG1 3.97Å; I1543-N1563 CarbonylContact O-C 3.59Å; I1543-N1563 WeakPolarHBondContact O-CA 3.48Å; I1543-F1564 PolarHBondContact N-O 3.11Å; I1543-F1564 PolarHBondContact O-N 2.8Å |
| 1544 | T | 87.5 | Confident | 82.2 | Confident | 89 Ų | 89 | 53.8 Ų | 53.8 | 55% | 0.546 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.5 | 175 | -50.9 | 0 | 0 | 0 | 0 | 110.2 | H1561 N1563 | T1544-H1561 HydrophobicContact CG2-CB 4.34Å; T1544-N1563 WeakPolarHBondContact CB-OD1 3.38Å; T1544-N1563 PolarHBondContact OG1-OD1 2.87Å |
| 1545 | Y | 90.6 | Very high | 81.9 | Confident | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.035 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 108.9 | -172.4 | 177.9 | -105.7 | 0 | 0 | 0 | 111.3 | D249 Y251 N312 E315 M319 Y1547 H1561 T1562 F1564 | D249-Y1545 WeakPolarHBondContact CB-OH 3.41Å; D249-Y1545 WeakPolarHBondContact OD2-CE2 3.46Å; D249-Y1545 PolarHBondContact OD2-OH 3.16Å; Y251-Y1545 HydrophobicContact CE2-CE1 4.14Å; Y251-Y1545 PolarHBondContact OH-OH 3.01Å; Y251-Y1545 VanDerWaalsContact OH-OH 3.09Å; N312-Y1545 PolarHBondContact ND2-OH 2.86Å; E315-Y1545 HydrophobicContact CB-CD2 4.08Å; E315-Y1545 HydrophobicContact CB-CE1 4.11Å; E315-Y1545 HydrophobicContact CB-CE2 3.54Å; E315-Y1545 HydrophobicContact CG-CD2 3.88Å; E315-Y1545 HydrophobicContact CG-CE2 3.48Å; E315-Y1545 VanDerWaalsContact CG-CE2 3.48Å; M319-Y1545 HydrophobicContact CG-CD1 4.47Å; M319-Y1545 HydrophobicContact CG-CE1 4.48Å; M319-Y1545 HydrophobicContact SD-CD1 4.2Å; M319-Y1545 HydrophobicContact SD-CE1 3.97Å; Y1545-Y1547 AromaticContact CD1-CD1 3.71Å; Y1545-Y1547 HydrophobicContact CD1-CD1 3.71Å; Y1545-Y1547 HydrophobicContact CD1-CE1 4.41Å; Y1545-Y1547 HydrophobicContact CD1-CG 4.38Å; Y1545-Y1547 AromaticContact CE1-CD1 3.8Å; Y1545-Y1547 HydrophobicContact CE1-CD1 3.8Å; Y1545-Y1547 HydrophobicContact CE1-CG 4Å; Y1545-Y1547 WeakPolarHBondContact O-CD1 3.46Å; Y1545-H1561 CarbonylContact O-C 3.52Å; Y1545-H1561 WeakPolarHBondContact O-CA 3.4Å; Y1545-T1562 HydrophobicContact CD1-CG2 4.33Å; Y1545-T1562 PolarHBondContact N-O 3.37Å; Y1545-T1562 PolarHBondContact O-N 2.85Å; Y1545-F1564 HydrophobicContact CD1-CE2 4.15Å; Y1545-F1564 AromaticContact CD1-CZ 3.65Å; Y1545-F1564 HydrophobicContact CD1-CZ 3.65Å; Y1545-F1564 HydrophobicContact CD2-CE2 4.25Å; Y1545-F1564 HydrophobicContact CE1-CZ 4.44Å; Y1545-F1564 AromaticContact CG-CE2 3.74Å; Y1545-F1564 HydrophobicContact CG-CE2 3.74Å; Y1545-F1564 AromaticContact CG-CZ 3.72Å; Y1545-F1564 HydrophobicContact CG-CZ 3.72Å |
| 1546 | S | 89.2 | Confident | 82.1 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 145.8 | 175.1 | -32.9 | 0 | 0 | 0 | 0 | 112.5 | K239 L1560 | K239-S1546 WeakPolarHBondContact CE-O 3.37Å; K239-S1546 PolarHBondContact NZ-O 3.03Å; S1546-L1560 CarbonylContact C-O 3.46Å; S1546-L1560 WeakPolarHBondContact CA-O 3.45Å |
| 1547 | Y | 92.1 | Very high | 82.7 | Confident | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 156.9 | -178.9 | 58.9 | -75.4 | 0 | 0 | 0 | 111.8 | Y251 M319 Y1545 L1549 S1559 L1560 T1562 P2344 | Y251-Y1547 AromaticContact CD2-CD2 3.79Å; Y251-Y1547 HydrophobicContact CD2-CD2 3.79Å; Y251-Y1547 HydrophobicContact CD2-CG 4.19Å; Y251-Y1547 HydrophobicContact CE2-CD2 4.23Å; Y251-Y1547 HydrophobicContact CE2-CG 4.23Å; M319-Y1547 HydrophobicContact SD-CD1 4.15Å; M319-Y1547 HydrophobicContact SD-CD2 4.23Å; M319-Y1547 HydrophobicContact SD-CE1 3.98Å; M319-Y1547 HydrophobicContact SD-CE2 4.01Å; M319-Y1547 HydrophobicContact SD-CG 4.31Å; Y1545-Y1547 AromaticContact CD1-CD1 3.71Å; Y1545-Y1547 HydrophobicContact CD1-CD1 3.71Å; Y1545-Y1547 HydrophobicContact CD1-CE1 4.41Å; Y1545-Y1547 HydrophobicContact CD1-CG 4.38Å; Y1545-Y1547 AromaticContact CE1-CD1 3.8Å; Y1545-Y1547 HydrophobicContact CE1-CD1 3.8Å; Y1545-Y1547 HydrophobicContact CE1-CG 4Å; Y1545-Y1547 WeakPolarHBondContact O-CD1 3.46Å; Y1547-L1549 HydrophobicContact CD2-CB 4.22Å; Y1547-L1549 HydrophobicContact CE2-CB 4.01Å; Y1547-S1559 CarbonylContact O-C 3.56Å; Y1547-S1559 WeakPolarHBondContact O-CA 3.43Å; Y1547-L1560 HydrophobicContact CD1-CB 4.43Å; Y1547-L1560 HydrophobicContact CD2-CB 4.47Å; Y1547-L1560 HydrophobicContact CE1-CB 3.91Å; Y1547-L1560 HydrophobicContact CE2-CB 4.01Å; Y1547-L1560 HydrophobicContact CE2-CD1 3.89Å; Y1547-L1560 PolarHBondContact N-O 3.33Å; Y1547-L1560 PolarHBondContact O-N 3.27Å; Y1547-T1562 HydrophobicContact CE1-CG2 3.85Å; Y1547-P2344 WeakPolarHBondContact CE2-O 3.27Å; Y1547-P2344 VanDerWaalsContact OH-CA 3.31Å; Y1547-P2344 WeakPolarHBondContact OH-CA 3.46Å; Y1547-P2344 WeakPolarHBondContact OH-CB 3.27Å; Y1547-P2344 PolarHBondContact OH-O 3.2Å |
| 1548 | A | 91.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 120.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D249 F250 Y251 Y286 Y1557 | D249-A1548 PolarHBondContact O-N 3.16Å; F250-A1548 HydrophobicContact CD1-CB 3.56Å; F250-A1548 HydrophobicContact CE1-CB 3.57Å; F250-A1548 HydrophobicContact CG-CB 4.36Å; F250-A1548 HydrophobicContact CZ-CB 4.39Å; Y251-A1548 PolarHBondContact N-O 3.31Å; Y286-A1548 HydrophobicContact CE1-CB 4.32Å; A1548-Y1557 HydrophobicContact CB-CD1 4.3Å |
| 1549 | L | 91.7 | Very high | 84.1 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.2 | -178.8 | -177 | 69 | 0 | 0 | 0 | 111.6 | Y251 V253 Y1547 V1551 Y1557 V1558 L1560 L2345 K2347 | Y251-L1549 WeakPolarHBondContact O-CA 3.42Å; V253-L1549 HydrophobicContact CG2-CD1 4.01Å; Y1547-L1549 HydrophobicContact CD2-CB 4.22Å; Y1547-L1549 HydrophobicContact CE2-CB 4.01Å; L1549-V1551 HydrophobicContact CD2-CG1 3.73Å; L1549-V1551 HydrophobicContact CG-CG1 4.06Å; L1549-Y1557 CarbonylContact O-C 3.44Å; L1549-Y1557 WeakPolarHBondContact O-CA 3.34Å; L1549-V1558 PolarHBondContact N-O 3.24Å; L1549-V1558 PolarHBondContact O-N 3.02Å; L1549-L1560 HydrophobicContact CB-CD1 3.83Å; L1549-L1560 HydrophobicContact CD2-CD1 3.56Å; L1549-L1560 HydrophobicContact CG-CD1 4.34Å; L1549-L2345 HydrophobicContact CD1-CD2 4.25Å; L1549-K2347 HydrophobicContact CD2-CB 4.3Å |
| 1550 | Q | 91.3 | Very high | 85 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 104.5 | 163 | -168.2 | -177.6 | 8.6 | 0 | 0 | 109.5 | Y251 V253 A1554 Y1557 | Y251-Q1550 PolarHBondContact O-N 3.25Å; V253-Q1550 PolarHBondContact N-O 3.38Å; Q1550-A1554 HydrophobicContact CG-CB 4.48Å; Q1550-A1554 PolarHBondContact NE2-O 3.44Å; Q1550-Y1557 HydrophobicContact CB-CD1 3.55Å; Q1550-Y1557 HydrophobicContact CB-CD2 4.33Å; Q1550-Y1557 HydrophobicContact CB-CE1 3.67Å; Q1550-Y1557 HydrophobicContact CB-CE2 4.44Å; Q1550-Y1557 HydrophobicContact CB-CG 3.89Å |
| 1551 | V | 86.3 | Confident | 85.8 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | trans | -68.2 | 168.2 | 173.2 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | R252 L1549 A1554 K2347 I2349 | R252-V1551 PolarHBondContact NH1-O 3.28Å; L1549-V1551 HydrophobicContact CD2-CG1 3.73Å; L1549-V1551 HydrophobicContact CG-CG1 4.06Å; V1551-A1554 HydrophobicContact CG2-CB 3.58Å; V1551-K2347 HydrophobicContact CG1-CB 3.96Å; V1551-I2349 HydrophobicContact CG2-CG1 4.43Å | ||
| 1552 | P | 79.8 | Confident | 86.1 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 17% | 0.169 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 145.8 | 170.1 | -24.8 | 37.1 | 0 | 0 | 0 | 111 | V253 Q256 A1554 | V253-P1552 HydrophobicContact CB-CG 4.45Å; V253-P1552 HydrophobicContact CG1-CG 3.96Å; Q256-P1552 HydrophobicContact CB-CG 4.33Å; P1552-A1554 PolarHBondContact O-N 3.36Å |
| 1553 | D | 80.8 | Confident | 86.3 | Confident | 45 Ų | 45 | 41 Ų | 41 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 1.7 | 170.8 | -32.2 | -46.7 | 0 | 0 | 0 | 116.5 | R271 I2349 W2604 L2627 R2631 | R271-D1553 IonicContact NH2-OD1 3.34Å; D1553-I2349 HydrophobicContact CB-CD1 4.08Å; D1553-W2604 PolarHBondContact OD2-NE1 3.49Å; D1553-L2627 HydrophobicContact CB-CD2 4.36Å; D1553-R2631 PolarHBondContact O-NH1 3.15Å; D1553-R2631 PolarHBondContact O-NH2 3.36Å |
| 1554 | A | 79.7 | Confident | 86.4 | Confident | 21 Ų | 21 | 38.9 Ų | 38.9 | 17% | 0.174 | 22% | 0.219 | C | C | . | . | trans | -80.4 | 135.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1550 V1551 P1552 S1556 | Q1550-A1554 HydrophobicContact CG-CB 4.48Å; Q1550-A1554 PolarHBondContact NE2-O 3.44Å; V1551-A1554 HydrophobicContact CG2-CB 3.58Å; P1552-A1554 PolarHBondContact O-N 3.36Å; A1554-S1556 VanDerWaalsContact C-N 3.32Å; A1554-S1556 PolarHBondContact O-N 3.38Å | ||
| 1555 | K | 80.1 | Confident | 86.1 | Confident | 175 Ų | 175 | 36.6 Ų | 36.6 | 76% | 0.761 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -74.5 | -15.1 | -174.2 | -66.8 | -175.4 | 177.3 | -179.6 | 0 | 114.6 | ||
| 1556 | S | 84.5 | Confident | 85.2 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 46% | 0.462 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -156.6 | 156.9 | -171.7 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | A1554 | A1554-S1556 VanDerWaalsContact C-N 3.32Å; A1554-S1556 PolarHBondContact O-N 3.38Å |
| 1557 | Y | 88.8 | Confident | 83.8 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | trans | -63.4 | 154.8 | 165.8 | -66.9 | -90.7 | 0 | 0 | 0 | 111.8 | F250 N282 I283 Y286 A1548 L1549 Q1550 | F250-Y1557 HydrophobicContact CB-CE1 4.34Å; F250-Y1557 AromaticContact CD1-CD1 3.89Å; F250-Y1557 HydrophobicContact CD1-CD1 3.89Å; F250-Y1557 AromaticContact CD1-CE1 3.95Å; F250-Y1557 HydrophobicContact CD1-CE1 3.95Å; F250-Y1557 HydrophobicContact CD1-CG 4.21Å; N282-Y1557 HydrophobicContact CB-CE2 4.2Å; I283-Y1557 HydrophobicContact CB-CE2 4.47Å; I283-Y1557 HydrophobicContact CG1-CE2 3.59Å; I283-Y1557 WeakPolarHBondContact CG1-OH 3.46Å; Y286-Y1557 HydrophobicContact CG-CD2 4.45Å; A1548-Y1557 HydrophobicContact CB-CD1 4.3Å; L1549-Y1557 CarbonylContact O-C 3.44Å; L1549-Y1557 WeakPolarHBondContact O-CA 3.34Å; Q1550-Y1557 HydrophobicContact CB-CD1 3.55Å; Q1550-Y1557 HydrophobicContact CB-CD2 4.33Å; Q1550-Y1557 HydrophobicContact CB-CE1 3.67Å; Q1550-Y1557 HydrophobicContact CB-CE2 4.44Å; Q1550-Y1557 HydrophobicContact CB-CG 3.89Å | ||
| 1558 | V | 83.6 | Confident | 82.1 | Confident | 66 Ų | 66 | 36.6 Ų | 36.6 | 40% | 0.4 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 135.6 | 168.7 | -162.8 | 0 | 0 | 0 | 0 | 109.1 | L1549 K2347 | L1549-V1558 PolarHBondContact N-O 3.24Å; L1549-V1558 PolarHBondContact O-N 3.02Å; V1558-K2347 HydrophobicContact CB-CD 4.39Å |
| 1559 | S | 83.9 | Confident | 80.1 | Confident | 63 Ų | 63 | 37.5 Ų | 37.5 | 44% | 0.441 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 148.9 | 172.6 | -169.2 | 0 | 0 | 0 | 0 | 112 | Y1547 K2347 | Y1547-S1559 CarbonylContact O-C 3.56Å; Y1547-S1559 WeakPolarHBondContact O-CA 3.43Å; S1559-K2347 PolarHBondContact O-NZ 3.41Å |
| 1560 | L | 84.9 | Confident | 78.1 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 19% | 0.194 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 166.2 | -178.1 | -78.6 | -179.3 | 0 | 0 | 0 | 109.8 | S1546 Y1547 L1549 K2347 | S1546-L1560 CarbonylContact C-O 3.46Å; S1546-L1560 WeakPolarHBondContact CA-O 3.45Å; Y1547-L1560 HydrophobicContact CD1-CB 4.43Å; Y1547-L1560 HydrophobicContact CD2-CB 4.47Å; Y1547-L1560 HydrophobicContact CE1-CB 3.91Å; Y1547-L1560 HydrophobicContact CE2-CB 4.01Å; Y1547-L1560 HydrophobicContact CE2-CD1 3.89Å; Y1547-L1560 PolarHBondContact N-O 3.33Å; Y1547-L1560 PolarHBondContact O-N 3.27Å; L1549-L1560 HydrophobicContact CB-CD1 3.83Å; L1549-L1560 HydrophobicContact CD2-CD1 3.56Å; L1549-L1560 HydrophobicContact CG-CD1 4.34Å; L1560-K2347 HydrophobicContact CD1-CD 4.21Å; L1560-K2347 HydrophobicContact CD2-CD 4.04Å; L1560-K2347 HydrophobicContact CG-CD 4.28Å |
| 1561 | H | 85.4 | Confident | 76.5 | Confident | 100 Ų | 100 | 44.6 Ų | 44.6 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 152.3 | 166 | 56.2 | 54.8 | 0 | 0 | 0 | 110.9 | T1544 Y1545 | T1544-H1561 HydrophobicContact CG2-CB 4.34Å; Y1545-H1561 CarbonylContact O-C 3.52Å; Y1545-H1561 WeakPolarHBondContact O-CA 3.4Å |
| 1562 | T | 86 | Confident | 75.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 151.5 | 167.1 | -172 | 0 | 0 | 0 | 0 | 111.5 | M319 N322 Y1545 Y1547 F1564 D2341 P2344 | M319-T1562 HydrophobicContact CG-CG2 4.27Å; M319-T1562 HydrophobicContact SD-CG2 4.36Å; N322-T1562 PolarHBondContact ND2-OG1 3.15Å; Y1545-T1562 HydrophobicContact CD1-CG2 4.33Å; Y1545-T1562 PolarHBondContact N-O 3.37Å; Y1545-T1562 PolarHBondContact O-N 2.85Å; Y1547-T1562 HydrophobicContact CE1-CG2 3.85Å; T1562-F1564 HydrophobicContact CG2-CD1 4.38Å; T1562-F1564 HydrophobicContact CG2-CE1 3.69Å; T1562-F1564 HydrophobicContact CG2-CZ 4.25Å; T1562-D2341 WeakPolarHBondContact CA-OD1 3.37Å; T1562-D2341 WeakPolarHBondContact CB-OD1 3.43Å; T1562-D2341 WeakPolarHBondContact OG1-CA 3.3Å; T1562-D2341 PolarHBondContact OG1-OD1 2.86Å; T1562-P2344 HydrophobicContact CG2-CB 4.03Å |
| 1563 | N | 87.1 | Confident | 75.8 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139.3 | 173.4 | -53.9 | -71.8 | 0 | 0 | 0 | 112.1 | N322 K1542 I1543 T1544 D2341 | N322-N1563 PolarHBondContact ND2-O 2.88Å; K1542-N1563 WeakPolarHBondContact CE-OD1 3.4Å; K1542-N1563 HydrophobicContact CG-CB 4.25Å; I1543-N1563 CarbonylContact O-C 3.59Å; I1543-N1563 WeakPolarHBondContact O-CA 3.48Å; T1544-N1563 WeakPolarHBondContact CB-OD1 3.38Å; T1544-N1563 PolarHBondContact OG1-OD1 2.87Å; N1563-D2341 VanDerWaalsContact CB-OD2 3.26Å; N1563-D2341 WeakPolarHBondContact CB-OD2 3.47Å; N1563-D2341 VanDerWaalsContact N-CG 3.32Å; N1563-D2341 PolarHBondContact N-OD1 3.18Å; N1563-D2341 PolarHBondContact N-OD2 3.06Å; N1563-D2341 PolarHBondContact ND2-OD2 3.02Å |
| 1564 | F | 88.2 | Confident | 75.9 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115.8 | 165.4 | -51 | -35.9 | 0 | 0 | 0 | 108.3 | E315 N318 M319 L356 L359 K1542 I1543 Y1545 T1562 | E315-F1564 HydrophobicContact CB-CE2 4.33Å; N318-F1564 HydrophobicContact CB-CB 4.41Å; N318-F1564 HydrophobicContact CB-CD1 3.6Å; N318-F1564 HydrophobicContact CB-CD2 3.72Å; N318-F1564 HydrophobicContact CB-CE1 3.63Å; N318-F1564 HydrophobicContact CB-CE2 3.75Å; N318-F1564 HydrophobicContact CB-CG 3.65Å; N318-F1564 HydrophobicContact CB-CZ 3.7Å; M319-F1564 HydrophobicContact CG-CE1 3.8Å; M319-F1564 HydrophobicContact CG-CZ 3.83Å; L356-F1564 HydrophobicContact CD1-CD2 3.95Å; L356-F1564 HydrophobicContact CD1-CE2 4.4Å; L359-F1564 HydrophobicContact CD2-CB 3.67Å; K1542-F1564 WeakPolarHBondContact CA-O 3.45Å; I1543-F1564 PolarHBondContact N-O 3.11Å; I1543-F1564 PolarHBondContact O-N 2.8Å; Y1545-F1564 HydrophobicContact CD1-CE2 4.15Å; Y1545-F1564 AromaticContact CD1-CZ 3.65Å; Y1545-F1564 HydrophobicContact CD1-CZ 3.65Å; Y1545-F1564 HydrophobicContact CD2-CE2 4.25Å; Y1545-F1564 HydrophobicContact CE1-CZ 4.44Å; Y1545-F1564 AromaticContact CG-CE2 3.74Å; Y1545-F1564 HydrophobicContact CG-CE2 3.74Å; Y1545-F1564 AromaticContact CG-CZ 3.72Å; Y1545-F1564 HydrophobicContact CG-CZ 3.72Å; T1562-F1564 HydrophobicContact CG2-CD1 4.38Å; T1562-F1564 HydrophobicContact CG2-CE1 3.69Å; T1562-F1564 HydrophobicContact CG2-CZ 4.25Å |
| 1565 | T | 81.9 | Confident | 76.2 | Confident | 42 Ų | 42 | 49 Ų | 49 | 26% | 0.258 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 147.3 | -178.6 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | R363 I1541 K1542 D1567 | R363-T1565 WeakPolarHBondContact CD-O 3.25Å; R363-T1565 PolarHBondContact NE-O 3.36Å; I1541-T1565 CarbonylContact O-C 3.54Å; I1541-T1565 WeakPolarHBondContact O-CA 3.4Å; K1542-T1565 HydrophobicContact CB-CG2 4.29Å; K1542-T1565 HydrophobicContact CD-CG2 4.09Å; K1542-T1565 HydrophobicContact CG-CG2 3.91Å; T1565-D1567 PolarHBondContact O-N 3.48Å |
| 1566 | S | 72 | Confident | 76.5 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.028 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -67.6 | -9.5 | 174.2 | 48.9 | 0 | 0 | 0 | 0 | 114.7 | I1541 S1568 | I1541-S1566 PolarHBondContact N-OG 2.9Å; I1541-S1566 PolarHBondContact O-N 3.39Å; S1566-S1568 PolarHBondContact O-N 2.95Å |
| 1567 | D | 59.7 | Low | 76.7 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | trans | -103.1 | 88.3 | -157.3 | -58.9 | -12.9 | 0 | 0 | 0 | 110.7 | L1540 T1565 | L1540-D1567 WeakPolarHBondContact CD1-OD1 3.42Å; L1540-D1567 WeakPolarHBondContact CD1-OD2 3.49Å; L1540-D1567 WeakPolarHBondContact CD2-OD2 3.35Å; L1540-D1567 WeakPolarHBondContact CG-OD2 3Å; T1565-D1567 PolarHBondContact O-N 3.48Å | ||
| 1568 | S | 56 | Low | 76.7 | Confident | 17 Ų | 17 | 39.3 Ų | 39.3 | 12% | 0.119 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -112.1 | -15.1 | 177.9 | 90.5 | 0 | 0 | 0 | 0 | 114 | D366 S1566 K1597 | D366-S1568 WeakPolarHBondContact CB-OG 3.32Å; D366-S1568 PolarHBondContact OD2-OG 3.26Å; S1566-S1568 PolarHBondContact O-N 2.95Å; S1568-K1597 PolarHBondContact O-NZ 2.81Å |
| 1569 | T | 49.8 | Very low | 76.8 | Confident | 19 Ų | 19 | 38.6 Ų | 38.6 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -132.8 | -4.2 | -171.6 | 50 | 0 | 0 | 0 | 0 | 115 | D366 I1515 | D366-T1569 HydrophobicContact CB-CG2 4.43Å; I1515-T1569 HydrophobicContact CD1-CG2 3.65Å; I1515-T1569 HydrophobicContact CG1-CG2 4.19Å; I1515-T1569 HydrophobicContact CG2-CG2 4.45Å |
| 1570 | I | 50.5 | Low | 76.8 | Confident | 42 Ų | 42 | 35.6 Ų | 35.6 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -17.3 | -155.4 | -81.1 | 168.9 | 0 | 0 | 0 | 115.7 | ||
| 1571 | I | 58.2 | Low | 76.9 | Confident | 116 Ų | 116 | 33.9 Ų | 33.9 | 60% | 0.595 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121 | 26.3 | -167.9 | -31.4 | 177.9 | 0 | 0 | 0 | 113.1 | ||
| 1572 | L | 68.6 | Low | 76.8 | Confident | 23 Ų | 23 | 30 Ų | 30 | 12% | 0.12 | 16% | 0.159 | C | C | . | . | trans | -82.1 | 115.7 | 172.4 | -67.7 | 176.9 | 0 | 0 | 0 | 109.9 | Q1267 W1574 N1595 K1597 | Q1267-L1572 HydrophobicContact CB-CD1 4.32Å; Q1267-L1572 HydrophobicContact CG-CD1 4.4Å; L1572-W1574 HydrophobicContact CB-CD2 4.36Å; L1572-W1574 HydrophobicContact CB-CZ2 3.91Å; L1572-W1574 HydrophobicContact CD1-CH2 3.68Å; L1572-W1574 HydrophobicContact CD1-CZ2 3.34Å; L1572-W1574 HydrophobicContact CG-CZ2 4.26Å; L1572-W1574 PolarHBondContact O-N 3.09Å; L1572-W1574 PolarHBondContact O-NE1 2.96Å; L1572-N1595 WeakPolarHBondContact CD2-O 3.5Å; L1572-K1597 HydrophobicContact CD2-CB 4.17Å; L1572-K1597 HydrophobicContact CD2-CD 4.13Å; L1572-K1597 HydrophobicContact CD2-CG 3.85Å | ||
| 1573 | N | 80.8 | Confident | 76.2 | Confident | 72 Ų | 72 | 32.8 Ų | 32.8 | 39% | 0.385 | 17% | 0.174 | S | C | . | . | trans | -78.2 | 83.2 | 175.4 | -172.9 | -16.5 | 0 | 0 | 0 | 110.9 | N1575 Y1576 L1577 | N1573-N1575 VanDerWaalsContact C-N 3.33Å; N1573-N1575 PolarHBondContact O-N 3.17Å; N1573-Y1576 VanDerWaalsContact CG-CB 3.47Å; N1573-Y1576 PolarHBondContact O-N 3.1Å; N1573-Y1576 PolarHBondContact OD1-N 2.94Å; N1573-Y1576 VanDerWaalsContact OD1-N 3.09Å; N1573-L1577 PolarHBondContact O-N 3.18Å | ||
| 1574 | W | 84.4 | Confident | 75.7 | Confident | 27 Ų | 27 | 32.5 Ų | 32.5 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -36.7 | -176.1 | -62.4 | 102.5 | 0 | 0 | 0 | 114.3 | Y1220 R1264 Q1267 F1269 H1520 L1572 L1577 D1578 | Y1220-W1574 WeakPolarHBondContact OH-CB 3.39Å; R1264-W1574 HydrophobicContact CG-CE3 4.44Å; R1264-W1574 HydrophobicContact CG-CH2 4.17Å; R1264-W1574 HydrophobicContact CG-CZ3 3.86Å; Q1267-W1574 HydrophobicContact CB-CH2 4.04Å; Q1267-W1574 HydrophobicContact CG-CH2 4.35Å; F1269-W1574 HydrophobicContact CD2-CH2 4.28Å; F1269-W1574 AromaticContact CE2-CH2 3.55Å; F1269-W1574 HydrophobicContact CE2-CH2 3.55Å; F1269-W1574 AromaticContact CE2-CZ2 3.47Å; F1269-W1574 HydrophobicContact CE2-CZ2 3.47Å; F1269-W1574 VanDerWaalsContact CE2-CZ2 3.47Å; F1269-W1574 HydrophobicContact CZ-CH2 4.28Å; F1269-W1574 AromaticContact CZ-CZ2 3.9Å; F1269-W1574 HydrophobicContact CZ-CZ2 3.9Å; H1520-W1574 AromaticContact CE1-CD1 3.87Å; H1520-W1574 AromaticContact CE1-CD2 3.74Å; H1520-W1574 AromaticContact CE1-CE2 3.53Å; H1520-W1574 AromaticContact CE1-CG 3.97Å; H1520-W1574 AromaticContact CE1-CZ2 3.99Å; H1520-W1574 AromaticContact CE1-NE1 3.6Å; L1572-W1574 HydrophobicContact CB-CD2 4.36Å; L1572-W1574 HydrophobicContact CB-CZ2 3.91Å; L1572-W1574 HydrophobicContact CD1-CH2 3.68Å; L1572-W1574 HydrophobicContact CD1-CZ2 3.34Å; L1572-W1574 HydrophobicContact CG-CZ2 4.26Å; L1572-W1574 PolarHBondContact O-N 3.09Å; L1572-W1574 PolarHBondContact O-NE1 2.96Å; W1574-L1577 HydrophobicContact CE3-CD2 3.85Å; W1574-L1577 HydrophobicContact CZ3-CD2 3.88Å; W1574-L1577 PolarHBondContact O-N 2.89Å; W1574-D1578 PolarHBondContact O-N 3.04Å |
| 1575 | N | 86 | Confident | 74.8 | Confident | 78 Ų | 78 | 32.7 Ų | 32.7 | 42% | 0.417 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.9 | -175.9 | 18 | 0 | 0 | 0 | 110.6 | Y1220 N1573 D1578 N1579 | Y1220-N1575 HydrophobicContact CD2-CB 4.44Å; Y1220-N1575 HydrophobicContact CE2-CB 4.24Å; N1573-N1575 VanDerWaalsContact C-N 3.33Å; N1573-N1575 PolarHBondContact O-N 3.17Å; N1575-D1578 PolarHBondContact O-N 3.21Å; N1575-N1579 PolarHBondContact O-N 3.41Å; N1575-N1579 PolarHBondContact O-ND2 2.94Å; N1575-N1579 PolarHBondContact OD1-ND2 3.43Å |
| 1576 | Y | 86.2 | Confident | 74 | Confident | 39 Ų | 39 | 32.7 Ų | 32.7 | 15% | 0.153 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.2 | -42.4 | 174.5 | -174.6 | -81.4 | 0 | 0 | 0 | 112 | N1573 D1578 N1579 Y1580 F1590 R1591 L1593 L1596 | N1573-Y1576 VanDerWaalsContact CG-CB 3.47Å; N1573-Y1576 PolarHBondContact O-N 3.1Å; N1573-Y1576 PolarHBondContact OD1-N 2.94Å; N1573-Y1576 VanDerWaalsContact OD1-N 3.09Å; Y1576-D1578 PolarHBondContact O-N 3.32Å; Y1576-N1579 PolarHBondContact O-N 3.44Å; Y1576-Y1580 WeakPolarHBondContact O-CB 3.41Å; Y1576-Y1580 PolarHBondContact O-N 3.18Å; Y1576-F1590 AromaticContact CD2-CD1 3.9Å; Y1576-F1590 HydrophobicContact CD2-CD1 3.9Å; Y1576-F1590 HydrophobicContact CD2-CE1 4Å; Y1576-F1590 HydrophobicContact CE1-CD1 4.39Å; Y1576-F1590 AromaticContact CE2-CD1 3.69Å; Y1576-F1590 HydrophobicContact CE2-CD1 3.69Å; Y1576-F1590 HydrophobicContact CE2-CE1 4.14Å; Y1576-F1590 HydrophobicContact CG-CD1 4.36Å; Y1576-F1590 AromaticContact CZ-CD1 3.98Å; Y1576-F1590 WeakPolarHBondContact OH-CA 3.34Å; Y1576-R1591 VanDerWaalsContact CE1-O 3.25Å; Y1576-R1591 WeakPolarHBondContact CE1-O 3.46Å; Y1576-R1591 PolarHBondContact OH-N 3.19Å; Y1576-R1591 PolarHBondContact OH-O 3.44Å; Y1576-L1593 HydrophobicContact CD1-CD1 4.15Å; Y1576-L1593 HydrophobicContact CD2-CD1 4.22Å; Y1576-L1593 HydrophobicContact CE1-CD1 3.76Å; Y1576-L1593 HydrophobicContact CE1-CG 3.86Å; Y1576-L1593 HydrophobicContact CE2-CD1 3.84Å; Y1576-L1593 HydrophobicContact CG-CD1 4.35Å; Y1576-L1596 HydrophobicContact CD1-CD1 3.88Å; Y1576-L1596 HydrophobicContact CD1-CD2 4.16Å; Y1576-L1596 HydrophobicContact CE1-CD1 3.9Å |
| 1577 | L | 87.6 | Confident | 73.6 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 175.2 | 177.1 | 59.5 | 0 | 0 | 0 | 112 | N1573 W1574 N1579 Y1580 L1581 L1596 L2299 | N1573-L1577 PolarHBondContact O-N 3.18Å; W1574-L1577 HydrophobicContact CE3-CD2 3.85Å; W1574-L1577 HydrophobicContact CZ3-CD2 3.88Å; W1574-L1577 PolarHBondContact O-N 2.89Å; L1577-N1579 PolarHBondContact O-N 2.86Å; L1577-Y1580 HydrophobicContact CD1-CD1 4.32Å; L1577-Y1580 WeakPolarHBondContact O-CB 3.32Å; L1577-Y1580 PolarHBondContact O-N 3.44Å; L1577-L1581 HydrophobicContact CD1-CD1 4.43Å; L1577-L1581 HydrophobicContact CD1-CG 4.28Å; L1577-L1581 HydrophobicContact CG-CD1 4.27Å; L1577-L1581 WeakPolarHBondContact O-CG 3.41Å; L1577-L1581 PolarHBondContact O-N 2.7Å; L1577-L1596 HydrophobicContact CB-CD2 4.26Å; L1577-L2299 HydrophobicContact CD1-CD1 3.66Å |
| 1578 | D | 89.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.5 | -35.7 | -176.2 | -65.9 | -20.4 | 0 | 0 | 0 | 112.6 | Y1220 V1222 M1260 R1264 W1574 N1575 Y1576 L1581 C1582 | Y1220-D1578 WeakPolarHBondContact CE2-OD2 3.5Å; Y1220-D1578 PolarHBondContact OH-OD2 3.17Å; V1222-D1578 HydrophobicContact CG2-CB 3.92Å; M1260-D1578 HydrophobicContact CE-CB 4.25Å; M1260-D1578 VanDerWaalsContact CE-OD2 3.22Å; M1260-D1578 WeakPolarHBondContact CE-OD2 3.36Å; M1260-D1578 HydrophobicContact SD-CB 4.24Å; R1264-D1578 IonicContact CZ-OD1 3.76Å; R1264-D1578 VanDerWaalsContact CZ-OD1 3.27Å; R1264-D1578 IonicContact CZ-OD2 3.03Å; R1264-D1578 IonicContact NH1-OD1 2.79Å; R1264-D1578 PolarHBondContact NH1-OD1 2.82Å; R1264-D1578 IonicContact NH1-OD2 3.93Å; R1264-D1578 IonicContact NH2-OD1 3.59Å; R1264-D1578 PolarHBondContact NH2-OD1 3.08Å; R1264-D1578 IonicContact NH2-OD2 2.79Å; R1264-D1578 PolarHBondContact NH2-OD2 3.45Å; W1574-D1578 PolarHBondContact O-N 3.04Å; N1575-D1578 PolarHBondContact O-N 3.21Å; Y1576-D1578 PolarHBondContact O-N 3.32Å; D1578-L1581 PolarHBondContact O-N 3.38Å; D1578-C1582 PolarHBondContact O-N 3.46Å; D1578-C1582 PolarHBondContact O-SG 3.38Å |
| 1579 | N | 85.1 | Confident | 73.6 | Confident | 51 Ų | 51 | 37.9 Ų | 37.9 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.1 | -38.4 | 172.3 | -70.2 | -74.1 | 0 | 0 | 0 | 111.8 | N1575 Y1576 L1577 L1581 C1582 N1583 F1590 | N1575-N1579 PolarHBondContact O-N 3.41Å; N1575-N1579 PolarHBondContact O-ND2 2.94Å; N1575-N1579 PolarHBondContact OD1-ND2 3.43Å; Y1576-N1579 PolarHBondContact O-N 3.44Å; L1577-N1579 PolarHBondContact O-N 2.86Å; N1579-L1581 VanDerWaalsContact C-N 3.31Å; N1579-L1581 PolarHBondContact O-N 3.2Å; N1579-C1582 PolarHBondContact O-N 2.91Å; N1579-N1583 PolarHBondContact O-N 2.81Å; N1579-N1583 VanDerWaalsContact O-N 3.11Å; N1579-F1590 HydrophobicContact CB-CD1 4.2Å; N1579-F1590 HydrophobicContact CB-CE1 3.6Å; N1579-F1590 HydrophobicContact CB-CE2 4.22Å; N1579-F1590 HydrophobicContact CB-CZ 3.62Å |
| 1580 | Y | 85.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.6 | -43.1 | 169.8 | 164.5 | -84.7 | 0 | 0 | 0 | 111.6 | Y1576 L1577 N1583 R1584 G1585 F1590 L1592 W2277 H2279 L2299 | Y1576-Y1580 WeakPolarHBondContact O-CB 3.41Å; Y1576-Y1580 PolarHBondContact O-N 3.18Å; L1577-Y1580 HydrophobicContact CD1-CD1 4.32Å; L1577-Y1580 WeakPolarHBondContact O-CB 3.32Å; L1577-Y1580 PolarHBondContact O-N 3.44Å; Y1580-N1583 CarbonylContact O-C 3.25Å; Y1580-N1583 PolarHBondContact O-N 2.89Å; Y1580-R1584 WeakPolarHBondContact O-CA 3.41Å; Y1580-R1584 PolarHBondContact O-N 3.01Å; Y1580-G1585 VanDerWaalsContact CE2-CA 3.49Å; Y1580-G1585 PolarHBondContact O-N 3.17Å; Y1580-G1585 VanDerWaalsContact O-N 3.13Å; Y1580-F1590 WeakPolarHBondContact CD2-O 3.3Å; Y1580-L1592 HydrophobicContact CD2-CD2 4.34Å; Y1580-L1592 HydrophobicContact CE1-CD2 4.1Å; Y1580-L1592 HydrophobicContact CE2-CD2 3.66Å; Y1580-L1592 HydrophobicContact CE2-CG 4.03Å; Y1580-W2277 HydrophobicContact CE1-CZ2 4.41Å; Y1580-W2277 AromaticContact CZ-NE1 3.87Å; Y1580-W2277 PolarHBondContact OH-NE1 3.05Å; Y1580-H2279 AromaticContact CE2-NE2 3.74Å; Y1580-H2279 AromaticContact CZ-NE2 3.97Å; Y1580-H2279 PolarHBondContact OH-NE2 2.95Å; Y1580-L2299 HydrophobicContact CE1-CD1 4.12Å |
| 1581 | L | 86.6 | Confident | 75.3 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.5 | -39.1 | 177.4 | -69 | 174.2 | 0 | 0 | 0 | 112.4 | L1251 E1259 M1260 Q1263 L1577 D1578 N1579 N1583 W2277 V2300 | L1251-L1581 WeakPolarHBondContact CD1-O 3.48Å; E1259-L1581 HydrophobicContact CG-CD1 4.38Å; E1259-L1581 HydrophobicContact CG-CD2 3.95Å; M1260-L1581 HydrophobicContact CG-CD1 4.05Å; Q1263-L1581 HydrophobicContact CB-CD1 4.37Å; Q1263-L1581 HydrophobicContact CG-CD1 3.97Å; Q1263-L1581 HydrophobicContact CG-CD2 4.2Å; L1577-L1581 HydrophobicContact CD1-CD1 4.43Å; L1577-L1581 HydrophobicContact CD1-CG 4.28Å; L1577-L1581 HydrophobicContact CG-CD1 4.27Å; L1577-L1581 WeakPolarHBondContact O-CG 3.41Å; L1577-L1581 PolarHBondContact O-N 2.7Å; D1578-L1581 PolarHBondContact O-N 3.38Å; N1579-L1581 VanDerWaalsContact C-N 3.31Å; N1579-L1581 PolarHBondContact O-N 3.2Å; L1581-N1583 VanDerWaalsContact C-N 3.32Å; L1581-N1583 PolarHBondContact O-N 2.93Å; L1581-W2277 HydrophobicContact CD2-CH2 4.38Å; L1581-W2277 HydrophobicContact CD2-CZ2 4.24Å; L1581-V2300 HydrophobicContact CD2-CG2 3.49Å; L1581-V2300 VanDerWaalsContact CD2-CG2 3.49Å |
| 1582 | C | 82.1 | Confident | 76.2 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 14% | 0.135 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 174.4 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | V1222 P1224 D1578 N1579 | V1222-C1582 WeakPolarHBondContact CG1-SG 3.45Å; P1224-C1582 HydrophobicContact CB-CB 4.34Å; D1578-C1582 PolarHBondContact O-N 3.46Å; D1578-C1582 PolarHBondContact O-SG 3.38Å; N1579-C1582 PolarHBondContact O-N 2.91Å |
| 1583 | N | 74.5 | Confident | 76.6 | Confident | 58 Ų | 58 | 38.5 Ų | 38.5 | 31% | 0.31 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 2.7 | -174.4 | -67.5 | 10.6 | 0 | 0 | 0 | 114.1 | N1579 Y1580 L1581 G1585 I1586 S1587 | N1579-N1583 PolarHBondContact O-N 2.81Å; N1579-N1583 VanDerWaalsContact O-N 3.11Å; Y1580-N1583 CarbonylContact O-C 3.25Å; Y1580-N1583 PolarHBondContact O-N 2.89Å; L1581-N1583 VanDerWaalsContact C-N 3.32Å; L1581-N1583 PolarHBondContact O-N 2.93Å; N1583-G1585 PolarHBondContact O-N 3.05Å; N1583-I1586 PolarHBondContact O-N 2.88Å; N1583-S1587 PolarHBondContact ND2-OG 3.36Å |
| 1584 | R | 75.9 | Confident | 75.9 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 19.2 | -169.5 | -58.3 | -169.9 | -178.5 | 165.9 | 5.2 | 115.9 | R1249 L1251 Y1580 I1586 V2275 W2277 | R1249-R1584 PolarHBondContact O-NH1 3.02Å; R1249-R1584 PolarHBondContact O-NH2 3.46Å; L1251-R1584 HydrophobicContact CD1-CG 3.93Å; L1251-R1584 HydrophobicContact CG-CG 4.49Å; Y1580-R1584 WeakPolarHBondContact O-CA 3.41Å; Y1580-R1584 PolarHBondContact O-N 3.01Å; R1584-I1586 VanDerWaalsContact C-N 3.27Å; R1584-I1586 HydrophobicContact CB-CD1 4.16Å; R1584-I1586 HydrophobicContact CB-CG1 4.24Å; R1584-I1586 PolarHBondContact O-N 2.84Å; R1584-V2275 VanDerWaalsContact CZ-CG1 3.49Å; R1584-W2277 HydrophobicContact CB-CD2 4.25Å; R1584-W2277 HydrophobicContact CB-CH2 4.35Å; R1584-W2277 HydrophobicContact CB-CZ2 3.9Å; R1584-W2277 HydrophobicContact CG-CD2 4.35Å; R1584-W2277 HydrophobicContact CG-CE3 4.28Å; R1584-W2277 HydrophobicContact CG-CH2 3.83Å; R1584-W2277 HydrophobicContact CG-CZ2 3.9Å; R1584-W2277 HydrophobicContact CG-CZ3 4.03Å; R1584-W2277 PolarHBondContact O-NE1 3.05Å; R1584-W2277 VanDerWaalsContact O-NE1 3.09Å |
| 1585 | G | 69.9 | Low | 75.3 | Confident | 5 Ų | 5 | 42.3 Ų | 42.3 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 14.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y1580 N1583 | Y1580-G1585 VanDerWaalsContact CE2-CA 3.49Å; Y1580-G1585 PolarHBondContact O-N 3.17Å; Y1580-G1585 VanDerWaalsContact O-N 3.13Å; N1583-G1585 PolarHBondContact O-N 3.05Å |
| 1586 | I | 65 | Low | 74.9 | Confident | 43 Ų | 43 | 38.7 Ų | 38.7 | 22% | 0.221 | 21% | 0.211 | C | C | . | . | trans | -71.8 | -34.7 | -178.4 | -63.4 | 166.2 | 0 | 0 | 0 | 111.7 | N1583 R1584 V2121 N2124 L2263 | N1583-I1586 PolarHBondContact O-N 2.88Å; R1584-I1586 VanDerWaalsContact C-N 3.27Å; R1584-I1586 HydrophobicContact CB-CD1 4.16Å; R1584-I1586 HydrophobicContact CB-CG1 4.24Å; R1584-I1586 PolarHBondContact O-N 2.84Å; I1586-V2121 HydrophobicContact CG2-CG1 4.46Å; I1586-V2121 HydrophobicContact CG2-CG2 4.32Å; I1586-N2124 PolarHBondContact O-ND2 3.07Å; I1586-L2263 HydrophobicContact CD1-CD2 4.4Å; I1586-L2263 HydrophobicContact CG1-CD2 3.74Å | ||
| 1587 | S | 63.4 | Low | 74.5 | Confident | 32 Ų | 32 | 39.2 Ų | 39.2 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -79.1 | 129.7 | 179.2 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | N1583 S1589 F1590 | N1583-S1587 PolarHBondContact ND2-OG 3.36Å; S1587-S1589 PolarHBondContact O-N 3.05Å; S1587-F1590 PolarHBondContact O-N 3.21Å |
| 1588 | D | 56.8 | Low | 74.4 | Confident | 63 Ų | 63 | 39.6 Ų | 39.6 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -24.6 | -178.8 | -59.5 | -73.2 | 0 | 0 | 0 | 114.7 | F1590 R1591 S2120 N2124 | D1588-F1590 PolarHBondContact O-N 3.04Å; D1588-R1591 IonicContact OD1-CZ 2.72Å; D1588-R1591 IonicContact OD1-NH2 2.76Å; D1588-R1591 PolarHBondContact OD1-NH2 2.88Å; D1588-S2120 WeakPolarHBondContact OD2-CB 3.26Å; D1588-S2120 PolarHBondContact OD2-OG 2.88Å; D1588-N2124 PolarHBondContact OD1-ND2 2.62Å |
| 1589 | S | 59.9 | Low | 74.3 | Confident | 84 Ų | 84 | 40 Ų | 40 | 59% | 0.587 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10 | 174.2 | 61 | 0 | 0 | 0 | 0 | 115.1 | S1587 | S1587-S1589 PolarHBondContact O-N 3.05Š|
| 1590 | F | 64.9 | Low | 74.4 | Confident | 44 Ų | 44 | 39.5 Ų | 39.5 | 19% | 0.193 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -136 | 72.1 | -177.3 | -68.5 | -69.2 | 0 | 0 | 0 | 111.6 | Y1576 N1579 Y1580 S1587 D1588 | Y1576-F1590 AromaticContact CD2-CD1 3.9Å; Y1576-F1590 HydrophobicContact CD2-CD1 3.9Å; Y1576-F1590 HydrophobicContact CD2-CE1 4Å; Y1576-F1590 HydrophobicContact CE1-CD1 4.39Å; Y1576-F1590 AromaticContact CE2-CD1 3.69Å; Y1576-F1590 HydrophobicContact CE2-CD1 3.69Å; Y1576-F1590 HydrophobicContact CE2-CE1 4.14Å; Y1576-F1590 HydrophobicContact CG-CD1 4.36Å; Y1576-F1590 AromaticContact CZ-CD1 3.98Å; Y1576-F1590 WeakPolarHBondContact OH-CA 3.34Å; N1579-F1590 HydrophobicContact CB-CD1 4.2Å; N1579-F1590 HydrophobicContact CB-CE1 3.6Å; N1579-F1590 HydrophobicContact CB-CE2 4.22Å; N1579-F1590 HydrophobicContact CB-CZ 3.62Å; Y1580-F1590 WeakPolarHBondContact CD2-O 3.3Å; S1587-F1590 PolarHBondContact O-N 3.21Å; D1588-F1590 PolarHBondContact O-N 3.04Å |
| 1591 | R | 69.4 | Low | 74.6 | Confident | 86 Ų | 86 | 39.6 Ų | 39.6 | 33% | 0.325 | 21% | 0.212 | S | C | . | . | trans | -90.9 | 162.7 | 171.2 | -65.9 | -176.8 | 179.6 | 167.9 | 4.2 | 112.4 | Y1576 D1588 L1593 | Y1576-R1591 VanDerWaalsContact CE1-O 3.25Å; Y1576-R1591 WeakPolarHBondContact CE1-O 3.46Å; Y1576-R1591 PolarHBondContact OH-N 3.19Å; Y1576-R1591 PolarHBondContact OH-O 3.44Å; D1588-R1591 IonicContact OD1-CZ 2.72Å; D1588-R1591 IonicContact OD1-NH2 2.76Å; D1588-R1591 PolarHBondContact OD1-NH2 2.88Å; R1591-L1593 PolarHBondContact O-N 2.74Å; R1591-L1593 VanDerWaalsContact O-N 3.09Å | ||
| 1592 | L | 78.5 | Confident | 74.8 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | trans | -67.9 | 103.3 | 178.3 | -73.3 | -179.9 | 0 | 0 | 0 | 112.1 | Y1580 L1596 F1598 Q2297 L2299 | Y1580-L1592 HydrophobicContact CD2-CD2 4.34Å; Y1580-L1592 HydrophobicContact CE1-CD2 4.1Å; Y1580-L1592 HydrophobicContact CE2-CD2 3.66Å; Y1580-L1592 HydrophobicContact CE2-CG 4.03Å; L1592-L1596 HydrophobicContact CD2-CD1 4.43Å; L1592-F1598 HydrophobicContact CB-CD1 3.78Å; L1592-F1598 HydrophobicContact CB-CE1 3.85Å; L1592-F1598 HydrophobicContact CB-CG 4.24Å; L1592-F1598 HydrophobicContact CB-CZ 4.38Å; L1592-F1598 HydrophobicContact CD1-CB 4.15Å; L1592-F1598 HydrophobicContact CD1-CD1 4.41Å; L1592-F1598 HydrophobicContact CD1-CD2 4.2Å; L1592-F1598 HydrophobicContact CD1-CG 4.02Å; L1592-F1598 HydrophobicContact CD2-CB 4.17Å; L1592-F1598 HydrophobicContact CD2-CD1 4.37Å; L1592-F1598 HydrophobicContact CD2-CG 4.43Å; L1592-F1598 HydrophobicContact CG-CD1 4.42Å; L1592-F1598 HydrophobicContact CG-CG 4.48Å; L1592-Q2297 HydrophobicContact CD1-CB 3.84Å; L1592-L2299 HydrophobicContact CD2-CD1 3.67Å; L1592-L2299 HydrophobicContact CD2-CG 4.35Å | ||
| 1593 | L | 76.5 | Confident | 75.3 | Confident | 64 Ų | 64 | 39.2 Ų | 39.2 | 34% | 0.335 | 21% | 0.208 | S | C | . | . | trans | -81 | 143.7 | 176.2 | -60.8 | 176.5 | 0 | 0 | 0 | 111.4 | Y1576 R1591 N1595 L1596 F1598 | Y1576-L1593 HydrophobicContact CD1-CD1 4.15Å; Y1576-L1593 HydrophobicContact CD2-CD1 4.22Å; Y1576-L1593 HydrophobicContact CE1-CD1 3.76Å; Y1576-L1593 HydrophobicContact CE1-CG 3.86Å; Y1576-L1593 HydrophobicContact CE2-CD1 3.84Å; Y1576-L1593 HydrophobicContact CG-CD1 4.35Å; R1591-L1593 PolarHBondContact O-N 2.74Å; R1591-L1593 VanDerWaalsContact O-N 3.09Å; L1593-N1595 WeakPolarHBondContact CB-OD1 3.3Å; L1593-N1595 PolarHBondContact O-N 3.47Å; L1593-N1595 VanDerWaalsContact O-N 3.11Å; L1593-L1596 HydrophobicContact CB-CD1 4.4Å; L1593-L1596 HydrophobicContact CB-CG 4.19Å; L1593-L1596 WeakPolarHBondContact O-CB 3.24Å; L1593-L1596 WeakPolarHBondContact O-CG 3.39Å; L1593-L1596 PolarHBondContact O-N 2.98Å; L1593-F1598 WeakPolarHBondContact O-CE1 3.38Å | ||
| 1594 | P | 66.5 | Low | 76.2 | Confident | 112 Ų | 112 | 36.4 Ų | 36.4 | 73% | 0.727 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -57.2 | -29.2 | -178.9 | -27.7 | 35.6 | 0 | 0 | 0 | 114.5 | L1596 K1597 | P1594-L1596 PolarHBondContact O-N 2.96Å; P1594-K1597 PolarHBondContact O-N 2.88Å |
| 1595 | N | 71.4 | Confident | 77 | Confident | 66 Ų | 66 | 35.6 Ų | 35.6 | 35% | 0.353 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -74.6 | 4.1 | 176.2 | 71.1 | -12 | 0 | 0 | 0 | 114.2 | L1572 L1593 | L1572-N1595 WeakPolarHBondContact CD2-O 3.5Å; L1593-N1595 WeakPolarHBondContact CB-OD1 3.3Å; L1593-N1595 PolarHBondContact O-N 3.47Å; L1593-N1595 VanDerWaalsContact O-N 3.11Å |
| 1596 | L | 77.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -92.7 | -7.3 | 172.4 | -57.9 | -179.3 | 0 | 0 | 0 | 113.8 | Q1267 Y1576 L1577 L1592 L1593 P1594 F1598 | Q1267-L1596 PolarHBondContact NE2-O 3.3Å; Y1576-L1596 HydrophobicContact CD1-CD1 3.88Å; Y1576-L1596 HydrophobicContact CD1-CD2 4.16Å; Y1576-L1596 HydrophobicContact CE1-CD1 3.9Å; L1577-L1596 HydrophobicContact CB-CD2 4.26Å; L1592-L1596 HydrophobicContact CD2-CD1 4.43Å; L1593-L1596 HydrophobicContact CB-CD1 4.4Å; L1593-L1596 HydrophobicContact CB-CG 4.19Å; L1593-L1596 WeakPolarHBondContact O-CB 3.24Å; L1593-L1596 WeakPolarHBondContact O-CG 3.39Å; L1593-L1596 PolarHBondContact O-N 2.98Å; P1594-L1596 PolarHBondContact O-N 2.96Å; L1596-F1598 VanDerWaalsContact C-N 3.29Å; L1596-F1598 PolarHBondContact O-N 2.76Å |
| 1597 | K | 77.6 | Confident | 78.7 | Confident | 49 Ų | 49 | 33.9 Ų | 33.9 | 21% | 0.213 | 18% | 0.18 | C | C | . | . | trans | 49.5 | 44.4 | -174.8 | -62.7 | -172.9 | -179.9 | -167.5 | 0 | 114.1 | Q1267 S1568 L1572 P1594 | Q1267-K1597 PolarHBondContact NE2-O 3.35Å; S1568-K1597 PolarHBondContact O-NZ 2.81Å; L1572-K1597 HydrophobicContact CD2-CB 4.17Å; L1572-K1597 HydrophobicContact CD2-CD 4.13Å; L1572-K1597 HydrophobicContact CD2-CG 3.85Å; P1594-K1597 PolarHBondContact O-N 2.88Å | ||
| 1598 | F | 84.8 | Confident | 79.3 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 6% | 0.057 | 18% | 0.181 | C | C | . | . | trans | -62.3 | 151 | 168.3 | 60.8 | -95.4 | 0 | 0 | 0 | 111.1 | N328 L1592 L1593 L1596 R1600 Q2297 L2299 | N328-F1598 WeakPolarHBondContact CB-O 3.47Å; N328-F1598 PolarHBondContact ND2-O 2.91Å; L1592-F1598 HydrophobicContact CB-CD1 3.78Å; L1592-F1598 HydrophobicContact CB-CE1 3.85Å; L1592-F1598 HydrophobicContact CB-CG 4.24Å; L1592-F1598 HydrophobicContact CB-CZ 4.38Å; L1592-F1598 HydrophobicContact CD1-CB 4.15Å; L1592-F1598 HydrophobicContact CD1-CD1 4.41Å; L1592-F1598 HydrophobicContact CD1-CD2 4.2Å; L1592-F1598 HydrophobicContact CD1-CG 4.02Å; L1592-F1598 HydrophobicContact CD2-CB 4.17Å; L1592-F1598 HydrophobicContact CD2-CD1 4.37Å; L1592-F1598 HydrophobicContact CD2-CG 4.43Å; L1592-F1598 HydrophobicContact CG-CD1 4.42Å; L1592-F1598 HydrophobicContact CG-CG 4.48Å; L1593-F1598 WeakPolarHBondContact O-CE1 3.38Å; L1596-F1598 VanDerWaalsContact C-N 3.29Å; L1596-F1598 PolarHBondContact O-N 2.76Å; F1598-R1600 HydrophobicContact CD2-CB 4.38Å; F1598-R1600 HydrophobicContact CE2-CB 4.16Å; F1598-Q2297 HydrophobicContact CD2-CB 3.9Å; F1598-Q2297 HydrophobicContact CD2-CG 4.2Å; F1598-Q2297 HydrophobicContact CE2-CB 3.91Å; F1598-Q2297 VanDerWaalsContact CE2-CD 3.48Å; F1598-Q2297 HydrophobicContact CE2-CG 3.71Å; F1598-L2299 HydrophobicContact CB-CD1 4.29Å; F1598-L2299 HydrophobicContact CB-CD2 4.05Å; F1598-L2299 HydrophobicContact CB-CG 3.79Å | ||
| 1599 | W | 87.3 | Confident | 80 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 139.9 | 172.5 | -69.6 | -83.6 | 0 | 0 | 0 | 110.2 | Y109 Y327 N328 S1266 Q2297 W2298 L2299 | Y109-W1599 PolarHBondContact OH-NE1 3.26Å; Y327-W1599 HydrophobicContact CE2-CZ2 4.47Å; N328-W1599 CarbonylContact O-C 3.13Å; N328-W1599 VanDerWaalsContact O-CA 3.31Å; N328-W1599 WeakPolarHBondContact O-CA 3.39Å; S1266-W1599 WeakPolarHBondContact OG-CH2 3.13Å; W1599-Q2297 CarbonylContact O-C 3.56Å; W1599-Q2297 VanDerWaalsContact O-CA 3.29Å; W1599-Q2297 WeakPolarHBondContact O-CA 3.45Å; W1599-W2298 HydrophobicContact CB-CD2 3.62Å; W1599-W2298 HydrophobicContact CB-CE3 4.04Å; W1599-W2298 HydrophobicContact CB-CG 4.17Å; W1599-W2298 HydrophobicContact CB-CH2 3.89Å; W1599-W2298 HydrophobicContact CB-CZ2 3.47Å; W1599-W2298 VanDerWaalsContact CB-CZ2 3.47Å; W1599-W2298 HydrophobicContact CB-CZ3 4.15Å; W1599-W2298 AromaticContact CG-CE2 3.96Å; W1599-W2298 HydrophobicContact CG-CZ2 4.06Å; W1599-W2298 AromaticContact CG-NE1 3.93Å; W1599-W2298 PolarHBondContact N-O 2.8Å; W1599-W2298 PolarHBondContact O-N 2.86Å; W1599-L2299 HydrophobicContact CE3-CD2 4.35Å; W1599-L2299 HydrophobicContact CZ3-CD2 3.95Å |
| 1600 | R | 88.1 | Confident | 80.5 | Confident | 42 Ų | 42 | 30.6 Ų | 30.6 | 16% | 0.158 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.7 | 172.1 | 62.6 | 176.1 | 179.4 | 172.9 | 3.4 | 113.2 | N328 D330 R331 F1598 E2295 L2296 Q2297 C2329 Y2330 | N328-R1600 PolarHBondContact O-N 3.13Å; D330-R1600 PolarHBondContact N-O 3.33Å; R331-R1600 PolarHBondContact N-O 3.28Å; R331-R1600 VanDerWaalsContact N-O 3.16Å; F1598-R1600 HydrophobicContact CD2-CB 4.38Å; F1598-R1600 HydrophobicContact CE2-CB 4.16Å; R1600-E2295 HydrophobicContact CB-CG 4.4Å; R1600-E2295 VanDerWaalsContact CD-OE1 3.25Å; R1600-E2295 WeakPolarHBondContact CD-OE1 3.31Å; R1600-E2295 IonicContact NH1-OE1 3.87Å; R1600-L2296 CarbonylContact C-O 3.58Å; R1600-L2296 WeakPolarHBondContact CA-O 3.46Å; R1600-Q2297 HydrophobicContact CB-CG 4.23Å; R1600-C2329 VanDerWaalsContact CZ-SG 3.59Å; R1600-C2329 PolarHBondContact NE-SG 3.46Å; R1600-C2329 VanDerWaalsContact NE-SG 3.43Å; R1600-Y2330 PolarHBondContact NH2-OH 2.85Å; R1600-Y2330 VanDerWaalsContact NH2-OH 3.08Å |
| 1601 | S | 90.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 116.3 | 175.2 | -156.4 | 0 | 0 | 0 | 0 | 108.8 | R331 F1603 L2296 | R331-S1601 PolarHBondContact O-OG 2.85Å; S1601-F1603 WeakPolarHBondContact O-CD2 2.89Å; S1601-L2296 PolarHBondContact N-O 3.15Å; S1601-L2296 PolarHBondContact O-N 3.25Å |
| 1602 | R | 90.1 | Very high | 81.3 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 5% | 0.045 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 144.2 | -179.5 | -170.3 | -173.6 | -174.1 | -149.6 | 3.3 | 109.6 | F1604 S2293 I2294 E2295 P2326 V2327 D2489 | R1602-F1604 VanDerWaalsContact CZ-CE1 3.41Å; R1602-S2293 PolarHBondContact NE-OG 3.02Å; R1602-S2293 PolarHBondContact NH2-OG 3.49Å; R1602-I2294 CarbonylContact C-O 3.41Å; R1602-I2294 WeakPolarHBondContact CA-O 3.45Å; R1602-E2295 HydrophobicContact CB-CG 4.36Å; R1602-P2326 WeakPolarHBondContact O-CA 3.39Å; R1602-V2327 HydrophobicContact CB-CG2 4.06Å; R1602-V2327 WeakPolarHBondContact CB-O 3.43Å; R1602-V2327 HydrophobicContact CG-CG2 3.71Å; R1602-V2327 PolarHBondContact O-N 2.93Å; R1602-V2327 VanDerWaalsContact O-O 3.06Å; R1602-D2489 IonicContact CZ-OD1 2.76Å; R1602-D2489 IonicContact CZ-OD2 3.66Å; R1602-D2489 IonicContact NH1-OD1 2.71Å; R1602-D2489 PolarHBondContact NH1-OD1 3.3Å; R1602-D2489 IonicContact NH1-OD2 3.7Å; R1602-D2489 PolarHBondContact NH1-OD2 3.19Å; R1602-D2489 IonicContact NH2-OD1 2.86Å; R1602-D2489 PolarHBondContact NH2-OD1 3.42Å; R1602-D2489 IonicContact NH2-OD2 3.89Å |
| 1603 | F | 93.1 | Very high | 81.6 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 152.5 | -179.5 | -64.3 | -94.2 | 0 | 0 | 0 | 110 | F333 S1601 S2293 I2294 L2296 V2310 F2324 F2325 P2326 W2612 | F333-F1603 HydrophobicContact CE2-CZ 4.01Å; S1601-F1603 WeakPolarHBondContact O-CD2 2.89Å; F1603-S2293 WeakPolarHBondContact O-CA 3.43Å; F1603-I2294 PolarHBondContact N-O 2.99Å; F1603-I2294 PolarHBondContact O-N 2.98Å; F1603-L2296 HydrophobicContact CE2-CD1 4.01Å; F1603-V2310 HydrophobicContact CE1-CG1 3.72Å; F1603-V2310 HydrophobicContact CE2-CG2 4.23Å; F1603-V2310 HydrophobicContact CZ-CB 4.42Å; F1603-V2310 HydrophobicContact CZ-CG1 3.63Å; F1603-V2310 HydrophobicContact CZ-CG2 3.82Å; F1603-F2324 HydrophobicContact CB-CD2 4.13Å; F1603-F2324 HydrophobicContact CB-CE2 3.43Å; F1603-F2324 VanDerWaalsContact CB-CE2 3.43Å; F1603-F2324 HydrophobicContact CB-CZ 3.8Å; F1603-F2324 HydrophobicContact CD1-CD1 4.36Å; F1603-F2324 AromaticContact CD1-CE1 3.64Å; F1603-F2324 HydrophobicContact CD1-CE1 3.64Å; F1603-F2324 AromaticContact CD1-CE2 3.86Å; F1603-F2324 HydrophobicContact CD1-CE2 3.86Å; F1603-F2324 AromaticContact CD1-CZ 3.35Å; F1603-F2324 HydrophobicContact CD1-CZ 3.35Å; F1603-F2324 HydrophobicContact CD2-CE2 4.49Å; F1603-F2324 HydrophobicContact CD2-CZ 4.09Å; F1603-F2324 AromaticContact CE1-CE1 3.91Å; F1603-F2324 HydrophobicContact CE1-CE1 3.91Å; F1603-F2324 AromaticContact CE1-CZ 3.88Å; F1603-F2324 HydrophobicContact CE1-CZ 3.88Å; F1603-F2324 HydrophobicContact CG-CE1 4.25Å; F1603-F2324 AromaticContact CG-CE2 3.7Å; F1603-F2324 HydrophobicContact CG-CE2 3.7Å; F1603-F2324 AromaticContact CG-CZ 3.48Å; F1603-F2324 HydrophobicContact CG-CZ 3.48Å; F1603-F2324 VanDerWaalsContact CG-CZ 3.48Å; F1603-F2324 HydrophobicContact CZ-CZ 4.44Å; F1603-F2325 CarbonylContact C-O 3.6Å; F1603-F2325 VanDerWaalsContact CA-O 3.24Å; F1603-F2325 WeakPolarHBondContact CA-O 3.37Å; F1603-P2326 HydrophobicContact CD1-CB 4.07Å; F1603-P2326 HydrophobicContact CE1-CB 3.89Å; F1603-W2612 HydrophobicContact CD1-CH2 4.4Å; F1603-W2612 AromaticContact CE1-CH2 3.76Å; F1603-W2612 HydrophobicContact CE1-CH2 3.76Å; F1603-W2612 HydrophobicContact CE1-CZ2 4.03Å |
| 1604 | F | 92.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 147.1 | 166.6 | -71.8 | -21 | 0 | 0 | 0 | 111.9 | R1602 A2291 F2292 F2324 F2325 V2327 D2489 V2519 F2526 | R1602-F1604 VanDerWaalsContact CZ-CE1 3.41Å; F1604-A2291 HydrophobicContact CB-CB 4.44Å; F1604-A2291 HydrophobicContact CD1-CB 4.27Å; F1604-A2291 HydrophobicContact CD2-CB 4.06Å; F1604-A2291 HydrophobicContact CE2-CB 4.4Å; F1604-A2291 HydrophobicContact CG-CB 4.03Å; F1604-F2292 WeakPolarHBondContact CA-O 3.31Å; F1604-F2324 VanDerWaalsContact O-CA 3.3Å; F1604-F2324 WeakPolarHBondContact O-CA 3.38Å; F1604-F2325 HydrophobicContact CB-CD1 4.34Å; F1604-F2325 HydrophobicContact CB-CE1 3.67Å; F1604-F2325 HydrophobicContact CB-CE2 4.23Å; F1604-F2325 HydrophobicContact CB-CZ 3.62Å; F1604-F2325 HydrophobicContact CD2-CE2 4.21Å; F1604-F2325 AromaticContact CD2-CZ 3.89Å; F1604-F2325 HydrophobicContact CD2-CZ 3.89Å; F1604-F2325 HydrophobicContact CG-CZ 4.27Å; F1604-F2325 PolarHBondContact N-O 3.35Å; F1604-F2325 PolarHBondContact O-N 3.28Å; F1604-V2327 HydrophobicContact CB-CG1 4.29Å; F1604-V2327 HydrophobicContact CD1-CG2 3.94Å; F1604-V2327 HydrophobicContact CD2-CB 4.34Å; F1604-V2327 HydrophobicContact CD2-CG1 3.57Å; F1604-V2327 HydrophobicContact CD2-CG2 4.13Å; F1604-V2327 HydrophobicContact CE1-CG2 3.92Å; F1604-V2327 HydrophobicContact CE2-CB 4.35Å; F1604-V2327 HydrophobicContact CE2-CG1 3.98Å; F1604-V2327 HydrophobicContact CE2-CG2 4.12Å; F1604-V2327 HydrophobicContact CG-CG1 3.92Å; F1604-V2327 HydrophobicContact CG-CG2 4.01Å; F1604-V2327 HydrophobicContact CZ-CG2 3.98Å; F1604-D2489 HydrophobicContact CZ-CB 4.24Å; F1604-D2489 VanDerWaalsContact CZ-CG 3.45Å; F1604-D2489 WeakPolarHBondContact CZ-OD2 3.43Å; F1604-V2519 HydrophobicContact CD2-CB 4.31Å; F1604-V2519 HydrophobicContact CD2-CG1 4Å; F1604-V2519 HydrophobicContact CD2-CG2 4.26Å; F1604-V2519 HydrophobicContact CE2-CB 4.21Å; F1604-V2519 HydrophobicContact CE2-CG1 4.14Å; F1604-V2519 HydrophobicContact CE2-CG2 4.47Å; F1604-F2526 HydrophobicContact CE2-CE1 4.02Å |
| 1605 | V | 92.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.2 | 164.2 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | F1651 F1654 F2292 I2294 L2322 H2323 F2324 | V1605-F1651 HydrophobicContact CG1-CD2 4.34Å; V1605-F1651 HydrophobicContact CG1-CE2 4.42Å; V1605-F1654 HydrophobicContact CG2-CD1 4.42Å; V1605-F1654 HydrophobicContact CG2-CE1 3.64Å; V1605-F1654 HydrophobicContact CG2-CZ 3.97Å; V1605-F2292 HydrophobicContact CB-CB 4.3Å; V1605-F2292 HydrophobicContact CB-CD1 4.49Å; V1605-F2292 HydrophobicContact CG2-CD1 4.42Å; V1605-F2292 PolarHBondContact N-O 2.94Å; V1605-F2292 PolarHBondContact O-N 2.89Å; V1605-I2294 HydrophobicContact CG2-CD1 4.08Å; V1605-L2322 HydrophobicContact CG1-CB 3.96Å; V1605-L2322 HydrophobicContact CG1-CD1 3.96Å; V1605-L2322 HydrophobicContact CG1-CD2 4.23Å; V1605-L2322 HydrophobicContact CG1-CG 4.27Å; V1605-H2323 WeakPolarHBondContact CA-O 3.18Å; V1605-F2324 HydrophobicContact CG2-CD2 3.85Å |
| 1606 | I | 89.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 158.9 | 174.8 | 64 | -175.7 | 0 | 0 | 0 | 111.3 | A2291 H2323 F2325 I2487 C2521 | I1606-A2291 HydrophobicContact CG2-CB 3.83Å; I1606-H2323 HydrophobicContact CD1-CB 4.49Å; I1606-H2323 HydrophobicContact CG1-CB 3.79Å; I1606-H2323 PolarHBondContact N-O 2.87Å; I1606-H2323 VanDerWaalsContact N-O 3.08Å; I1606-H2323 PolarHBondContact O-N 3.41Å; I1606-F2325 HydrophobicContact CD1-CE1 3.55Å; I1606-F2325 HydrophobicContact CD1-CZ 3.97Å; I1606-F2325 HydrophobicContact CG1-CE1 3.81Å; I1606-F2325 HydrophobicContact CG2-CE1 4.31Å; I1606-I2487 HydrophobicContact CB-CD1 3.97Å; I1606-I2487 HydrophobicContact CD1-CD1 4.02Å; I1606-I2487 HydrophobicContact CG1-CD1 4.49Å; I1606-I2487 HydrophobicContact CG2-CD1 4.02Å; I1606-C2521 VanDerWaalsContact CD1-O 3.26Å; I1606-C2521 WeakPolarHBondContact CD1-O 3.39Å |
| 1607 | P | 82.2 | Confident | 83.6 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 7% | 0.065 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 145.1 | 171.7 | -21.1 | 33.4 | 0 | 0 | 0 | 112.4 | F1609 I1642 T1647 | P1607-F1609 HydrophobicContact CB-CE2 4.15Å; P1607-F1609 WeakPolarHBondContact O-CD2 3.4Å; P1607-F1609 PolarHBondContact O-N 2.9Å; P1607-I1642 HydrophobicContact CB-CD1 4.29Å; P1607-I1642 HydrophobicContact CG-CD1 4.49Å; P1607-T1647 HydrophobicContact CB-CG2 4.4Å; P1607-T1647 HydrophobicContact CG-CG2 4.07Å |
| 1608 | I | 75.8 | Confident | 83.9 | Confident | 47 Ų | 47 | 32.9 Ų | 32.9 | 24% | 0.241 | 15% | 0.153 | C | C | . | . | trans | -82.4 | 112.8 | 175.2 | -75 | 177.7 | 0 | 0 | 0 | 111.5 | S1610 N2321 H2323 L2616 | I1608-S1610 PolarHBondContact O-N 3.15Å; I1608-N2321 WeakPolarHBondContact CB-O 3.46Å; I1608-N2321 WeakPolarHBondContact CG1-O 3.24Å; I1608-N2321 PolarHBondContact N-O 2.66Å; I1608-H2323 HydrophobicContact CD1-CB 4.49Å; I1608-H2323 HydrophobicContact CG1-CB 3.82Å; I1608-L2616 HydrophobicContact CD1-CD1 3.9Å; I1608-L2616 HydrophobicContact CG1-CD1 4.34Å; I1608-L2616 HydrophobicContact CG2-CD1 4.23Å; I1608-L2616 HydrophobicContact CG2-CD2 3.77Å | ||
| 1609 | F | 72.5 | Confident | 83.9 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | trans | -91.8 | 61 | 170.5 | -67.3 | -93.1 | 0 | 0 | 0 | 110.9 | P1607 N1611 T1613 D1638 Y1639 I1642 I2487 C2521 | P1607-F1609 HydrophobicContact CB-CE2 4.15Å; P1607-F1609 WeakPolarHBondContact O-CD2 3.4Å; P1607-F1609 PolarHBondContact O-N 2.9Å; F1609-N1611 PolarHBondContact O-N 3.14Å; F1609-T1613 WeakPolarHBondContact O-CB 3.45Å; F1609-T1613 PolarHBondContact O-OG1 2.96Å; F1609-T1613 VanDerWaalsContact O-OG1 3.07Å; F1609-D1638 HydrophobicContact CD1-CB 3.65Å; F1609-D1638 HydrophobicContact CE1-CB 3.85Å; F1609-Y1639 HydrophobicContact CZ-CD1 4.36Å; F1609-Y1639 HydrophobicContact CZ-CE1 4.29Å; F1609-I1642 HydrophobicContact CE1-CD1 3.71Å; F1609-I1642 HydrophobicContact CE1-CG1 4.48Å; F1609-I1642 HydrophobicContact CE2-CD1 4.25Å; F1609-I1642 HydrophobicContact CZ-CD1 3.42Å; F1609-I1642 VanDerWaalsContact CZ-CD1 3.42Å; F1609-I2487 HydrophobicContact CE2-CD1 4.2Å; F1609-C2521 HydrophobicContact CB-CB 4.16Å; F1609-C2521 HydrophobicContact CD2-CB 3.54Å; F1609-C2521 HydrophobicContact CE2-CB 4.15Å; F1609-C2521 HydrophobicContact CG-CB 4.03Å | ||
| 1610 | S | 69 | Low | 83.8 | Confident | 49 Ų | 49 | 34.2 Ų | 34.2 | 34% | 0.343 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.7 | -31.4 | -161.9 | 54.6 | 0 | 0 | 0 | 0 | 116.3 | I1608 R1614 | I1608-S1610 PolarHBondContact O-N 3.15Å; S1610-R1614 WeakPolarHBondContact O-CB 3.48Å; S1610-R1614 PolarHBondContact O-N 3.07Å |
| 1611 | N | 73.9 | Confident | 83.5 | Confident | 117 Ų | 117 | 37 Ų | 37 | 63% | 0.626 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -85.8 | -56 | -161.5 | -64.6 | -7.3 | 0 | 0 | 0 | 111.3 | F1609 R1614 R1615 | F1609-N1611 PolarHBondContact O-N 3.14Å; N1611-R1614 PolarHBondContact O-N 2.95Å; N1611-R1615 VanDerWaalsContact O-CB 3.3Å; N1611-R1615 WeakPolarHBondContact O-CB 3.31Å; N1611-R1615 PolarHBondContact O-N 3.49Å |
| 1612 | E | 78.7 | Confident | 83.1 | Confident | 38 Ų | 38 | 38.4 Ų | 38.4 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.8 | -37.7 | -178.9 | -64.9 | -56.5 | 130.1 | 0 | 0 | 112.3 | R1614 R1615 L1616 V1634 Y1635 | E1612-R1614 VanDerWaalsContact C-N 3.32Å; E1612-R1614 PolarHBondContact O-N 3.13Å; E1612-R1615 VanDerWaalsContact CD-NH1 3.29Å; E1612-R1615 PolarHBondContact O-N 3.34Å; E1612-R1615 IonicContact OE1-CZ 3.89Å; E1612-R1615 IonicContact OE1-NH1 3.46Å; E1612-R1615 PolarHBondContact OE1-NH1 3.31Å; E1612-R1615 WeakPolarHBondContact OE2-CD 3.33Å; E1612-R1615 IonicContact OE2-CZ 2.95Å; E1612-R1615 IonicContact OE2-NE 3.61Å; E1612-R1615 IonicContact OE2-NH1 3.53Å; E1612-R1615 PolarHBondContact OE2-NH1 3.09Å; E1612-L1616 WeakPolarHBondContact O-CB 3.48Å; E1612-L1616 WeakPolarHBondContact O-CG 3.4Å; E1612-L1616 PolarHBondContact O-N 3.26Å; E1612-V1634 HydrophobicContact CB-CG2 4.36Å; E1612-Y1635 HydrophobicContact CB-CE1 4.3Å |
| 1613 | T | 83.1 | Confident | 82.6 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 174.2 | -52 | 0 | 0 | 0 | 0 | 112.1 | F1609 A1617 Y1635 C2521 L2616 F2622 | F1609-T1613 WeakPolarHBondContact O-CB 3.45Å; F1609-T1613 PolarHBondContact O-OG1 2.96Å; F1609-T1613 VanDerWaalsContact O-OG1 3.07Å; T1613-A1617 WeakPolarHBondContact O-CB 3.38Å; T1613-A1617 PolarHBondContact O-N 2.98Å; T1613-A1617 VanDerWaalsContact O-N 3.08Å; T1613-Y1635 WeakPolarHBondContact CA-OH 3.39Å; T1613-Y1635 WeakPolarHBondContact CB-OH 3.31Å; T1613-Y1635 WeakPolarHBondContact OG1-CE1 3.45Å; T1613-Y1635 PolarHBondContact OG1-OH 3.13Å; T1613-C2521 PolarHBondContact OG1-SG 2.92Å; T1613-C2521 VanDerWaalsContact OG1-SG 3.4Å; T1613-L2616 WeakPolarHBondContact CG2-O 3.41Å; T1613-F2622 HydrophobicContact CG2-CZ 4.28Å |
| 1614 | R | 81.5 | Confident | 81.5 | Confident | 92 Ų | 92 | 45.9 Ų | 45.9 | 35% | 0.347 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.5 | -43.9 | 175.5 | 179.9 | 178.2 | 170.2 | -154.9 | -15 | 111.7 | S1610 N1611 E1612 L1616 A1617 E1618 | S1610-R1614 WeakPolarHBondContact O-CB 3.48Å; S1610-R1614 PolarHBondContact O-N 3.07Å; N1611-R1614 PolarHBondContact O-N 2.95Å; E1612-R1614 VanDerWaalsContact C-N 3.32Å; E1612-R1614 PolarHBondContact O-N 3.13Å; R1614-L1616 PolarHBondContact O-N 2.7Å; R1614-A1617 PolarHBondContact O-N 2.94Å; R1614-E1618 HydrophobicContact CG-CG 4.39Å; R1614-E1618 IonicContact CZ-OE1 2.69Å; R1614-E1618 IonicContact NE-OE1 3.75Å; R1614-E1618 PolarHBondContact NE-OE1 3.25Å; R1614-E1618 IonicContact NE-OE2 2.68Å; R1614-E1618 IonicContact NH2-OE1 3.79Å; R1614-E1618 PolarHBondContact NH2-OE1 2.66Å; R1614-E1618 IonicContact NH2-OE2 2.8Å; R1614-E1618 WeakPolarHBondContact O-CG 3.48Å; R1614-E1618 PolarHBondContact O-N 3.01Å |
| 1615 | R | 83.8 | Confident | 80.2 | Confident | 157 Ų | 157 | 50.1 Ų | 50.1 | 59% | 0.592 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.3 | -42.5 | 179.7 | -175.9 | -170 | 178.6 | -178.2 | -6 | 111.8 | N1611 E1612 A1619 | N1611-R1615 VanDerWaalsContact O-CB 3.3Å; N1611-R1615 WeakPolarHBondContact O-CB 3.31Å; N1611-R1615 PolarHBondContact O-N 3.49Å; E1612-R1615 VanDerWaalsContact CD-NH1 3.29Å; E1612-R1615 PolarHBondContact O-N 3.34Å; E1612-R1615 IonicContact OE1-CZ 3.89Å; E1612-R1615 IonicContact OE1-NH1 3.46Å; E1612-R1615 PolarHBondContact OE1-NH1 3.31Å; E1612-R1615 WeakPolarHBondContact OE2-CD 3.33Å; E1612-R1615 IonicContact OE2-CZ 2.95Å; E1612-R1615 IonicContact OE2-NE 3.61Å; E1612-R1615 IonicContact OE2-NH1 3.53Å; E1612-R1615 PolarHBondContact OE2-NH1 3.09Å; R1615-A1619 VanDerWaalsContact O-CB 3.23Å; R1615-A1619 WeakPolarHBondContact O-CB 3.47Å; R1615-A1619 PolarHBondContact O-N 3.05Å |
| 1616 | L | 86.4 | Confident | 79.1 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 172.2 | -75.8 | 167.6 | 0 | 0 | 0 | 111.3 | E1612 R1614 E1618 A1619 I1620 I1630 C1632 V1634 Y1635 F2622 | E1612-L1616 WeakPolarHBondContact O-CB 3.48Å; E1612-L1616 WeakPolarHBondContact O-CG 3.4Å; E1612-L1616 PolarHBondContact O-N 3.26Å; R1614-L1616 PolarHBondContact O-N 2.7Å; L1616-E1618 PolarHBondContact O-N 3.49Å; L1616-A1619 PolarHBondContact O-N 2.72Å; L1616-I1620 WeakPolarHBondContact O-CB 3.48Å; L1616-I1620 VanDerWaalsContact O-CG1 3.24Å; L1616-I1620 WeakPolarHBondContact O-CG1 3.44Å; L1616-I1620 PolarHBondContact O-N 3.29Å; L1616-I1630 HydrophobicContact CD2-CG2 4.26Å; L1616-C1632 HydrophobicContact CD2-CB 4.47Å; L1616-V1634 HydrophobicContact CD1-CG2 3.83Å; L1616-V1634 HydrophobicContact CD2-CG2 4.41Å; L1616-V1634 HydrophobicContact CG-CG2 4.28Å; L1616-Y1635 HydrophobicContact CD1-CE2 3.67Å; L1616-F2622 HydrophobicContact CB-CD2 4.33Å; L1616-F2622 HydrophobicContact CB-CE2 3.84Å; L1616-F2622 HydrophobicContact CD1-CE2 4.43Å |
| 1617 | A | 83 | Confident | 78.2 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.3 | -40.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1613 R1614 R1621 F2622 | T1613-A1617 WeakPolarHBondContact O-CB 3.38Å; T1613-A1617 PolarHBondContact O-N 2.98Å; T1613-A1617 VanDerWaalsContact O-N 3.08Å; R1614-A1617 PolarHBondContact O-N 2.94Å; A1617-R1621 WeakPolarHBondContact O-CB 3.48Å; A1617-R1621 PolarHBondContact O-N 2.96Å; A1617-F2622 HydrophobicContact CB-CB 4.23Å; A1617-F2622 HydrophobicContact CB-CD2 3.85Å; A1617-F2622 HydrophobicContact CB-CG 4.27Å |
| 1618 | E | 84.1 | Confident | 77.8 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 33% | 0.327 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 173.9 | -72.5 | 178 | 173.2 | 0 | 0 | 111.3 | R1614 L1616 R1621 D1622 | R1614-E1618 HydrophobicContact CG-CG 4.39Å; R1614-E1618 IonicContact CZ-OE1 2.69Å; R1614-E1618 IonicContact NE-OE1 3.75Å; R1614-E1618 PolarHBondContact NE-OE1 3.25Å; R1614-E1618 IonicContact NE-OE2 2.68Å; R1614-E1618 IonicContact NH2-OE1 3.79Å; R1614-E1618 PolarHBondContact NH2-OE1 2.66Å; R1614-E1618 IonicContact NH2-OE2 2.8Å; R1614-E1618 WeakPolarHBondContact O-CG 3.48Å; R1614-E1618 PolarHBondContact O-N 3.01Å; L1616-E1618 PolarHBondContact O-N 3.49Å; E1618-R1621 PolarHBondContact O-N 2.94Å; E1618-D1622 PolarHBondContact O-N 3.04Å; E1618-D1622 VanDerWaalsContact O-N 3.1Å |
| 1619 | A | 85.5 | Confident | 78.1 | Confident | 33 Ų | 33 | 65 Ų | 65 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1615 L1616 R1621 D1622 N1623 I1630 | R1615-A1619 VanDerWaalsContact O-CB 3.23Å; R1615-A1619 WeakPolarHBondContact O-CB 3.47Å; R1615-A1619 PolarHBondContact O-N 3.05Å; L1616-A1619 PolarHBondContact O-N 2.72Å; A1619-R1621 VanDerWaalsContact C-N 3.29Å; A1619-R1621 PolarHBondContact O-N 2.84Å; A1619-D1622 PolarHBondContact O-N 2.83Å; A1619-N1623 WeakPolarHBondContact O-CB 3.41Å; A1619-N1623 PolarHBondContact O-N 3.27Å; A1619-I1630 HydrophobicContact CB-CD1 3.57Å; A1619-I1630 VanDerWaalsContact O-CD1 3.29Å; A1619-I1630 WeakPolarHBondContact O-CD1 3.36Å |
| 1620 | I | 84.8 | Confident | 78.8 | Confident | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.077 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.7 | -71.2 | 168.6 | 0 | 0 | 0 | 109.7 | L1616 N1623 H1624 I1630 L2621 F2622 | L1616-I1620 WeakPolarHBondContact O-CB 3.48Å; L1616-I1620 VanDerWaalsContact O-CG1 3.24Å; L1616-I1620 WeakPolarHBondContact O-CG1 3.44Å; L1616-I1620 PolarHBondContact O-N 3.29Å; I1620-N1623 PolarHBondContact O-N 3.16Å; I1620-H1624 WeakPolarHBondContact O-CB 3.19Å; I1620-H1624 PolarHBondContact O-N 2.71Å; I1620-I1630 HydrophobicContact CB-CD1 4.47Å; I1620-I1630 HydrophobicContact CG1-CB 4.33Å; I1620-I1630 HydrophobicContact CG1-CD1 3.96Å; I1620-I1630 HydrophobicContact CG1-CG1 4.46Å; I1620-L2621 WeakPolarHBondContact CG2-O 3.19Å; I1620-F2622 HydrophobicContact CD1-CD2 3.96Å; I1620-F2622 HydrophobicContact CD1-CE2 4.47Å |
| 1621 | R | 81.1 | Confident | 79.7 | Confident | 100 Ų | 100 | 68.6 Ų | 68.6 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 177.1 | -166.6 | -174.9 | -62.4 | 137.3 | -1.1 | 112.6 | A1617 E1618 A1619 D2619 L2621 | A1617-R1621 WeakPolarHBondContact O-CB 3.48Å; A1617-R1621 PolarHBondContact O-N 2.96Å; E1618-R1621 PolarHBondContact O-N 2.94Å; A1619-R1621 VanDerWaalsContact C-N 3.29Å; A1619-R1621 PolarHBondContact O-N 2.84Å; R1621-D2619 IonicContact CZ-OD2 3.61Å; R1621-D2619 IonicContact NE-OD2 2.73Å; R1621-D2619 PolarHBondContact NE-OD2 3.23Å; R1621-D2619 VanDerWaalsContact NE-OD2 3.12Å; R1621-D2619 IonicContact NH2-OD2 2.71Å; R1621-D2619 PolarHBondContact NH2-OD2 3.44Å; R1621-L2621 HydrophobicContact CG-CD1 4.23Å |
| 1622 | D | 81.3 | Confident | 80.5 | Confident | 31 Ų | 31 | 63 Ų | 63 | 17% | 0.166 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.7 | -34.1 | 178.4 | -79.3 | -8 | 0 | 0 | 0 | 113.1 | R802 E1618 A1619 | R802-D1622 PolarHBondContact NH2-O 2.84Å; E1618-D1622 PolarHBondContact O-N 3.04Å; E1618-D1622 VanDerWaalsContact O-N 3.1Å; A1619-D1622 PolarHBondContact O-N 2.83Å |
| 1623 | N | 79.8 | Confident | 80.9 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -90.7 | -13.3 | -179.8 | -77.2 | -30.7 | 0 | 0 | 0 | 114.6 | A1619 I1620 I1625 T1626 G1627 I1630 | A1619-N1623 WeakPolarHBondContact O-CB 3.41Å; A1619-N1623 PolarHBondContact O-N 3.27Å; I1620-N1623 PolarHBondContact O-N 3.16Å; N1623-I1625 PolarHBondContact O-N 3.01Å; N1623-T1626 WeakPolarHBondContact CA-OG1 3.4Å; N1623-T1626 WeakPolarHBondContact CB-OG1 3.39Å; N1623-T1626 CarbonylContact O-C 3.6Å; N1623-T1626 WeakPolarHBondContact O-CA 3.32Å; N1623-T1626 PolarHBondContact O-N 2.93Å; N1623-T1626 PolarHBondContact O-OG1 3.43Å; N1623-T1626 PolarHBondContact OD1-OG1 3.38Å; N1623-G1627 PolarHBondContact O-N 2.91Å; N1623-I1630 HydrophobicContact CB-CD1 4.07Å; N1623-I1630 HydrophobicContact CB-CG1 4.36Å; N1623-I1630 WeakPolarHBondContact ND2-CD1 3.28Å |
| 1624 | H | 71.3 | Confident | 81.1 | Confident | 125 Ų | 125 | 64.8 Ų | 64.8 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -19.9 | 166.2 | -168.6 | -72 | 0 | 0 | 0 | 112 | I1620 | I1620-H1624 WeakPolarHBondContact O-CB 3.19Å; I1620-H1624 PolarHBondContact O-N 2.71Å |
| 1625 | I | 64.9 | Low | 81.2 | Confident | 89 Ų | 89 | 60.4 Ų | 60.4 | 46% | 0.456 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -20.4 | 173.4 | -45.2 | -173.8 | 0 | 0 | 0 | 112.4 | I800 N1623 | I800-I1625 HydrophobicContact CB-CD1 3.7Å; I800-I1625 HydrophobicContact CD1-CD1 3.94Å; I800-I1625 HydrophobicContact CG1-CD1 3.79Å; I800-I1625 HydrophobicContact CG2-CD1 3.75Å; N1623-I1625 PolarHBondContact O-N 3.01Å |
| 1626 | T | 68.5 | Low | 80.9 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -23.2 | 174.2 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | N1623 Q1628 | N1623-T1626 WeakPolarHBondContact CA-OG1 3.4Å; N1623-T1626 WeakPolarHBondContact CB-OG1 3.39Å; N1623-T1626 CarbonylContact O-C 3.6Å; N1623-T1626 WeakPolarHBondContact O-CA 3.32Å; N1623-T1626 PolarHBondContact O-N 2.93Å; N1623-T1626 PolarHBondContact O-OG1 3.43Å; N1623-T1626 PolarHBondContact OD1-OG1 3.38Å; T1626-Q1628 VanDerWaalsContact OG1-CB 3.23Å; T1626-Q1628 WeakPolarHBondContact OG1-CB 3.34Å; T1626-Q1628 PolarHBondContact OG1-N 3.07Å; T1626-Q1628 VanDerWaalsContact OG1-N 3.14Å |
| 1627 | G | 71.1 | Confident | 80.2 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 74% | 0.742 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 10.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1623 | N1623-G1627 PolarHBondContact O-N 2.91Š|
| 1628 | Q | 74.6 | Confident | 79.5 | Confident | 133 Ų | 133 | 59.8 Ų | 59.8 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | trans | -87.7 | 122.2 | -176.3 | -165.2 | 167.9 | 7.8 | 0 | 0 | 111 | T1626 | T1626-Q1628 VanDerWaalsContact OG1-CB 3.23Å; T1626-Q1628 WeakPolarHBondContact OG1-CB 3.34Å; T1626-Q1628 PolarHBondContact OG1-N 3.07Å; T1626-Q1628 VanDerWaalsContact OG1-N 3.14Å | ||
| 1629 | R | 82.2 | Confident | 78.8 | Confident | 102 Ų | 102 | 58.1 Ų | 58.1 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | trans | -62.8 | 150.9 | 176 | -176.2 | 167.1 | 70.7 | -143 | 6.4 | 111.3 | D2629 E2637 D2638 | R1629-D2629 WeakPolarHBondContact CD-OD1 3.43Å; R1629-D2629 HydrophobicContact CG-CB 4.42Å; R1629-D2629 IonicContact NE-OD1 2.71Å; R1629-E2637 IonicContact CZ-OE2 2.85Å; R1629-E2637 IonicContact NH1-OE2 2.84Å; R1629-E2637 PolarHBondContact NH1-OE2 2.84Å; R1629-E2637 IonicContact NH2-OE2 3.88Å; R1629-E2637 PolarHBondContact NH2-OE2 2.96Å; R1629-D2638 IonicContact CZ-OD1 3.68Å; R1629-D2638 IonicContact CZ-OD2 2.62Å; R1629-D2638 IonicContact NE-OD2 3.89Å; R1629-D2638 IonicContact NH2-OD1 3.31Å; R1629-D2638 PolarHBondContact NH2-OD1 2.8Å; R1629-D2638 IonicContact NH2-OD2 3.77Å; R1629-D2638 PolarHBondContact NH2-OD2 3.25Å | ||
| 1630 | I | 85.9 | Confident | 78 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | trans | -123 | 132 | 176.4 | -55 | -169.5 | 0 | 0 | 0 | 109.2 | L1616 A1619 I1620 N1623 C1632 D2629 | L1616-I1630 HydrophobicContact CD2-CG2 4.26Å; A1619-I1630 HydrophobicContact CB-CD1 3.57Å; A1619-I1630 VanDerWaalsContact O-CD1 3.29Å; A1619-I1630 WeakPolarHBondContact O-CD1 3.36Å; I1620-I1630 HydrophobicContact CB-CD1 4.47Å; I1620-I1630 HydrophobicContact CG1-CB 4.33Å; I1620-I1630 HydrophobicContact CG1-CD1 3.96Å; I1620-I1630 HydrophobicContact CG1-CG1 4.46Å; N1623-I1630 HydrophobicContact CB-CD1 4.07Å; N1623-I1630 HydrophobicContact CB-CG1 4.36Å; N1623-I1630 WeakPolarHBondContact ND2-CD1 3.28Å; I1630-C1632 PolarHBondContact O-SG 2.7Å; I1630-D2629 WeakPolarHBondContact O-CB 3.46Å | ||
| 1631 | Q | 89.2 | Confident | 77.2 | Confident | 105 Ų | 105 | 68.8 Ų | 68.8 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | trans | -71.2 | 125.5 | 175.4 | -61.3 | -179.8 | -32.8 | 0 | 0 | 109.9 | D2629 | Q1631-D2629 WeakPolarHBondContact CA-OD2 3.38Š| ||
| 1632 | C | 89.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -108.1 | 1.2 | -172.4 | -62.6 | 0 | 0 | 0 | 0 | 114.2 | L1616 I1630 V1634 F2484 M2626 D2629 | L1616-C1632 HydrophobicContact CD2-CB 4.47Å; I1630-C1632 PolarHBondContact O-SG 2.7Å; C1632-V1634 PolarHBondContact O-N 2.91Å; C1632-F2484 HydrophobicContact CB-CD1 3.95Å; C1632-F2484 HydrophobicContact CB-CE1 3.92Å; C1632-M2626 HydrophobicContact CB-SD 3.58Å; C1632-M2626 VanDerWaalsContact CB-SD 3.58Å; C1632-D2629 HydrophobicContact CB-CB 4.38Å; C1632-D2629 PolarHBondContact N-OD2 3.39Å | ||
| 1633 | D | 87.9 | Confident | 76.7 | Confident | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | trans | -83 | 43.9 | -176.1 | 60.9 | -53.1 | 0 | 0 | 0 | 114.2 | R2483 F2484 R2640 | D1633-R2483 CarbonylContact C-O 3.56Å; D1633-R2483 WeakPolarHBondContact CA-O 3.3Å; D1633-R2483 HydrophobicContact CB-CB 4.08Å; D1633-R2483 IonicContact OD2-NH1 3.74Å; D1633-R2483 PolarHBondContact OD2-NH1 3.43Å; D1633-F2484 HydrophobicContact CB-CD1 4.42Å; D1633-F2484 HydrophobicContact CB-CD2 4.07Å; D1633-F2484 HydrophobicContact CB-CE1 4.12Å; D1633-F2484 HydrophobicContact CB-CE2 3.74Å; D1633-F2484 HydrophobicContact CB-CG 4.41Å; D1633-F2484 HydrophobicContact CB-CZ 3.78Å; D1633-R2640 IonicContact OD1-CZ 3.53Å; D1633-R2640 IonicContact OD1-NH1 3.86Å; D1633-R2640 PolarHBondContact OD1-NH1 2.85Å | ||
| 1634 | V | 86.5 | Confident | 76.7 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | trans | -99.6 | -5.8 | -169.3 | -60.5 | 0 | 0 | 0 | 0 | 115.6 | E1612 L1616 C1632 E1636 R2483 | E1612-V1634 HydrophobicContact CB-CG2 4.36Å; L1616-V1634 HydrophobicContact CD1-CG2 3.83Å; L1616-V1634 HydrophobicContact CD2-CG2 4.41Å; L1616-V1634 HydrophobicContact CG-CG2 4.28Å; C1632-V1634 PolarHBondContact O-N 2.91Å; V1634-E1636 VanDerWaalsContact C-N 3.34Å; V1634-E1636 PolarHBondContact O-N 2.84Å; V1634-R2483 PolarHBondContact N-O 3.24Å | ||
| 1635 | Y | 85 | Confident | 77.1 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2.7 | -168.4 | -67.4 | -84.1 | 0 | 0 | 0 | 115.5 | E1612 T1613 L1616 S1637 D1638 Y1639 R2483 G2485 H2520 C2521 | E1612-Y1635 HydrophobicContact CB-CE1 4.3Å; T1613-Y1635 WeakPolarHBondContact CA-OH 3.39Å; T1613-Y1635 WeakPolarHBondContact CB-OH 3.31Å; T1613-Y1635 WeakPolarHBondContact OG1-CE1 3.45Å; T1613-Y1635 PolarHBondContact OG1-OH 3.13Å; L1616-Y1635 HydrophobicContact CD1-CE2 3.67Å; Y1635-S1637 VanDerWaalsContact C-N 3.28Å; Y1635-S1637 PolarHBondContact O-N 3.38Å; Y1635-D1638 PolarHBondContact O-N 2.94Å; Y1635-Y1639 PolarHBondContact O-N 3.24Å; Y1635-R2483 WeakPolarHBondContact CB-O 3.47Å; Y1635-R2483 PolarHBondContact N-O 2.87Å; Y1635-G2485 VanDerWaalsContact CD2-CA 3.48Å; Y1635-H2520 AromaticContact CE2-NE2 3.72Å; Y1635-H2520 AromaticContact CZ-NE2 3.81Å; Y1635-C2521 WeakPolarHBondContact CE1-SG 3.36Å |
| 1636 | E | 76.9 | Confident | 77.9 | Confident | 53 Ų | 53 | 71 Ų | 71 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.2 | -38.8 | -178 | -169.6 | 172.9 | 177.9 | 0 | 0 | 112.4 | V1634 L1640 R2483 R2647 | V1634-E1636 VanDerWaalsContact C-N 3.34Å; V1634-E1636 PolarHBondContact O-N 2.84Å; E1636-L1640 HydrophobicContact CG-CD1 4.31Å; E1636-L1640 WeakPolarHBondContact O-CG 3.34Å; E1636-L1640 PolarHBondContact O-N 3.13Å; E1636-R2483 HydrophobicContact CB-CG 4.32Å; E1636-R2483 IonicContact OE2-CZ 3.44Å; E1636-R2483 IonicContact OE2-NE 3.66Å; E1636-R2483 PolarHBondContact OE2-NE 3.48Å; E1636-R2483 IonicContact OE2-NH2 2.7Å; E1636-R2483 PolarHBondContact OE2-NH2 3.4Å; E1636-R2647 IonicContact OE1-CZ 2.77Å; E1636-R2647 VanDerWaalsContact OE1-CZ 3.23Å; E1636-R2647 IonicContact OE1-NH1 2.65Å; E1636-R2647 PolarHBondContact OE1-NH1 3.37Å; E1636-R2647 IonicContact OE1-NH2 3.85Å; E1636-R2647 PolarHBondContact OE1-NH2 3.14Å; E1636-R2647 IonicContact OE2-CZ 2.75Å; E1636-R2647 IonicContact OE2-NH1 3.89Å; E1636-R2647 IonicContact OE2-NH2 3.81Å |
| 1637 | S | 70.7 | Confident | 78.7 | Confident | 61 Ų | 61 | 68.7 Ų | 68.7 | 43% | 0.427 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -71.2 | -36.8 | 179.8 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | Y1635 L1640 N1641 | Y1635-S1637 VanDerWaalsContact C-N 3.28Å; Y1635-S1637 PolarHBondContact O-N 3.38Å; S1637-L1640 PolarHBondContact O-N 3.03Å; S1637-N1641 WeakPolarHBondContact O-CB 3.18Å; S1637-N1641 PolarHBondContact O-N 3.12Å; S1637-N1641 PolarHBondContact O-ND2 2.79Å |
| 1638 | D | 69.6 | Low | 79.6 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 25% | 0.246 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.5 | -38.9 | -179.3 | -79.6 | 8.5 | 0 | 0 | 0 | 110.6 | F1609 Y1635 L1640 N1641 I1642 | F1609-D1638 HydrophobicContact CD1-CB 3.65Å; F1609-D1638 HydrophobicContact CE1-CB 3.85Å; Y1635-D1638 PolarHBondContact O-N 2.94Å; D1638-L1640 PolarHBondContact O-N 2.74Å; D1638-N1641 PolarHBondContact O-N 3.26Å; D1638-I1642 PolarHBondContact O-N 3.44Å |
| 1639 | Y | 68.5 | Low | 80.1 | Confident | 35 Ų | 35 | 63.9 Ų | 63.9 | 14% | 0.137 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 175 | -100.5 | -61.7 | 0 | 0 | 0 | 113.1 | F1609 Y1635 N1641 R2482 F2486 I2487 | F1609-Y1639 HydrophobicContact CZ-CD1 4.36Å; F1609-Y1639 HydrophobicContact CZ-CE1 4.29Å; Y1635-Y1639 PolarHBondContact O-N 3.24Å; Y1639-N1641 VanDerWaalsContact C-N 3.25Å; Y1639-N1641 PolarHBondContact O-N 3.4Å; Y1639-R2482 HydrophobicContact CD2-CB 4.45Å; Y1639-R2482 HydrophobicContact CE2-CB 4.29Å; Y1639-R2482 HydrophobicContact CE2-CG 4.46Å; Y1639-F2486 VanDerWaalsContact OH-C 3.3Å; Y1639-F2486 PolarHBondContact OH-O 2.92Å; Y1639-I2487 WeakPolarHBondContact OH-CA 3.24Å; Y1639-I2487 WeakPolarHBondContact OH-CG1 3.43Å |
| 1640 | L | 68.7 | Low | 80.5 | Confident | 139 Ų | 139 | 62.4 Ų | 62.4 | 73% | 0.728 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.9 | -21.3 | 180 | -69 | 169.5 | 0 | 0 | 0 | 113.1 | E1636 S1637 D1638 | E1636-L1640 HydrophobicContact CG-CD1 4.31Å; E1636-L1640 WeakPolarHBondContact O-CG 3.34Å; E1636-L1640 PolarHBondContact O-N 3.13Å; S1637-L1640 PolarHBondContact O-N 3.03Å; D1638-L1640 PolarHBondContact O-N 2.74Å |
| 1641 | N | 69.1 | Low | 80.8 | Confident | 132 Ų | 132 | 60.8 Ų | 60.8 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 8.5 | -176.7 | -70.8 | -63.1 | 0 | 0 | 0 | 114.3 | S1637 D1638 Y1639 N1643 | S1637-N1641 WeakPolarHBondContact O-CB 3.18Å; S1637-N1641 PolarHBondContact O-N 3.12Å; S1637-N1641 PolarHBondContact O-ND2 2.79Å; D1638-N1641 PolarHBondContact O-N 3.26Å; Y1639-N1641 VanDerWaalsContact C-N 3.25Å; Y1639-N1641 PolarHBondContact O-N 3.4Å; N1641-N1643 PolarHBondContact O-N 2.79Å |
| 1642 | I | 72 | Confident | 80.8 | Confident | 42 Ų | 42 | 56 Ų | 56 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | trans | -65.3 | 116.7 | 174.1 | -87.5 | 177 | 0 | 0 | 0 | 110.4 | P1607 F1609 D1638 R1644 | P1607-I1642 HydrophobicContact CB-CD1 4.29Å; P1607-I1642 HydrophobicContact CG-CD1 4.49Å; F1609-I1642 HydrophobicContact CE1-CD1 3.71Å; F1609-I1642 HydrophobicContact CE1-CG1 4.48Å; F1609-I1642 HydrophobicContact CE2-CD1 4.25Å; F1609-I1642 HydrophobicContact CZ-CD1 3.42Å; F1609-I1642 VanDerWaalsContact CZ-CD1 3.42Å; D1638-I1642 PolarHBondContact O-N 3.44Å; I1642-R1644 HydrophobicContact CG2-CG 4.24Å; I1642-R1644 PolarHBondContact O-N 3.21Å | ||
| 1643 | N | 79.6 | Confident | 80.8 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | trans | -71.4 | 101.8 | 164.5 | -178.2 | -75.5 | 0 | 0 | 0 | 108.5 | N1641 K1646 T1647 | N1641-N1643 PolarHBondContact O-N 2.79Å; N1643-K1646 WeakPolarHBondContact OD1-CB 3.47Å; N1643-K1646 VanDerWaalsContact OD1-CG 3.25Å; N1643-K1646 WeakPolarHBondContact OD1-CG 3.44Å; N1643-K1646 PolarHBondContact OD1-N 3Å; N1643-T1647 PolarHBondContact O-N 3.29Å; N1643-T1647 PolarHBondContact O-OG1 2.68Å | ||
| 1644 | R | 79.7 | Confident | 81 | Confident | 90 Ų | 90 | 60 Ų | 60 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -61 | -45 | -175.8 | -75.6 | 175.2 | 149.5 | 169.8 | -10.3 | 112.1 | I1642 T1647 C1648 P2288 | I1642-R1644 HydrophobicContact CG2-CG 4.24Å; I1642-R1644 PolarHBondContact O-N 3.21Å; R1644-T1647 WeakPolarHBondContact O-CA 3.39Å; R1644-T1647 WeakPolarHBondContact O-CB 3.45Å; R1644-T1647 PolarHBondContact O-N 2.97Å; R1644-C1648 PolarHBondContact O-N 3.18Å; R1644-C1648 PolarHBondContact O-SG 3.04Å; R1644-C1648 VanDerWaalsContact O-SG 3.36Å; R1644-P2288 HydrophobicContact CB-CG 4.44Å; R1644-P2288 HydrophobicContact CG-CB 4.32Å |
| 1645 | E | 79.2 | Confident | 81.3 | Confident | 118 Ų | 118 | 57.6 Ų | 57.6 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57 | -55.8 | -179.1 | -59.5 | 166.9 | 142.4 | 0 | 0 | 112.2 | T1647 C1648 E1649 | E1645-T1647 PolarHBondContact O-N 2.97Å; E1645-C1648 WeakPolarHBondContact O-CA 3.37Å; E1645-C1648 WeakPolarHBondContact O-CB 3.38Å; E1645-C1648 PolarHBondContact O-N 3.27Å; E1645-E1649 PolarHBondContact O-N 3.26Å |
| 1646 | K | 82.6 | Confident | 81.5 | Confident | 116 Ų | 116 | 58.5 Ų | 58.5 | 50% | 0.504 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -6.4 | 176.7 | -68.6 | 174 | 177.4 | 169.6 | 0 | 113.7 | N1643 E1649 K1650 | N1643-K1646 WeakPolarHBondContact OD1-CB 3.47Å; N1643-K1646 VanDerWaalsContact OD1-CG 3.25Å; N1643-K1646 WeakPolarHBondContact OD1-CG 3.44Å; N1643-K1646 PolarHBondContact OD1-N 3Å; K1646-E1649 WeakPolarHBondContact CA-OE2 3.44Å; K1646-E1649 WeakPolarHBondContact CG-OE2 3.34Å; K1646-K1650 WeakPolarHBondContact O-CD 3.13Å; K1646-K1650 WeakPolarHBondContact O-CE 3.24Å; K1646-K1650 VanDerWaalsContact O-CG 3.25Å; K1646-K1650 WeakPolarHBondContact O-CG 3.43Å; K1646-K1650 PolarHBondContact O-NZ 3Å |
| 1647 | T | 85.5 | Confident | 81.9 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -91.2 | -40.2 | 170.9 | -53.2 | 0 | 0 | 0 | 0 | 109.7 | P1607 N1643 R1644 E1645 K1650 F1651 P2288 | P1607-T1647 HydrophobicContact CB-CG2 4.4Å; P1607-T1647 HydrophobicContact CG-CG2 4.07Å; N1643-T1647 PolarHBondContact O-N 3.29Å; N1643-T1647 PolarHBondContact O-OG1 2.68Å; R1644-T1647 WeakPolarHBondContact O-CA 3.39Å; R1644-T1647 WeakPolarHBondContact O-CB 3.45Å; R1644-T1647 PolarHBondContact O-N 2.97Å; E1645-T1647 PolarHBondContact O-N 2.97Å; T1647-K1650 PolarHBondContact O-N 2.97Å; T1647-F1651 PolarHBondContact O-N 3.36Å; T1647-F1651 VanDerWaalsContact O-N 3.08Å; T1647-P2288 HydrophobicContact CG2-CB 4.34Å |
| 1648 | C | 88.1 | Confident | 82.7 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.034 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 170.6 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | R1644 E1645 K1650 F1651 V1652 I2131 P2288 | R1644-C1648 PolarHBondContact O-N 3.18Å; R1644-C1648 PolarHBondContact O-SG 3.04Å; R1644-C1648 VanDerWaalsContact O-SG 3.36Å; E1645-C1648 WeakPolarHBondContact O-CA 3.37Å; E1645-C1648 WeakPolarHBondContact O-CB 3.38Å; E1645-C1648 PolarHBondContact O-N 3.27Å; C1648-K1650 VanDerWaalsContact C-N 3.27Å; C1648-K1650 PolarHBondContact O-N 3.36Å; C1648-F1651 WeakPolarHBondContact O-CA 3.47Å; C1648-F1651 WeakPolarHBondContact O-CB 3.42Å; C1648-F1651 PolarHBondContact O-N 2.92Å; C1648-V1652 WeakPolarHBondContact O-CG2 3.42Å; C1648-V1652 PolarHBondContact O-N 3.02Å; C1648-I2131 HydrophobicContact CB-CG2 4.16Å; C1648-P2288 VanDerWaalsContact SG-CG 3.59Å |
| 1649 | E | 87.1 | Confident | 83.6 | Confident | 98 Ų | 98 | 53.2 Ų | 53.2 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -52.4 | -45.3 | 176.9 | -68.2 | 176.5 | 147.1 | 0 | 0 | 112.1 | E1645 K1646 V1652 H1653 | E1645-E1649 PolarHBondContact O-N 3.26Å; K1646-E1649 WeakPolarHBondContact CA-OE2 3.44Å; K1646-E1649 WeakPolarHBondContact CG-OE2 3.34Å; E1649-V1652 PolarHBondContact O-N 3.49Å; E1649-H1653 PolarHBondContact O-N 3.08Å |
| 1650 | K | 89.4 | Confident | 84.1 | Confident | 71 Ų | 71 | 57.6 Ų | 57.6 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.6 | -34.9 | 179.1 | -70.9 | 172.3 | -158.7 | 145.5 | 0 | 112.4 | K1646 T1647 C1648 F1654 A2320 N2321 | K1646-K1650 WeakPolarHBondContact O-CD 3.13Å; K1646-K1650 WeakPolarHBondContact O-CE 3.24Å; K1646-K1650 VanDerWaalsContact O-CG 3.25Å; K1646-K1650 WeakPolarHBondContact O-CG 3.43Å; K1646-K1650 PolarHBondContact O-NZ 3Å; T1647-K1650 PolarHBondContact O-N 2.97Å; C1648-K1650 VanDerWaalsContact C-N 3.27Å; C1648-K1650 PolarHBondContact O-N 3.36Å; K1650-F1654 PolarHBondContact O-N 3.37Å; K1650-F1654 VanDerWaalsContact O-N 3.17Å; K1650-A2320 HydrophobicContact CB-CB 4.18Å; K1650-A2320 VanDerWaalsContact CB-O 3.32Å; K1650-A2320 WeakPolarHBondContact CB-O 3.49Å; K1650-A2320 WeakPolarHBondContact CD-O 3.41Å; K1650-N2321 HydrophobicContact CD-CB 4.39Å |
| 1651 | F | 91.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.7 | -41.8 | 173.3 | -176.3 | -99.5 | 0 | 0 | 0 | 111.6 | V1605 T1647 C1648 H1653 F1654 I1655 I2129 Y2286 F2292 L2322 | V1605-F1651 HydrophobicContact CG1-CD2 4.34Å; V1605-F1651 HydrophobicContact CG1-CE2 4.42Å; T1647-F1651 PolarHBondContact O-N 3.36Å; T1647-F1651 VanDerWaalsContact O-N 3.08Å; C1648-F1651 WeakPolarHBondContact O-CA 3.47Å; C1648-F1651 WeakPolarHBondContact O-CB 3.42Å; C1648-F1651 PolarHBondContact O-N 2.92Å; F1651-H1653 PolarHBondContact O-N 3.17Å; F1651-F1654 HydrophobicContact CE2-CD1 4.46Å; F1651-F1654 WeakPolarHBondContact O-CB 3.42Å; F1651-F1654 PolarHBondContact O-N 2.93Å; F1651-F1654 VanDerWaalsContact O-N 3.08Å; F1651-I1655 HydrophobicContact CD1-CG1 4.09Å; F1651-I1655 HydrophobicContact CE1-CD1 4.07Å; F1651-I1655 HydrophobicContact CE1-CG1 3.67Å; F1651-I1655 HydrophobicContact CE2-CD1 4.2Å; F1651-I1655 HydrophobicContact CE2-CG1 4.46Å; F1651-I1655 HydrophobicContact CZ-CD1 3.75Å; F1651-I1655 HydrophobicContact CZ-CG1 3.89Å; F1651-I1655 WeakPolarHBondContact O-CG1 3.35Å; F1651-I1655 PolarHBondContact O-N 2.77Å; F1651-I2129 HydrophobicContact CE1-CD1 4.24Å; F1651-I2129 HydrophobicContact CE1-CG2 4.03Å; F1651-I2129 HydrophobicContact CZ-CD1 4.18Å; F1651-I2129 HydrophobicContact CZ-CG2 4.46Å; F1651-Y2286 HydrophobicContact CB-CD1 4.43Å; F1651-Y2286 HydrophobicContact CB-CE1 3.98Å; F1651-Y2286 HydrophobicContact CB-CE2 4.5Å; F1651-Y2286 AromaticContact CD1-CD1 3.82Å; F1651-Y2286 HydrophobicContact CD1-CD1 3.82Å; F1651-Y2286 AromaticContact CD1-CD2 3.94Å; F1651-Y2286 HydrophobicContact CD1-CD2 3.94Å; F1651-Y2286 HydrophobicContact CD1-CE1 4.2Å; F1651-Y2286 HydrophobicContact CD1-CE2 4.34Å; F1651-Y2286 AromaticContact CD1-CG 3.68Å; F1651-Y2286 HydrophobicContact CD1-CG 3.68Å; F1651-Y2286 AromaticContact CD2-CD2 3.74Å; F1651-Y2286 HydrophobicContact CD2-CD2 3.74Å; F1651-Y2286 HydrophobicContact CD2-CE1 4.43Å; F1651-Y2286 AromaticContact CD2-CE2 3.52Å; F1651-Y2286 HydrophobicContact CD2-CE2 3.52Å; F1651-Y2286 HydrophobicContact CD2-CG 4.31Å; F1651-Y2286 AromaticContact CD2-CZ 3.9Å; F1651-Y2286 HydrophobicContact CE1-CD1 4.21Å; F1651-Y2286 AromaticContact CE1-CD2 3.75Å; F1651-Y2286 HydrophobicContact CE1-CD2 3.75Å; F1651-Y2286 HydrophobicContact CE1-CE2 4.48Å; F1651-Y2286 AromaticContact CE1-CG 3.6Å; F1651-Y2286 HydrophobicContact CE1-CG 3.6Å; F1651-Y2286 AromaticContact CE2-CD2 3.53Å; F1651-Y2286 HydrophobicContact CE2-CD2 3.53Å; F1651-Y2286 AromaticContact CE2-CE2 3.69Å; F1651-Y2286 HydrophobicContact CE2-CE2 3.69Å; F1651-Y2286 HydrophobicContact CE2-CG 4.24Å; F1651-Y2286 HydrophobicContact CG-CD1 4.05Å; F1651-Y2286 AromaticContact CG-CD2 3.93Å; F1651-Y2286 HydrophobicContact CG-CD2 3.93Å; F1651-Y2286 AromaticContact CG-CE1 3.95Å; F1651-Y2286 HydrophobicContact CG-CE1 3.95Å; F1651-Y2286 AromaticContact CG-CE2 3.86Å; F1651-Y2286 HydrophobicContact CG-CE2 3.86Å; F1651-Y2286 HydrophobicContact CG-CG 4.04Å; F1651-Y2286 AromaticContact CG-CZ 3.87Å; F1651-Y2286 AromaticContact CZ-CD2 3.52Å; F1651-Y2286 HydrophobicContact CZ-CD2 3.52Å; F1651-Y2286 HydrophobicContact CZ-CE2 4.18Å; F1651-Y2286 AromaticContact CZ-CG 3.89Å; F1651-Y2286 HydrophobicContact CZ-CG 3.89Å; F1651-F2292 HydrophobicContact CE2-CB 4.23Å; F1651-F2292 AromaticContact CE2-CD1 3.65Å; F1651-F2292 HydrophobicContact CE2-CD1 3.65Å; F1651-F2292 HydrophobicContact CE2-CD2 4.33Å; F1651-F2292 HydrophobicContact CE2-CE1 4.07Å; F1651-F2292 AromaticContact CE2-CG 3.8Å; F1651-F2292 HydrophobicContact CE2-CG 3.8Å; F1651-F2292 AromaticContact CZ-CD1 3.7Å; F1651-F2292 HydrophobicContact CZ-CD1 3.7Å; F1651-F2292 AromaticContact CZ-CD2 3.86Å; F1651-F2292 HydrophobicContact CZ-CD2 3.86Å; F1651-F2292 AromaticContact CZ-CE1 3.7Å; F1651-F2292 HydrophobicContact CZ-CE1 3.7Å; F1651-F2292 AromaticContact CZ-CE2 3.86Å; F1651-F2292 HydrophobicContact CZ-CE2 3.86Å; F1651-F2292 AromaticContact CZ-CG 3.77Å; F1651-F2292 HydrophobicContact CZ-CG 3.77Å; F1651-F2292 AromaticContact CZ-CZ 3.79Å; F1651-F2292 HydrophobicContact CZ-CZ 3.79Å; F1651-L2322 HydrophobicContact CB-CD1 4.28Å; F1651-L2322 HydrophobicContact CD2-CD1 4.27Å |
| 1652 | V | 90.6 | Very high | 84.5 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.5 | -50.2 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | C1648 E1649 F1654 I1655 E1656 I1847 T1894 I2131 | C1648-V1652 WeakPolarHBondContact O-CG2 3.42Å; C1648-V1652 PolarHBondContact O-N 3.02Å; E1649-V1652 PolarHBondContact O-N 3.49Å; V1652-F1654 PolarHBondContact O-N 3.5Å; V1652-I1655 PolarHBondContact O-N 3Å; V1652-E1656 HydrophobicContact CG1-CG 4.44Å; V1652-E1656 WeakPolarHBondContact O-CG 3.17Å; V1652-E1656 PolarHBondContact O-N 3.19Å; V1652-I1847 HydrophobicContact CG1-CG2 4.39Å; V1652-I1847 HydrophobicContact CG2-CD1 4.15Å; V1652-I1847 HydrophobicContact CG2-CG2 4.01Å; V1652-T1894 HydrophobicContact CG2-CG2 4.32Å; V1652-I2131 HydrophobicContact CG2-CD1 3.82Å |
| 1653 | H | 89 | Confident | 84.4 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.8 | -24.5 | 177.1 | -72.2 | -36.8 | 0 | 0 | 0 | 114.8 | E1649 F1651 E1656 S1657 | E1649-H1653 PolarHBondContact O-N 3.08Å; F1651-H1653 PolarHBondContact O-N 3.17Å; H1653-E1656 WeakPolarHBondContact CA-OE2 3.25Å; H1653-E1656 IonicContact CE1-OE2 3.93Å; H1653-E1656 IonicContact CG-OE2 2.89Å; H1653-E1656 IonicContact ND1-OE2 2.81Å; H1653-E1656 PolarHBondContact ND1-OE2 3.2Å; H1653-S1657 PolarHBondContact O-N 3.34Å; H1653-S1657 PolarHBondContact O-OG 3.3Å |
| 1654 | F | 92.4 | Very high | 83.6 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.7 | -45 | 170.8 | 170.9 | -105.7 | 0 | 0 | 0 | 111.6 | V1605 K1650 F1651 V1652 E1656 S1657 I1658 I2294 W2313 K2316 A2317 L2322 F2324 | V1605-F1654 HydrophobicContact CG2-CD1 4.42Å; V1605-F1654 HydrophobicContact CG2-CE1 3.64Å; V1605-F1654 HydrophobicContact CG2-CZ 3.97Å; K1650-F1654 PolarHBondContact O-N 3.37Å; K1650-F1654 VanDerWaalsContact O-N 3.17Å; F1651-F1654 HydrophobicContact CE2-CD1 4.46Å; F1651-F1654 WeakPolarHBondContact O-CB 3.42Å; F1651-F1654 PolarHBondContact O-N 2.93Å; F1651-F1654 VanDerWaalsContact O-N 3.08Å; V1652-F1654 PolarHBondContact O-N 3.5Å; F1654-E1656 PolarHBondContact O-N 3.36Å; F1654-S1657 CarbonylContact O-C 3.56Å; F1654-S1657 WeakPolarHBondContact O-CA 3.25Å; F1654-S1657 WeakPolarHBondContact O-CB 3.49Å; F1654-S1657 PolarHBondContact O-N 3.08Å; F1654-I1658 HydrophobicContact CD1-CD1 4.41Å; F1654-I1658 HydrophobicContact CE1-CD1 3.73Å; F1654-I1658 HydrophobicContact CE1-CG1 4.44Å; F1654-I1658 HydrophobicContact CZ-CD1 3.89Å; F1654-I1658 HydrophobicContact CZ-CG1 4.34Å; F1654-I1658 PolarHBondContact O-N 3.46Å; F1654-I1658 VanDerWaalsContact O-N 3.12Å; F1654-I2294 HydrophobicContact CE1-CD1 3.83Å; F1654-I2294 HydrophobicContact CZ-CD1 4.08Å; F1654-W2313 HydrophobicContact CE2-CB 4.2Å; F1654-K2316 HydrophobicContact CD2-CB 4.42Å; F1654-A2317 HydrophobicContact CD2-CB 3.89Å; F1654-A2317 HydrophobicContact CE2-CB 3.86Å; F1654-L2322 HydrophobicContact CB-CD1 4.11Å; F1654-F2324 HydrophobicContact CZ-CD2 4.25Å |
| 1655 | I | 92.2 | Very high | 82.3 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 176.2 | -59.5 | -52.5 | 0 | 0 | 0 | 112.2 | F1651 V1652 S1657 I1658 N1659 T1894 A2127 I2129 | F1651-I1655 HydrophobicContact CD1-CG1 4.09Å; F1651-I1655 HydrophobicContact CE1-CD1 4.07Å; F1651-I1655 HydrophobicContact CE1-CG1 3.67Å; F1651-I1655 HydrophobicContact CE2-CD1 4.2Å; F1651-I1655 HydrophobicContact CE2-CG1 4.46Å; F1651-I1655 HydrophobicContact CZ-CD1 3.75Å; F1651-I1655 HydrophobicContact CZ-CG1 3.89Å; F1651-I1655 WeakPolarHBondContact O-CG1 3.35Å; F1651-I1655 PolarHBondContact O-N 2.77Å; V1652-I1655 PolarHBondContact O-N 3Å; I1655-S1657 PolarHBondContact O-N 3.34Å; I1655-I1658 HydrophobicContact CD1-CD1 3.91Å; I1655-I1658 WeakPolarHBondContact O-CA 3.32Å; I1655-I1658 WeakPolarHBondContact O-CB 3.39Å; I1655-I1658 PolarHBondContact O-N 3.04Å; I1655-N1659 PolarHBondContact O-N 2.85Å; I1655-T1894 HydrophobicContact CB-CG2 4.21Å; I1655-T1894 HydrophobicContact CG1-CG2 4.38Å; I1655-T1894 HydrophobicContact CG2-CG2 4.08Å; I1655-A2127 HydrophobicContact CG2-CB 4.3Å; I1655-I2129 HydrophobicContact CD1-CD1 3.42Å; I1655-I2129 VanDerWaalsContact CD1-CD1 3.42Å; I1655-I2129 HydrophobicContact CG1-CD1 3.74Å; I1655-I2129 HydrophobicContact CG2-CD1 4.18Å |
| 1656 | E | 88.1 | Confident | 80.9 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -37.4 | 169.8 | -70.7 | 176.3 | 154.1 | 0 | 0 | 112.1 | V1652 H1653 F1654 I1658 N1659 R1660 I1661 R1663 I1845 | V1652-E1656 HydrophobicContact CG1-CG 4.44Å; V1652-E1656 WeakPolarHBondContact O-CG 3.17Å; V1652-E1656 PolarHBondContact O-N 3.19Å; H1653-E1656 WeakPolarHBondContact CA-OE2 3.25Å; H1653-E1656 IonicContact CE1-OE2 3.93Å; H1653-E1656 IonicContact CG-OE2 2.89Å; H1653-E1656 IonicContact ND1-OE2 2.81Å; H1653-E1656 PolarHBondContact ND1-OE2 3.2Å; F1654-E1656 PolarHBondContact O-N 3.36Å; E1656-I1658 VanDerWaalsContact C-N 3.33Å; E1656-N1659 CarbonylContact O-C 3.6Å; E1656-N1659 PolarHBondContact O-N 3.08Å; E1656-R1660 PolarHBondContact O-N 2.83Å; E1656-I1661 PolarHBondContact O-N 3.25Å; E1656-R1663 IonicContact OE1-CZ 3.78Å; E1656-R1663 IonicContact OE1-NE 2.93Å; E1656-R1663 PolarHBondContact OE1-NE 3.47Å; E1656-R1663 IonicContact OE1-NH2 3.39Å; E1656-R1663 PolarHBondContact OE1-NH2 3.03Å; E1656-I1845 HydrophobicContact CG-CD1 4.46Å |
| 1657 | S | 86.4 | Confident | 78.5 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.6 | -19.6 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | H1653 F1654 I1655 K2316 | H1653-S1657 PolarHBondContact O-N 3.34Å; H1653-S1657 PolarHBondContact O-OG 3.3Å; F1654-S1657 CarbonylContact O-C 3.56Å; F1654-S1657 WeakPolarHBondContact O-CA 3.25Å; F1654-S1657 WeakPolarHBondContact O-CB 3.49Å; F1654-S1657 PolarHBondContact O-N 3.08Å; I1655-S1657 PolarHBondContact O-N 3.34Å; S1657-K2316 WeakPolarHBondContact OG-CD 3.48Å; S1657-K2316 WeakPolarHBondContact OG-CE 3.47Å; S1657-K2316 PolarHBondContact OG-NZ 3.24Å |
| 1658 | I | 88 | Confident | 75.8 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -74.2 | -52.4 | 167.6 | -67.3 | -176.4 | 0 | 0 | 0 | 109.5 | F1654 I1655 E1656 R1660 A2127 I2294 W2313 | F1654-I1658 HydrophobicContact CD1-CD1 4.41Å; F1654-I1658 HydrophobicContact CE1-CD1 3.73Å; F1654-I1658 HydrophobicContact CE1-CG1 4.44Å; F1654-I1658 HydrophobicContact CZ-CD1 3.89Å; F1654-I1658 HydrophobicContact CZ-CG1 4.34Å; F1654-I1658 PolarHBondContact O-N 3.46Å; F1654-I1658 VanDerWaalsContact O-N 3.12Å; I1655-I1658 HydrophobicContact CD1-CD1 3.91Å; I1655-I1658 WeakPolarHBondContact O-CA 3.32Å; I1655-I1658 WeakPolarHBondContact O-CB 3.39Å; I1655-I1658 PolarHBondContact O-N 3.04Å; E1656-I1658 VanDerWaalsContact C-N 3.33Å; I1658-R1660 PolarHBondContact O-N 2.88Å; I1658-R1660 VanDerWaalsContact O-N 3.11Å; I1658-A2127 HydrophobicContact CG2-CB 4.36Å; I1658-I2294 HydrophobicContact CD1-CD1 3.89Å; I1658-W2313 HydrophobicContact CB-CZ2 4.22Å; I1658-W2313 HydrophobicContact CG1-CD2 4.12Å; I1658-W2313 HydrophobicContact CG1-CH2 4.48Å; I1658-W2313 HydrophobicContact CG1-CZ2 4.03Å; I1658-W2313 HydrophobicContact CG2-CH2 4.13Å; I1658-W2313 HydrophobicContact CG2-CZ2 3.74Å |
| 1659 | N | 86.9 | Confident | 72.8 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 8% | 0.08 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -1.5 | 179.2 | -70.8 | -27.1 | 0 | 0 | 0 | 113.8 | I1655 E1656 I1661 W2126 A2127 | I1655-N1659 PolarHBondContact O-N 2.85Å; E1656-N1659 CarbonylContact O-C 3.6Å; E1656-N1659 PolarHBondContact O-N 3.08Å; N1659-I1661 HydrophobicContact CB-CD1 3.68Å; N1659-I1661 HydrophobicContact CB-CG1 3.97Å; N1659-I1661 PolarHBondContact O-N 2.94Å; N1659-I1661 VanDerWaalsContact O-N 3.13Å; N1659-W2126 HydrophobicContact CB-CE3 4.05Å; N1659-W2126 HydrophobicContact CB-CZ3 4.18Å; N1659-A2127 PolarHBondContact ND2-O 3.31Å; N1659-A2127 VanDerWaalsContact OD1-CB 3.28Å; N1659-A2127 WeakPolarHBondContact OD1-CB 3.46Å; N1659-A2127 PolarHBondContact OD1-N 3.07Å |
| 1660 | R | 80.2 | Confident | 69.9 | Low | 127 Ų | 127 | 72.6 Ų | 72.6 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 13 | -176.7 | -56.6 | -176.3 | 177.9 | 169.4 | 5 | 115.5 | E1656 I1658 D2265 | E1656-R1660 PolarHBondContact O-N 2.83Å; I1658-R1660 PolarHBondContact O-N 2.88Å; I1658-R1660 VanDerWaalsContact O-N 3.11Å; R1660-D2265 PolarHBondContact NH2-O 3.37Å |
| 1661 | I | 76.8 | Confident | 66.9 | Low | 11 Ų | 11 | 77.4 Ų | 77.4 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | trans | -70.4 | 149.2 | -176.5 | -68.4 | 167.5 | 0 | 0 | 0 | 111 | E1656 N1659 I1831 F1839 F1896 W2126 | E1656-I1661 PolarHBondContact O-N 3.25Å; N1659-I1661 HydrophobicContact CB-CD1 3.68Å; N1659-I1661 HydrophobicContact CB-CG1 3.97Å; N1659-I1661 PolarHBondContact O-N 2.94Å; N1659-I1661 VanDerWaalsContact O-N 3.13Å; I1661-I1831 HydrophobicContact CD1-CD1 4.17Å; I1661-I1831 HydrophobicContact CG2-CD1 4.17Å; I1661-I1831 HydrophobicContact CG2-CG1 4.01Å; I1661-I1831 HydrophobicContact CG2-CG2 4.05Å; I1661-F1839 HydrophobicContact CD1-CE2 3.86Å; I1661-F1839 HydrophobicContact CD1-CZ 4.02Å; I1661-F1839 HydrophobicContact CG1-CE2 4.01Å; I1661-F1896 HydrophobicContact CD1-CE1 3.51Å; I1661-F1896 HydrophobicContact CD1-CZ 3.48Å; I1661-F1896 VanDerWaalsContact CD1-CZ 3.48Å; I1661-W2126 HydrophobicContact CD1-CE3 4.38Å; I1661-W2126 HydrophobicContact CD1-CZ3 4.08Å; I1661-W2126 HydrophobicContact CG1-CZ3 4.15Å | ||
| 1662 | R | 68.6 | Low | 63.9 | Low | 187 Ų | 187 | 84.4 Ų | 84.4 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | trans | -132 | 142 | 160.5 | -54.4 | -174.5 | -177.1 | -166.1 | 2.7 | 109.9 | T1835 | R1662-T1835 HydrophobicContact CB-CG2 4.17Å; R1662-T1835 HydrophobicContact CG-CG2 4.32Å | ||
| 1663 | R | 71 | Confident | 60.8 | Low | 50 Ų | 50 | 89.4 Ų | 89.4 | 19% | 0.189 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -91.3 | 156.7 | 172 | -50.4 | -171.9 | -163.8 | -173.9 | -2.7 | 110.9 | E1656 P1829 D1848 | E1656-R1663 IonicContact OE1-CZ 3.78Å; E1656-R1663 IonicContact OE1-NE 2.93Å; E1656-R1663 PolarHBondContact OE1-NE 3.47Å; E1656-R1663 IonicContact OE1-NH2 3.39Å; E1656-R1663 PolarHBondContact OE1-NH2 3.03Å; R1663-P1829 WeakPolarHBondContact CD-O 3.26Å; R1663-D1848 IonicContact CZ-OD1 3.85Å; R1663-D1848 IonicContact CZ-OD2 3.43Å; R1663-D1848 VanDerWaalsContact CZ-OD2 3.25Å; R1663-D1848 IonicContact NH1-OD1 3.02Å; R1663-D1848 PolarHBondContact NH1-OD1 3.32Å; R1663-D1848 IonicContact NH1-OD2 3.22Å; R1663-D1848 PolarHBondContact NH1-OD2 3.11Å; R1663-D1848 VanDerWaalsContact NH1-OD2 3.11Å; R1663-D1848 IonicContact NH2-OD1 2.77Å; R1663-D1848 PolarHBondContact NH2-OD1 2.83Å; R1663-D1848 IonicContact NH2-OD2 2.74Å; R1663-D1848 PolarHBondContact NH2-OD2 2.99Å |
| 1664 | T | 62.3 | Low | 57.8 | Low | 81 Ų | 81 | 92.7 Ų | 92.7 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | trans | -68.8 | 126 | 166.9 | -48.4 | 0 | 0 | 0 | 0 | 109.1 | I1666 | T1664-I1666 PolarHBondContact O-N 3.03Å; T1664-I1666 VanDerWaalsContact O-N 3.16Å | ||
| 1665 | P | 51.2 | Low | 54.8 | Low | 109 Ų | 109 | 96.9 Ų | 96.9 | 71% | 0.708 | 48% | 0.477 | S | S | * | . | trans | -73.8 | 108.9 | -179.3 | 29.3 | -33.4 | 0 | 0 | 0 | 110.3 | T1667 | P1665-T1667 PolarHBondContact O-N 3.27Å; P1665-T1667 VanDerWaalsContact O-N 3.11Å | ||
| 1666 | I | 49.9 | Very low | 51.9 | Low | 70 Ų | 70 | 103.8 Ų | 103.8 | 36% | 0.359 | 52% | 0.519 | S | S | . | . | trans | -57 | 117.3 | 172.8 | -56.9 | 175.4 | 0 | 0 | 0 | 108.1 | T1664 S1668 P1829 | T1664-I1666 PolarHBondContact O-N 3.03Å; T1664-I1666 VanDerWaalsContact O-N 3.16Å; I1666-S1668 PolarHBondContact O-N 2.86Å; I1666-P1829 HydrophobicContact CD1-CB 3.95Å; I1666-P1829 HydrophobicContact CG1-CB 4.44Å | ||
| 1667 | T | 32.9 | Very low | 49.1 | Very low | 101 Ų | 101 | 106.2 Ų | 106.2 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | trans | -80.3 | 64 | -175 | 44.4 | 0 | 0 | 0 | 0 | 112.1 | P1665 R1669 | P1665-T1667 PolarHBondContact O-N 3.27Å; P1665-T1667 VanDerWaalsContact O-N 3.11Å; T1667-R1669 PolarHBondContact O-N 3.21Å | ||
| 1668 | S | 28.2 | Very low | 46.4 | Very low | 100 Ų | 100 | 113.4 Ų | 113.4 | 70% | 0.699 | 57% | 0.574 | S | S | * | * | trans | -57.8 | 96.1 | 171.8 | 64.8 | 0 | 0 | 0 | 0 | 110.1 | I1666 K1670 | I1666-S1668 PolarHBondContact O-N 2.86Å; S1668-K1670 PolarHBondContact O-N 3.34Å | ||
| 1669 | R | 25.9 | Very low | 43.5 | Very low | 226 Ų | 226 | 120.9 Ų | 120.9 | 85% | 0.853 | 61% | 0.606 | S | S | * | * | trans | -60.9 | 121.6 | 176.3 | -64.9 | -176.6 | -171.3 | 163.3 | 7.3 | 107.8 | T1667 L1671 | T1667-R1669 PolarHBondContact O-N 3.21Å; R1669-L1671 PolarHBondContact O-N 2.81Å | ||
| 1670 | K | 25.6 | Very low | 40.8 | Very low | 207 Ų | 207 | 124.2 Ų | 124.2 | 90% | 0.9 | 63% | 0.63 | S | S | * | * | trans | -62.7 | 94.9 | 177 | -71.2 | -176.8 | 176.6 | -178.7 | 0 | 109.8 | S1668 N1672 | S1668-K1670 PolarHBondContact O-N 3.34Å; K1670-N1672 PolarHBondContact O-N 2.88Å | ||
| 1671 | L | 27.6 | Very low | 38.3 | Very low | 173 Ų | 173 | 124.9 Ų | 124.9 | 91% | 0.906 | 64% | 0.643 | S | S | * | * | trans | -70.9 | 126.4 | 167.5 | -153.9 | 76.6 | 0 | 0 | 0 | 108.1 | R1669 | R1669-L1671 PolarHBondContact O-N 2.81Š| ||
| 1672 | N | 27.3 | Very low | 35.9 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 68% | 0.675 | S | S | * | * | trans | -97.5 | 132.3 | -164.5 | -165.9 | 14.4 | 0 | 0 | 0 | 110.9 | K1670 | K1670-N1672 PolarHBondContact O-N 2.88Š| ||
| 1673 | R | 26.3 | Very low | 34 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 42% | 0.419 | 67% | 0.673 | S | S | . | * | trans | -149.8 | 109.6 | 162.6 | -132 | -175 | -166 | -176.2 | 15.2 | 114.9 | G1776 S1778 | R1673-G1776 PolarHBondContact NH1-O 3.14Å; R1673-G1776 PolarHBondContact NH2-O 2.88Å; R1673-S1778 PolarHBondContact NH1-OG 2.84Å | ||
| 1674 | Q | 25.9 | Very low | 31.9 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | trans | -131.1 | 159.3 | 154 | -92.8 | -174.3 | -32.4 | 0 | 0 | 106.7 | ||||
| 1675 | S | 29.5 | Very low | 30.2 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 62% | 0.622 | 70% | 0.698 | S | S | * | * | cis | 174 | 124.1 | -33.1 | 48.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1676 | T | 30.1 | Very low | 29.1 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 91% | 0.908 | 69% | 0.693 | S | S | * | * | trans | -173.1 | 156.3 | 170.3 | 20.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1677 | A | 31.4 | Very low | 28.6 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | cis | -153.9 | 164.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1678 | E | 28.3 | Very low | 28.4 | Very low | 169 Ų | 169 | 132.1 Ų | 132.1 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | trans | 70.5 | 141.3 | 154.4 | -78.1 | 168 | -125.1 | 0 | 0 | 119.5 | ||||
| 1679 | K | 28.3 | Very low | 28.4 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | cis | -135.6 | 144 | 20.9 | -133.4 | 166.7 | -166.7 | 168 | 0 | 114.3 | ||||
| 1680 | S | 28.5 | Very low | 28.5 | Very low | 84 Ų | 84 | 124.6 Ų | 124.6 | 59% | 0.587 | 67% | 0.665 | S | S | * | * | trans | 32.2 | 138.3 | 143.3 | 60.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1681 | D | 27.6 | Very low | 28.5 | Very low | 141 Ų | 141 | 120.2 Ų | 120.2 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | cis | -172.4 | 162.3 | 0.9 | -97.3 | -24.3 | 0 | 0 | 0 | 106.9 | ||||
| 1682 | L | 27.5 | Very low | 28.4 | Very low | 139 Ų | 139 | 117 Ų | 117 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | cis | -144.7 | -153.3 | -2.7 | -116.6 | 167.9 | 0 | 0 | 0 | 105.6 | ||||
| 1683 | H | 29 | Very low | 28.3 | Very low | 143 Ų | 143 | 111.8 Ų | 111.8 | 66% | 0.662 | 62% | 0.62 | S | S | * | * | cis | -156.2 | -163.5 | 12 | -160.1 | 46.9 | 0 | 0 | 0 | 111.3 | ||||
| 1684 | R | 26.9 | Very low | 28.2 | Very low | 198 Ų | 198 | 110.9 Ų | 110.9 | 75% | 0.747 | 63% | 0.627 | S | S | * | * | trans | -34.5 | 145.6 | 166.2 | -77.7 | 179.5 | 158.3 | -173 | -6.7 | 115.8 | ||||
| 1685 | S | 26.6 | Very low | 28.3 | Very low | 67 Ų | 67 | 104.7 Ų | 104.7 | 47% | 0.469 | 60% | 0.603 | S | S | . | * | cis | -167 | 161.8 | -5.5 | -112 | 0 | 0 | 0 | 0 | 110.6 | L810 | L810-S1685 WeakPolarHBondContact CD2-O 2.99Å; L810-S1685 VanDerWaalsContact CG-O 3.23Å; L810-S1685 WeakPolarHBondContact CG-O 3.33Å | ||
| 1686 | A | 28 | Very low | 28 | Very low | 72 Ų | 72 | 108.7 Ų | 108.7 | 60% | 0.595 | 61% | 0.61 | S | S | * | * | trans | -109.3 | -159.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S811 | S811-A1686 WeakPolarHBondContact CB-O 3.06Š| ||
| 1687 | P | 38.4 | Very low | 27.7 | Very low | 75 Ų | 75 | 108 Ų | 108 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | -132.2 | -172.8 | -92.1 | 41.9 | -26.2 | 0 | 0 | 0 | 113.6 | T1733 | P1687-T1733 HydrophobicContact CG-CG2 3.85Š| |||
| 1688 | T | 29.2 | Very low | 27.3 | Very low | 67 Ų | 67 | 110.5 Ų | 110.5 | 41% | 0.411 | 61% | 0.609 | S | S | . | * | trans | -159.8 | 153.3 | 144.6 | 11 | 0 | 0 | 0 | 0 | 115.5 | L813 | L813-T1688 HydrophobicContact CD1-CG2 4.35Å; L813-T1688 HydrophobicContact CD2-CG2 3.86Å; L813-T1688 HydrophobicContact CG-CG2 3.92Å | ||
| 1689 | T | 27.9 | Very low | 27.1 | Very low | 73 Ų | 73 | 109.4 Ų | 109.4 | 45% | 0.448 | 61% | 0.608 | S | S | . | * | trans | -66 | 173.8 | 172.7 | 36 | 0 | 0 | 0 | 0 | 114.3 | N1732 | T1689-N1732 HydrophobicContact CG2-CB 4.13Å; T1689-N1732 WeakPolarHBondContact CG2-ND2 3.19Å; T1689-N1732 WeakPolarHBondContact OG1-CB 3.37Å; T1689-N1732 VanDerWaalsContact OG1-CG 3.22Å; T1689-N1732 PolarHBondContact OG1-ND2 3.1Å | ||
| 1690 | T | 27.7 | Very low | 27 | Very low | 96 Ų | 96 | 107.7 Ų | 107.7 | 59% | 0.589 | 61% | 0.606 | S | S | * | * | cis | -153.7 | 153.2 | 30.6 | -29.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1691 | T | 26.6 | Very low | 26.7 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | trans | -54 | 170.7 | 148.4 | 43.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1692 | T | 26.2 | Very low | 26.5 | Very low | 107 Ų | 107 | 109.8 Ų | 109.8 | 66% | 0.656 | 61% | 0.609 | S | S | * | * | cis | -156.2 | 143.6 | 1.8 | -0.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1693 | A | 25.4 | Very low | 26.3 | Very low | 35 Ų | 35 | 108.9 Ų | 108.9 | 29% | 0.289 | 61% | 0.605 | S | S | . | * | trans | -31.5 | 140.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | R896 | R896-A1693 HydrophobicContact CB-CB 3.83Å; R896-A1693 VanDerWaalsContact CD-C 3.47Å; R896-A1693 VanDerWaalsContact CD-CB 3.48Å; R896-A1693 WeakPolarHBondContact CD-O 3.43Å; R896-A1693 HydrophobicContact CG-CB 3.54Å; R896-A1693 PolarHBondContact NH1-O 3.03Å | ||
| 1694 | T | 24 | Very low | 26 | Very low | 93 Ų | 93 | 107.6 Ų | 107.6 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | trans | -114 | 125.3 | 177.2 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | R896 R897 W898 | R896-T1694 VanDerWaalsContact CB-C 3.45Å; R896-T1694 WeakPolarHBondContact CB-O 3.47Å; R897-T1694 PolarHBondContact N-O 3.05Å; W898-T1694 PolarHBondContact O-OG1 3.32Å | ||
| 1695 | S | 26.7 | Very low | 25.9 | Very low | 46 Ų | 46 | 104 Ų | 104 | 32% | 0.322 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -171.6 | -150.8 | 168.3 | 65.6 | 0 | 0 | 0 | 0 | 110.7 | R896 N1697 | R896-S1695 WeakPolarHBondContact CD-OG 3.44Å; R896-S1695 VanDerWaalsContact CG-OG 3.24Å; R896-S1695 WeakPolarHBondContact CG-OG 3.35Å; S1695-N1697 PolarHBondContact O-N 3.11Å |
| 1696 | F | 23.5 | Very low | 25.6 | Very low | 172 Ų | 172 | 106.1 Ų | 106.1 | 75% | 0.754 | 62% | 0.618 | S | S | * | * | trans | -42.8 | 88.4 | 168.5 | -52.4 | -69.5 | 0 | 0 | 0 | 114.2 | ||||
| 1697 | N | 23.5 | Very low | 25.6 | Very low | 134 Ų | 134 | 111 Ų | 111 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | trans | -70.8 | 130.7 | 139.1 | -76.9 | -11 | 0 | 0 | 0 | 107.8 | S1695 | S1695-N1697 PolarHBondContact O-N 3.11Š| ||
| 1698 | T | 23.9 | Very low | 24.7 | Very low | 124 Ų | 124 | 112.2 Ų | 112.2 | 76% | 0.761 | 64% | 0.643 | S | S | * | * | trans | -137.1 | 66.2 | 149.6 | 42.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1699 | N | 24 | Very low | 24.5 | Very low | 145 Ų | 145 | 114.3 Ų | 114.3 | 78% | 0.775 | 66% | 0.659 | S | S | * | * | trans | -89.4 | 117.8 | 141.9 | -77.3 | 1.7 | 0 | 0 | 0 | 104.4 | ||||
| 1700 | I | 25.6 | Very low | 24.4 | Very low | 137 Ų | 137 | 116.1 Ų | 116.1 | 70% | 0.703 | 67% | 0.673 | S | S | * | * | 79.4 | 143.3 | 70.6 | -68.6 | 166.3 | 0 | 0 | 0 | 109.7 | |||||
| 1701 | L | 22.9 | Very low | 24.1 | Very low | 149 Ų | 149 | 121.2 Ų | 121.2 | 78% | 0.78 | 69% | 0.687 | S | S | * | * | trans | 68.1 | 122.4 | -145.8 | -61.2 | 95.4 | 0 | 0 | 0 | 112.2 | ||||
| 1702 | N | 23.4 | Very low | 24.2 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | cis | -152.1 | 160.1 | 1.8 | -123 | 35.1 | 0 | 0 | 0 | 113.6 | ||||
| 1703 | D | 22.9 | Very low | 24.1 | Very low | 120 Ų | 120 | 124.9 Ų | 124.9 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | trans | 72.6 | 108.2 | 146.6 | -54 | -25.1 | 0 | 0 | 0 | 123.8 | ||||
| 1704 | T | 23.3 | Very low | 24.2 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | 73.1 | 116.8 | 124.5 | 60.7 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1705 | T | 23.7 | Very low | 24.3 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | 57.3 | 128.1 | 128.4 | 64.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1706 | T | 21.7 | Very low | 24.6 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 69% | 0.687 | 70% | 0.701 | S | S | * | * | trans | -35.7 | 139.3 | 141.5 | 37.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1707 | I | 26.1 | Very low | 24.7 | Very low | 173 Ų | 173 | 122 Ų | 122 | 89% | 0.887 | 68% | 0.683 | S | S | * | * | trans | -167.2 | 145.8 | 138.6 | -103.5 | 161.1 | 0 | 0 | 0 | 108 | ||||
| 1708 | S | 21.3 | Very low | 24.9 | Very low | 101 Ų | 101 | 122 Ų | 122 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -104 | 175.3 | 177.2 | 61.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1709 | C | 25.1 | Very low | 25 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 75% | 0.75 | 68% | 0.68 | S | S | * | * | trans | 74.1 | 99.1 | 166.1 | -60.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1710 | C | 24.9 | Very low | 25.4 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | 79.1 | 75.2 | 125 | -61.8 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1711 | K | 22.2 | Very low | 25.4 | Very low | 203 Ų | 203 | 118.2 Ų | 118.2 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | 64.3 | 157.3 | 127.6 | -67.4 | 172.1 | -178.6 | 171.5 | 0 | 120 | |||||
| 1712 | P | 28.7 | Very low | 25.7 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | cis | -132 | 155.1 | -10.8 | 37.1 | -19.5 | 0 | 0 | 0 | 117.1 | ||||
| 1713 | K | 23.2 | Very low | 25.9 | Very low | 195 Ų | 195 | 121.3 Ų | 121.3 | 85% | 0.848 | 69% | 0.685 | S | S | * | * | trans | 32.9 | 125.3 | 142.8 | -56.6 | -176.2 | 176.7 | -171.5 | 0 | 122.2 | ||||
| 1714 | N | 27.8 | Very low | 26 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 53% | 0.529 | 70% | 0.696 | S | S | . | * | 177.3 | 166.3 | 128.6 | -97.1 | 6.8 | 0 | 0 | 0 | 115.8 | H1049 S1050 | H1049-N1714 PolarHBondContact CE1-O 2.74Å; H1049-N1714 PolarHBondContact ND1-O 2.85Å; S1050-N1714 WeakPolarHBondContact O-CB 3.3Å; S1050-N1714 PolarHBondContact O-ND2 3.32Å | |||
| 1715 | S | 25.4 | Very low | 26.4 | Very low | 40 Ų | 40 | 125.7 Ų | 125.7 | 28% | 0.28 | 69% | 0.692 | S | S | . | * | trans | -135 | -155.5 | 171.7 | 76.8 | 0 | 0 | 0 | 0 | 111 | H1049 S1050 | H1049-S1715 CarbonylContact C-O 3.6Å; H1049-S1715 VanDerWaalsContact CA-O 3.31Å; H1049-S1715 WeakPolarHBondContact CA-O 3.36Å; S1050-S1715 PolarHBondContact N-O 2.98Å; S1050-S1715 VanDerWaalsContact N-O 3.11Å | ||
| 1716 | P | 32.4 | Very low | 26.4 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 51% | 0.506 | 69% | 0.69 | S | S | . | * | cis | -130.4 | 171.9 | 12.3 | 44.5 | -26.8 | 0 | 0 | 0 | 118 | N1048 | N1048-P1716 CarbonylContact C-O 3.59Å; N1048-P1716 VanDerWaalsContact CA-C 3.48Å; N1048-P1716 VanDerWaalsContact CA-O 3.27Å; N1048-P1716 WeakPolarHBondContact CA-O 3.32Å; N1048-P1716 PolarHBondContact N-O 3.21Å | ||
| 1717 | L | 25.6 | Very low | 26.5 | Very low | 69 Ų | 69 | 126.4 Ų | 126.4 | 36% | 0.361 | 69% | 0.693 | S | S | . | * | trans | -67.8 | 160.2 | -160.2 | -115.7 | -179.2 | 0 | 0 | 0 | 119.1 | N1045 S1046 N1047 N1048 | N1045-L1717 HydrophobicContact CB-CD1 4.35Å; S1046-L1717 VanDerWaalsContact C-CB 3.47Å; S1046-L1717 VanDerWaalsContact O-CD1 3.3Å; S1046-L1717 WeakPolarHBondContact O-CD1 3.1Å; S1046-L1717 VanDerWaalsContact O-CG 3.28Å; S1046-L1717 WeakPolarHBondContact O-CG 3.33Å; N1047-L1717 VanDerWaalsContact C-N 3.32Å; N1047-L1717 HydrophobicContact CB-CG 4.13Å; N1047-L1717 WeakPolarHBondContact O-CA 3.03Å; N1047-L1717 WeakPolarHBondContact O-CD2 3.5Å; N1047-L1717 WeakPolarHBondContact O-CG 3.41Å; N1048-L1717 VanDerWaalsContact N-CA 3.27Å; N1048-L1717 VanDerWaalsContact N-N 3.15Å | ||
| 1718 | T | 29.6 | Very low | 26.5 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | -146.8 | 132.2 | 120.5 | -18 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1719 | T | 26.2 | Very low | 26.5 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | trans | -48.9 | 150 | 168.3 | -50.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1720 | V | 30.9 | Very low | 26.6 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | trans | -133.7 | 147.6 | 141.4 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1721 | T | 25.6 | Very low | 26.6 | Very low | 92 Ų | 92 | 129 Ų | 129 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | trans | -77.9 | 162.9 | -167.8 | 51.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1722 | Y | 30.2 | Very low | 26.7 | Very low | 199 Ų | 199 | 122.7 Ų | 122.7 | 78% | 0.78 | 67% | 0.668 | S | S | * | * | -172.2 | 120.8 | 103.4 | -100.2 | -68.8 | 0 | 0 | 0 | 115.6 | |||||
| 1723 | T | 28.1 | Very low | 26.4 | Very low | 133 Ų | 133 | 121 Ų | 121 | 82% | 0.816 | 66% | 0.656 | S | S | * | * | trans | 53.6 | 155.4 | 146.3 | 39.5 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1724 | R | 23.7 | Very low | 26.3 | Very low | 235 Ų | 235 | 117.9 Ų | 117.9 | 89% | 0.887 | 65% | 0.654 | S | S | * | * | trans | -116 | -176.3 | -173.7 | -153.1 | -155.1 | 168 | -169.5 | -1.8 | 107.9 | ||||
| 1725 | P | 32.7 | Very low | 26.1 | Very low | 94 Ų | 94 | 118.7 Ų | 118.7 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | -126.9 | -167.4 | -87.8 | 44.3 | -30 | 0 | 0 | 0 | 114.7 | |||||
| 1726 | S | 22.3 | Very low | 26 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | trans | 91.7 | 174.8 | 145.9 | 76.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1727 | I | 24.9 | Very low | 25.6 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | 94 | 117.7 | 167.8 | -68.1 | 164.1 | 0 | 0 | 0 | 119.3 | ||||
| 1728 | I | 25.1 | Very low | 25.5 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 81% | 0.81 | 73% | 0.731 | S | S | * | * | trans | 82.9 | 146 | 149.1 | -80.4 | 168.5 | 0 | 0 | 0 | 123 | ||||
| 1729 | T | 21.9 | Very low | 25.2 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -76.2 | 168.1 | 177.2 | 23.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1730 | P | 27.9 | Very low | 25.2 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | trans | -87.5 | 156 | -160.7 | 34.5 | -37.5 | 0 | 0 | 0 | 115.5 | ||||
| 1731 | I | 24.5 | Very low | 24.8 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | -120 | 152.6 | 157 | -66.5 | 177.9 | 0 | 0 | 0 | 107.8 | ||||
| 1732 | N | 24.1 | Very low | 24.8 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 38% | 0.38 | 75% | 0.752 | S | S | . | * | trans | -133.3 | 177 | 175.5 | 178.8 | 50.3 | 0 | 0 | 0 | 109.6 | T1689 | T1689-N1732 HydrophobicContact CG2-CB 4.13Å; T1689-N1732 WeakPolarHBondContact CG2-ND2 3.19Å; T1689-N1732 WeakPolarHBondContact OG1-CB 3.37Å; T1689-N1732 VanDerWaalsContact OG1-CG 3.22Å; T1689-N1732 PolarHBondContact OG1-ND2 3.1Å | ||
| 1733 | T | 21.9 | Very low | 24.5 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 41% | 0.411 | 75% | 0.75 | S | S | . | * | trans | 78.2 | 110.2 | 173.5 | 65.9 | 0 | 0 | 0 | 0 | 116.4 | P1687 | P1687-T1733 HydrophobicContact CG-CG2 3.85Š| ||
| 1734 | T | 22.1 | Very low | 24.4 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | trans | 48.4 | 120.8 | 130.9 | 61.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1735 | S | 22.6 | Very low | 24.4 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | -154.9 | 148.4 | 98.2 | 41.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1736 | S | 23.2 | Very low | 24.1 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -104.8 | 110.1 | 161.7 | 53.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1737 | L | 24.8 | Very low | 24.2 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | -141.3 | 135.5 | 159.2 | -99.5 | 168.6 | 0 | 0 | 0 | 107.1 | ||||
| 1738 | N | 24.2 | Very low | 24.2 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | trans | -94.2 | -179.6 | 174 | -96.9 | -5.5 | 0 | 0 | 0 | 109.6 | ||||
| 1739 | E | 22.4 | Very low | 24.2 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | 77.7 | 132.6 | -179.3 | -51.4 | 179.7 | -172 | 0 | 0 | 112.9 | ||||
| 1740 | T | 25.3 | Very low | 24.3 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 83% | 0.828 | 75% | 0.752 | S | S | * | * | cis | -120.8 | 168.8 | 11.5 | 39.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1741 | S | 22.4 | Very low | 24.2 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | -74.6 | 159.9 | 177 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1742 | D | 26.5 | Very low | 24.2 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -147.7 | 167.7 | 132.5 | -130.7 | -29.3 | 0 | 0 | 0 | 113.4 | ||||
| 1743 | Y | 24.6 | Very low | 24.3 | Very low | 191 Ų | 191 | 137.5 Ų | 137.5 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -95.2 | 156.8 | -156.9 | -102.8 | -116.2 | 0 | 0 | 0 | 117.7 | ||||
| 1744 | N | 25.9 | Very low | 24.5 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -2.3 | 152.5 | 152.6 | -59 | -22.5 | 0 | 0 | 0 | 120.6 | ||||
| 1745 | I | 23.8 | Very low | 24.7 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | -175.6 | 137.3 | 106.5 | -99.6 | 169.3 | 0 | 0 | 0 | 116.3 | |||||
| 1746 | Q | 25.1 | Very low | 24.8 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 68.6 | 143.2 | 154.7 | -78 | 163 | 23.3 | 0 | 0 | 125 | ||||
| 1747 | L | 24.2 | Very low | 25.1 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -99 | 172.8 | 160.5 | -57 | 77.5 | 0 | 0 | 0 | 109.4 | ||||
| 1748 | I | 26.4 | Very low | 25 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | trans | 174.8 | 124.2 | 132.6 | -94.3 | 156.9 | 0 | 0 | 0 | 112.6 | ||||
| 1749 | N | 25.4 | Very low | 24.9 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 47 | 158 | 144.4 | -66.5 | -37.8 | 0 | 0 | 0 | 122.6 | ||||
| 1750 | R | 22.6 | Very low | 24.9 | Very low | 232 Ų | 232 | 135.3 Ų | 135.3 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | cis | -163.6 | 151.4 | 4.1 | -128.1 | 171.1 | -170.5 | -164.2 | 2.3 | 112.4 | ||||
| 1751 | G | 25.3 | Very low | 24.8 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 80.8 | 137.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1752 | G | 25.4 | Very low | 24.9 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | cis | 107.9 | 139.1 | 3.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1753 | A | 26.5 | Very low | 24.7 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | cis | -159 | -151.1 | 0.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1754 | I | 26.3 | Very low | 24.7 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | trans | 73.5 | 135.1 | 177 | -62.7 | 173.4 | 0 | 0 | 0 | 113.3 | ||||
| 1755 | N | 26.7 | Very low | 24.5 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | cis | -146.4 | 165.7 | -9.3 | -115.4 | -0.1 | 0 | 0 | 0 | 107.7 | ||||
| 1756 | S | 24.7 | Very low | 24.5 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | cis | 78.2 | 130.9 | 43 | -37.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1757 | P | 29.3 | Very low | 24.4 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | cis | -117.9 | -173.4 | 24.6 | 41.6 | -31.6 | 0 | 0 | 0 | 114.6 | ||||
| 1758 | S | 23.1 | Very low | 24.2 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | cis | 173.9 | 136.2 | -42.8 | -78.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1759 | I | 20.5 | Very low | 24.2 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | trans | -122.2 | 140.8 | 136.2 | -73.2 | -175 | 0 | 0 | 0 | 106.9 | H1761 | I1759-H1761 PolarHBondContact O-N 3.12Å; I1759-H1761 VanDerWaalsContact O-N 3.13Å | ||
| 1760 | V | 23.6 | Very low | 24.1 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 76% | 0.758 | 74% | 0.737 | S | S | * | * | trans | -78.4 | 97.4 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1761 | H | 23.4 | Very low | 24.4 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | 67.7 | 161.6 | 124.8 | -110.8 | -75.6 | 0 | 0 | 0 | 121.1 | I1759 | I1759-H1761 PolarHBondContact O-N 3.12Å; I1759-H1761 VanDerWaalsContact O-N 3.13Å | |||
| 1762 | I | 23.5 | Very low | 24.4 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | trans | 81.1 | 116.3 | 151.2 | -70.4 | 157.2 | 0 | 0 | 0 | 116.1 | ||||
| 1763 | D | 23.1 | Very low | 24.5 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 56% | 0.561 | 73% | 0.729 | S | S | * | * | cis | -167.7 | 162.8 | -4.2 | -122.1 | 11.2 | 0 | 0 | 0 | 113.8 | ||||
| 1764 | N | 23.5 | Very low | 24.3 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 58% | 0.583 | 73% | 0.734 | S | S | * | * | trans | 64.3 | 145.4 | 140.3 | -60.5 | -13.4 | 0 | 0 | 0 | 122.3 | ||||
| 1765 | F | 22.6 | Very low | 24.4 | Very low | 147 Ų | 147 | 130 Ų | 130 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | cis | -167 | 171.7 | -28.1 | -124.8 | -33 | 0 | 0 | 0 | 112.4 | ||||
| 1766 | Y | 23.3 | Very low | 24.1 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | trans | 53.5 | 86.9 | 155.7 | -57.2 | -49.7 | 0 | 0 | 0 | 121.2 | ||||
| 1767 | S | 23.4 | Very low | 24.1 | Very low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | -12.4 | 146 | 120.3 | 58.9 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1768 | T | 20.8 | Very low | 23.7 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | -168.7 | 168.9 | 128.1 | 13.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1769 | T | 25.8 | Very low | 23.7 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 83% | 0.828 | 71% | 0.714 | S | S | * | * | trans | 67.8 | 146.9 | 177 | 73.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1770 | S | 22.5 | Very low | 23.8 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | cis | -171.3 | 136.7 | -44.9 | 39.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1771 | L | 29.9 | Very low | 23.7 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 82% | 0.817 | 71% | 0.709 | S | S | * | * | trans | -65 | 154.8 | 172.6 | -78.9 | 77.6 | 0 | 0 | 0 | 111.1 | ||||
| 1772 | P | 25 | Very low | 23.8 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | -139.5 | 149.4 | 101.6 | 36.9 | -25.2 | 0 | 0 | 0 | 115.3 | |||||
| 1773 | N | 26.1 | Very low | 24 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | trans | -82.3 | 138.8 | 158.5 | -81.6 | -35.1 | 0 | 0 | 0 | 109.7 | ||||
| 1774 | I | 24 | Very low | 24.2 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 88% | 0.882 | 71% | 0.706 | S | S | * | * | trans | -166.1 | 152.3 | 145.6 | -108.3 | 155.1 | 0 | 0 | 0 | 109.7 | ||||
| 1775 | P | 26.7 | Very low | 24.4 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | trans | -119.9 | 133.3 | -141.7 | 38.4 | -27.9 | 0 | 0 | 0 | 118.1 | ||||
| 1776 | G | 21.7 | Very low | 24.6 | Very low | 42 Ų | 42 | 129.4 Ų | 129.4 | 43% | 0.433 | 72% | 0.722 | S | S | . | * | 95.6 | 118.3 | 127.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | R1673 | R1673-G1776 PolarHBondContact NH1-O 3.14Å; R1673-G1776 PolarHBondContact NH2-O 2.88Å | |||
| 1777 | T | 24 | Very low | 24.8 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | trans | -138.2 | 94 | 152.5 | 34.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1778 | S | 22 | Very low | 25.2 | Very low | 63 Ų | 63 | 127.9 Ų | 127.9 | 44% | 0.441 | 72% | 0.723 | S | S | . | * | 35.3 | 111.3 | 100.4 | 52.3 | 0 | 0 | 0 | 0 | 115.7 | R1673 | R1673-S1778 PolarHBondContact NH1-OG 2.84Š| |||
| 1779 | Y | 22.2 | Very low | 25.5 | Very low | 192 Ų | 192 | 127.3 Ų | 127.3 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | trans | 14.1 | 129.6 | 143.1 | -52.3 | -89.9 | 0 | 0 | 0 | 118.4 | ||||
| 1780 | Q | 22.5 | Very low | 25.5 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | -179.3 | 124.1 | 93.6 | -95.2 | 175 | -42.5 | 0 | 0 | 111.4 | T1782 | Q1780-T1782 HydrophobicContact CG-CG2 4Å; Q1780-T1782 PolarHBondContact NE2-OG1 3.33Å | |||
| 1781 | N | 22.2 | Very low | 25.5 | Very low | 154 Ų | 154 | 127.5 Ų | 127.5 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | -96.2 | 99.3 | 134.8 | -91.2 | 47.2 | 0 | 0 | 0 | 105.9 | ||||
| 1782 | T | 26.1 | Very low | 25.2 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | trans | -115 | 76 | 159.7 | 41.4 | 0 | 0 | 0 | 0 | 107.9 | Q1780 | Q1780-T1782 HydrophobicContact CG-CG2 4Å; Q1780-T1782 PolarHBondContact NE2-OG1 3.33Å | ||
| 1783 | E | 26.8 | Very low | 25.1 | Very low | 154 Ų | 154 | 127 Ų | 127 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | trans | -94.4 | 128.2 | 149.2 | -68.6 | 173.5 | 163.7 | 0 | 0 | 103.8 | ||||
| 1784 | D | 27.6 | Very low | 25 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | cis | -159.6 | 167.1 | 18.8 | -112 | -16.8 | 0 | 0 | 0 | 110.9 | ||||
| 1785 | Q | 28.1 | Very low | 24.9 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | S | Bend | cis | -156.2 | 134.9 | 7.6 | -145.7 | 157.9 | 66.4 | 0 | 0 | 110.7 | ||
| 1786 | S | 25.1 | Very low | 24.8 | Very low | 123 Ų | 123 | 125 Ų | 125 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | -173 | 85.5 | 135 | 16.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1787 | L | 27.7 | Very low | 24.9 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | trans | -58.6 | 174 | 149.4 | -81 | 122.9 | 0 | 0 | 0 | 110.7 | ||||
| 1788 | P | 32 | Very low | 24.9 | Very low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | cis | -143.8 | 166.2 | 19.9 | 37.8 | -16.9 | 0 | 0 | 0 | 119 | ||||
| 1789 | T | 26.9 | Very low | 25.1 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | 60.5 | 150.7 | 148.1 | 54.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1790 | N | 26.9 | Very low | 25.6 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | cis | -168.6 | 168.9 | -5.1 | -107.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 1791 | S | 23 | Very low | 26 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | 179.6 | 135.8 | -27.3 | 53.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1792 | G | 23.5 | Very low | 26.3 | Very low | 71 Ų | 71 | 126.4 Ų | 126.4 | 73% | 0.732 | 72% | 0.722 | S | S | * | * | trans | 158 | 122.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1793 | Q | 23.1 | Very low | 26.5 | Very low | 198 Ų | 198 | 126.5 Ų | 126.5 | 93% | 0.925 | 73% | 0.727 | S | S | * | * | trans | 66.2 | 142.6 | 146.5 | -68.8 | -174.5 | 2.2 | 0 | 0 | 119.3 | ||||
| 1794 | V | 22.4 | Very low | 27.1 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 67% | 0.673 | 72% | 0.719 | S | S | * | * | cis | -162.9 | 148.5 | -11.6 | 97.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1795 | T | 23.1 | Very low | 27.9 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | trans | 60.3 | 152.7 | 166.5 | 57.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1796 | Q | 23.1 | Very low | 28.9 | Very low | 161 Ų | 161 | 115.4 Ų | 115.4 | 75% | 0.752 | 68% | 0.681 | S | S | * | * | cis | -157.5 | 170.7 | -11.5 | -122.4 | 167.2 | 8.3 | 0 | 0 | 110.9 | ||||
| 1797 | N | 25 | Very low | 29.8 | Very low | 135 Ų | 135 | 114.9 Ų | 114.9 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | trans | 67.7 | 68.5 | 161.5 | -61.4 | -5.7 | 0 | 0 | 0 | 119 | ||||
| 1798 | A | 24.7 | Very low | 30.5 | Very low | 103 Ų | 103 | 111 Ų | 111 | 85% | 0.851 | 66% | 0.662 | S | S | * | * | trans | -135.8 | 55.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1799 | S | 26 | Very low | 31.5 | Very low | 92 Ų | 92 | 110.8 Ų | 110.8 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | trans | -145.6 | 71.8 | -157.5 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1800 | I | 32 | Very low | 33 | Very low | 147 Ų | 147 | 108.4 Ų | 108.4 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -133.9 | -36.7 | 166.4 | -65.3 | -175.1 | 0 | 0 | 0 | 112.4 | ||
| 1801 | F | 30.4 | Very low | 34.7 | Very low | 165 Ų | 165 | 106.3 Ų | 106.3 | 72% | 0.724 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -105.1 | -6.7 | -170.4 | -93 | -79.3 | 0 | 0 | 0 | 117.4 | L1805 | F1801-L1805 HydrophobicContact CD1-CD1 4.48Š|
| 1802 | N | 29.7 | Very low | 36.7 | Very low | 123 Ų | 123 | 103.4 Ų | 103.4 | 66% | 0.658 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -103.9 | 146.3 | -178.8 | -68.8 | -0.8 | 0 | 0 | 0 | 111.9 | S1804 | N1802-S1804 PolarHBondContact O-N 3.26Š|
| 1803 | S | 30.1 | Very low | 39.3 | Very low | 100 Ų | 100 | 100.3 Ų | 100.3 | 70% | 0.699 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 75.9 | -9.5 | 168.8 | 73.5 | 0 | 0 | 0 | 0 | 121.1 | ||
| 1804 | S | 38.4 | Very low | 42.1 | Very low | 78 Ų | 78 | 91.4 Ų | 91.4 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -106.1 | -24.8 | -177.5 | 59.3 | 0 | 0 | 0 | 0 | 116.5 | N1802 F1806 | N1802-S1804 PolarHBondContact O-N 3.26Å; S1804-F1806 PolarHBondContact O-N 3.42Å |
| 1805 | L | 46 | Very low | 44.8 | Very low | 53 Ų | 53 | 89.9 Ų | 89.9 | 28% | 0.277 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -33.2 | -169.3 | -97.3 | 157.1 | 0 | 0 | 0 | 114.8 | F1801 T1813 L1816 | F1801-L1805 HydrophobicContact CD1-CD1 4.48Å; L1805-T1813 HydrophobicContact CD2-CG2 4.26Å; L1805-T1813 VanDerWaalsContact O-CG2 3.23Å; L1805-T1813 WeakPolarHBondContact O-CG2 3.4Å; L1805-L1816 HydrophobicContact CD2-CD1 4Å |
| 1806 | F | 49 | Very low | 47.5 | Very low | 51 Ų | 51 | 88.6 Ų | 88.6 | 22% | 0.224 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -0.6 | -173.1 | -58.9 | -65.6 | 0 | 0 | 0 | 114.7 | S1804 S1808 T1813 V1817 F1857 F1860 Y1869 | S1804-F1806 PolarHBondContact O-N 3.42Å; F1806-S1808 PolarHBondContact O-N 3.17Å; F1806-T1813 HydrophobicContact CD1-CG2 4.22Å; F1806-T1813 HydrophobicContact CE1-CG2 4.36Å; F1806-V1817 HydrophobicContact CE1-CG2 4.35Å; F1806-F1857 HydrophobicContact CE2-CB 4.17Å; F1806-F1857 AromaticContact CE2-CD1 3.6Å; F1806-F1857 HydrophobicContact CE2-CD1 3.6Å; F1806-F1857 HydrophobicContact CE2-CE1 4.2Å; F1806-F1857 AromaticContact CE2-CG 3.97Å; F1806-F1857 HydrophobicContact CE2-CG 3.97Å; F1806-F1857 HydrophobicContact CZ-CB 4.39Å; F1806-F1857 AromaticContact CZ-CD1 3.56Å; F1806-F1857 HydrophobicContact CZ-CD1 3.56Å; F1806-F1857 HydrophobicContact CZ-CD2 4.26Å; F1806-F1857 AromaticContact CZ-CE1 3.8Å; F1806-F1857 HydrophobicContact CZ-CE1 3.8Å; F1806-F1857 HydrophobicContact CZ-CE2 4.48Å; F1806-F1857 AromaticContact CZ-CG 3.81Å; F1806-F1857 HydrophobicContact CZ-CG 3.81Å; F1806-F1857 HydrophobicContact CZ-CZ 4.26Å; F1806-F1860 HydrophobicContact CD1-CE2 4.43Å; F1806-F1860 HydrophobicContact CD2-CE2 4.23Å; F1806-F1860 HydrophobicContact CE1-CE2 4.28Å; F1806-F1860 HydrophobicContact CE2-CE2 4.08Å; F1806-F1860 HydrophobicContact CG-CE2 4.42Å; F1806-F1860 HydrophobicContact CZ-CE2 4.1Å; F1806-Y1869 HydrophobicContact CD1-CD2 4.48Å; F1806-Y1869 AromaticContact CD1-CE2 3.73Å; F1806-Y1869 HydrophobicContact CD1-CE2 3.73Å; F1806-Y1869 HydrophobicContact CE1-CE1 4.37Å; F1806-Y1869 AromaticContact CE1-CE2 3.87Å; F1806-Y1869 HydrophobicContact CE1-CE2 3.87Å; F1806-Y1869 AromaticContact CE1-CZ 3.69Å |
| 1807 | S | 42.8 | Very low | 50.5 | Low | 111 Ų | 111 | 81.2 Ų | 81.2 | 78% | 0.776 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -75.6 | -1.6 | 175.7 | -58.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1808 | S | 42.3 | Very low | 53.3 | Low | 61 Ų | 61 | 74.8 Ų | 74.8 | 43% | 0.427 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -146.1 | 114.6 | 175.4 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | F1806 T1810 T1813 | F1806-S1808 PolarHBondContact O-N 3.17Å; S1808-T1810 PolarHBondContact O-N 3.03Å; S1808-T1813 PolarHBondContact O-OG1 2.8Å; S1808-T1813 VanDerWaalsContact O-OG1 3.11Å |
| 1809 | N | 52.9 | Low | 56 | Low | 94 Ų | 94 | 73.2 Ų | 73.2 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | trans | -71.6 | 72.1 | 173.2 | -83.1 | -0.2 | 0 | 0 | 0 | 111.1 | Y1814 Q1872 | N1809-Y1814 WeakPolarHBondContact CB-OH 3.48Å; N1809-Y1814 PolarHBondContact ND2-OH 2.79Å; N1809-Y1814 PolarHBondContact OD1-OH 3.19Å; N1809-Q1872 PolarHBondContact ND2-OE1 2.82Å | ||
| 1810 | T | 58.3 | Low | 58.8 | Low | 66 Ų | 66 | 72.7 Ų | 72.7 | 41% | 0.405 | 41% | 0.408 | S | S | . | . | trans | -99.9 | 150.4 | 174.9 | 76.5 | 0 | 0 | 0 | 0 | 110.4 | S1808 G1812 T1813 Y1814 | S1808-T1810 PolarHBondContact O-N 3.03Å; T1810-G1812 PolarHBondContact O-N 3.31Å; T1810-G1812 VanDerWaalsContact O-N 3.11Å; T1810-G1812 PolarHBondContact OG1-N 3.38Å; T1810-T1813 WeakPolarHBondContact O-CB 3.27Å; T1810-T1813 PolarHBondContact O-N 2.66Å; T1810-T1813 PolarHBondContact O-OG1 2.82Å; T1810-T1813 PolarHBondContact OG1-N 3.48Å; T1810-T1813 PolarHBondContact OG1-OG1 3.15Å; T1810-T1813 VanDerWaalsContact OG1-OG1 3.09Å; T1810-Y1814 PolarHBondContact O-N 2.74Å | ||
| 1811 | N | 63.1 | Low | 61.5 | Low | 100 Ų | 100 | 65.8 Ų | 65.8 | 54% | 0.535 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.6 | -23.3 | 173.5 | -87.9 | -20.2 | 0 | 0 | 0 | 113.4 | Y1815 W1878 | N1811-Y1815 WeakPolarHBondContact O-CB 3.31Å; N1811-Y1815 PolarHBondContact O-N 2.91Å; N1811-W1878 HydrophobicContact CB-CZ2 4.08Å; N1811-W1878 WeakPolarHBondContact O-CZ2 3.36Å; N1811-W1878 PolarHBondContact OD1-NE1 3.48Å |
| 1812 | G | 65.7 | Low | 64.1 | Low | 40 Ų | 40 | 59.8 Ų | 59.8 | 41% | 0.412 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.3 | -36 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1810 Y1815 L1816 | T1810-G1812 PolarHBondContact O-N 3.31Å; T1810-G1812 VanDerWaalsContact O-N 3.11Å; T1810-G1812 PolarHBondContact OG1-N 3.38Å; G1812-Y1815 PolarHBondContact O-N 3.46Å; G1812-L1816 PolarHBondContact O-N 2.97Å |
| 1813 | T | 77 | Confident | 66.5 | Low | 6 Ų | 6 | 57.8 Ų | 57.8 | 4% | 0.037 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 175.5 | -45.4 | 0 | 0 | 0 | 0 | 110.7 | L1805 F1806 S1808 T1810 Y1815 L1816 V1817 | L1805-T1813 HydrophobicContact CD2-CG2 4.26Å; L1805-T1813 VanDerWaalsContact O-CG2 3.23Å; L1805-T1813 WeakPolarHBondContact O-CG2 3.4Å; F1806-T1813 HydrophobicContact CD1-CG2 4.22Å; F1806-T1813 HydrophobicContact CE1-CG2 4.36Å; S1808-T1813 PolarHBondContact O-OG1 2.8Å; S1808-T1813 VanDerWaalsContact O-OG1 3.11Å; T1810-T1813 WeakPolarHBondContact O-CB 3.27Å; T1810-T1813 PolarHBondContact O-N 2.66Å; T1810-T1813 PolarHBondContact O-OG1 2.82Å; T1810-T1813 PolarHBondContact OG1-N 3.48Å; T1810-T1813 PolarHBondContact OG1-OG1 3.15Å; T1810-T1813 VanDerWaalsContact OG1-OG1 3.09Å; T1813-Y1815 PolarHBondContact O-N 3.39Å; T1813-L1816 PolarHBondContact O-N 3.08Å; T1813-V1817 PolarHBondContact O-N 3.02Å; T1813-V1817 VanDerWaalsContact O-N 3.07Å |
| 1814 | Y | 82.9 | Confident | 68.5 | Low | 11 Ų | 11 | 60 Ų | 60 | 4% | 0.043 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 177.3 | -57.8 | -43.9 | 0 | 0 | 0 | 112.5 | N1809 T1810 V1817 A1818 Y1869 M1873 A1876 W1878 | N1809-Y1814 WeakPolarHBondContact CB-OH 3.48Å; N1809-Y1814 PolarHBondContact ND2-OH 2.79Å; N1809-Y1814 PolarHBondContact OD1-OH 3.19Å; T1810-Y1814 PolarHBondContact O-N 2.74Å; Y1814-V1817 PolarHBondContact O-N 2.86Å; Y1814-A1818 WeakPolarHBondContact O-CB 3.19Å; Y1814-A1818 PolarHBondContact O-N 3.13Å; Y1814-Y1869 HydrophobicContact CD1-CE1 4.45Å; Y1814-Y1869 HydrophobicContact CD1-CE2 4.29Å; Y1814-Y1869 AromaticContact CD1-CZ 3.81Å; Y1814-Y1869 WeakPolarHBondContact CD1-OH 3.38Å; Y1814-Y1869 AromaticContact CE1-CE2 3.75Å; Y1814-Y1869 HydrophobicContact CE1-CE2 3.75Å; Y1814-Y1869 AromaticContact CE1-CZ 3.75Å; Y1814-M1873 HydrophobicContact CD1-CB 4.49Å; Y1814-M1873 HydrophobicContact CD1-CG 3.32Å; Y1814-M1873 HydrophobicContact CD1-SD 4.3Å; Y1814-M1873 HydrophobicContact CE1-CG 3.82Å; Y1814-M1873 HydrophobicContact CG-CG 3.94Å; Y1814-A1876 HydrophobicContact CD2-CB 3.87Å; Y1814-A1876 HydrophobicContact CE2-CB 3.77Å; Y1814-W1878 VanDerWaalsContact CB-CD1 3.43Å; Y1814-W1878 AromaticContact CD2-CD1 3.77Å; Y1814-W1878 AromaticContact CD2-NE1 3.79Å; Y1814-W1878 AromaticContact CG-CD1 3.9Å |
| 1815 | Y | 78.8 | Confident | 70.1 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 31% | 0.306 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 173.9 | -178.7 | -115.7 | 0 | 0 | 0 | 112.9 | N1811 G1812 T1813 A1818 L1819 W1878 | N1811-Y1815 WeakPolarHBondContact O-CB 3.31Å; N1811-Y1815 PolarHBondContact O-N 2.91Å; G1812-Y1815 PolarHBondContact O-N 3.46Å; T1813-Y1815 PolarHBondContact O-N 3.39Å; Y1815-A1818 PolarHBondContact O-N 2.98Å; Y1815-L1819 HydrophobicContact CD1-CD1 4.03Å; Y1815-L1819 HydrophobicContact CE1-CD1 3.5Å; Y1815-L1819 HydrophobicContact CE1-CG 4.31Å; Y1815-L1819 HydrophobicContact CE2-CD1 4.32Å; Y1815-L1819 HydrophobicContact CE2-CG 4.27Å; Y1815-L1819 PolarHBondContact O-N 3.29Å; Y1815-W1878 AromaticContact CD2-CH2 3.8Å; Y1815-W1878 HydrophobicContact CD2-CH2 3.8Å; Y1815-W1878 AromaticContact CD2-CZ3 3.71Å; Y1815-W1878 HydrophobicContact CD2-CZ3 3.71Å; Y1815-W1878 HydrophobicContact CG-CH2 4.15Å; Y1815-W1878 HydrophobicContact CG-CZ3 4.41Å |
| 1816 | L | 80.3 | Confident | 71.6 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 45% | 0.45 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 175.6 | -85.7 | 165.8 | 0 | 0 | 0 | 112.1 | L1805 G1812 T1813 L1819 M1820 | L1805-L1816 HydrophobicContact CD2-CD1 4Å; G1812-L1816 PolarHBondContact O-N 2.97Å; T1813-L1816 PolarHBondContact O-N 3.08Å; L1816-L1819 PolarHBondContact O-N 3.06Å; L1816-M1820 WeakPolarHBondContact O-CG 3.12Å; L1816-M1820 PolarHBondContact O-N 3.23Å |
| 1817 | V | 85.6 | Confident | 73.3 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 174.4 | 174.2 | 0 | 0 | 0 | 0 | 111 | F1806 T1813 Y1814 L1819 M1820 M1821 W1852 F1857 Y1869 M1873 | F1806-V1817 HydrophobicContact CE1-CG2 4.35Å; T1813-V1817 PolarHBondContact O-N 3.02Å; T1813-V1817 VanDerWaalsContact O-N 3.07Å; Y1814-V1817 PolarHBondContact O-N 2.86Å; V1817-L1819 VanDerWaalsContact C-N 3.34Å; V1817-L1819 PolarHBondContact O-N 3.37Å; V1817-M1820 PolarHBondContact O-N 3.35Å; V1817-M1821 HydrophobicContact CG1-CE 3.83Å; V1817-M1821 HydrophobicContact CG1-CG 4.36Å; V1817-M1821 HydrophobicContact CG1-SD 4.36Å; V1817-M1821 VanDerWaalsContact O-CG 3.32Å; V1817-M1821 WeakPolarHBondContact O-CG 3.48Å; V1817-M1821 PolarHBondContact O-N 3Å; V1817-W1852 HydrophobicContact CG1-CZ3 4.18Å; V1817-F1857 HydrophobicContact CG2-CZ 4.22Å; V1817-Y1869 HydrophobicContact CG1-CE1 4.4Å; V1817-Y1869 HydrophobicContact CG2-CE1 4.35Å; V1817-M1873 HydrophobicContact CB-SD 4.44Å; V1817-M1873 HydrophobicContact CG1-CE 4.4Å; V1817-M1873 HydrophobicContact CG1-SD 3.98Å |
| 1818 | A | 83.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y1814 Y1815 M1821 V1822 L1899 | Y1814-A1818 WeakPolarHBondContact O-CB 3.19Å; Y1814-A1818 PolarHBondContact O-N 3.13Å; Y1815-A1818 PolarHBondContact O-N 2.98Å; A1818-M1821 PolarHBondContact O-N 2.94Å; A1818-V1822 PolarHBondContact O-N 2.8Å; A1818-L1899 HydrophobicContact CB-CD2 4.09Å; A1818-L1899 HydrophobicContact CB-CG 4.42Å |
| 1819 | L | 80.7 | Confident | 77.2 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 37% | 0.372 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 171.6 | -80.3 | 172.6 | 0 | 0 | 0 | 112 | Y1815 L1816 V1817 M1821 V1822 D1823 | Y1815-L1819 HydrophobicContact CD1-CD1 4.03Å; Y1815-L1819 HydrophobicContact CE1-CD1 3.5Å; Y1815-L1819 HydrophobicContact CE1-CG 4.31Å; Y1815-L1819 HydrophobicContact CE2-CD1 4.32Å; Y1815-L1819 HydrophobicContact CE2-CG 4.27Å; Y1815-L1819 PolarHBondContact O-N 3.29Å; L1816-L1819 PolarHBondContact O-N 3.06Å; V1817-L1819 VanDerWaalsContact C-N 3.34Å; V1817-L1819 PolarHBondContact O-N 3.37Å; L1819-M1821 VanDerWaalsContact C-N 3.29Å; L1819-M1821 PolarHBondContact O-N 3.24Å; L1819-V1822 PolarHBondContact O-N 2.99Å; L1819-D1823 PolarHBondContact O-N 3.2Å |
| 1820 | M | 85 | Confident | 78.8 | Confident | 81 Ų | 81 | 50.4 Ų | 50.4 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.7 | -33.5 | 177 | -72.2 | -175.1 | 70.3 | 0 | 0 | 112.6 | L1816 V1817 V1822 D1823 G1827 W1852 F1857 | L1816-M1820 WeakPolarHBondContact O-CG 3.12Å; L1816-M1820 PolarHBondContact O-N 3.23Å; V1817-M1820 PolarHBondContact O-N 3.35Å; M1820-V1822 PolarHBondContact O-N 2.93Å; M1820-D1823 PolarHBondContact O-N 2.93Å; M1820-G1827 WeakPolarHBondContact O-CA 3.48Å; M1820-W1852 HydrophobicContact CB-CH2 3.74Å; M1820-W1852 HydrophobicContact CB-CZ2 3.98Å; M1820-W1852 WeakPolarHBondContact O-CZ2 3.2Å; M1820-F1857 HydrophobicContact CE-CZ 4.4Å; M1820-F1857 HydrophobicContact SD-CZ 4.23Å |
| 1821 | M | 88.6 | Confident | 79.8 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -28 | 173 | -71.9 | -177.4 | 169.2 | 0 | 0 | 112.4 | V1817 A1818 L1819 G1827 L1828 F1830 W1852 I1853 L1870 L1899 | V1817-M1821 HydrophobicContact CG1-CE 3.83Å; V1817-M1821 HydrophobicContact CG1-CG 4.36Å; V1817-M1821 HydrophobicContact CG1-SD 4.36Å; V1817-M1821 VanDerWaalsContact O-CG 3.32Å; V1817-M1821 WeakPolarHBondContact O-CG 3.48Å; V1817-M1821 PolarHBondContact O-N 3Å; A1818-M1821 PolarHBondContact O-N 2.94Å; L1819-M1821 VanDerWaalsContact C-N 3.29Å; L1819-M1821 PolarHBondContact O-N 3.24Å; M1821-G1827 WeakPolarHBondContact O-CA 3.26Å; M1821-L1828 HydrophobicContact CB-CD1 3.95Å; M1821-L1828 HydrophobicContact CE-CD1 4.22Å; M1821-L1828 HydrophobicContact CG-CD1 3.56Å; M1821-L1828 PolarHBondContact O-N 2.83Å; M1821-L1828 HydrophobicContact SD-CD1 4.07Å; M1821-F1830 WeakPolarHBondContact O-CE2 3.48Å; M1821-F1830 VanDerWaalsContact O-CZ 3.26Å; M1821-F1830 WeakPolarHBondContact O-CZ 3.25Å; M1821-W1852 HydrophobicContact CB-CH2 4.49Å; M1821-W1852 HydrophobicContact CE-CE3 4.09Å; M1821-W1852 HydrophobicContact CE-CZ3 3.87Å; M1821-W1852 HydrophobicContact CG-CE3 4.07Å; M1821-W1852 HydrophobicContact CG-CH2 3.69Å; M1821-W1852 HydrophobicContact CG-CZ2 4.29Å; M1821-W1852 HydrophobicContact CG-CZ3 3.55Å; M1821-I1853 HydrophobicContact CE-CD1 4.24Å; M1821-I1853 HydrophobicContact CE-CG1 4.39Å; M1821-L1870 HydrophobicContact CE-CD2 3.95Å; M1821-L1899 HydrophobicContact CB-CD2 4.2Å; M1821-L1899 HydrophobicContact SD-CD1 3.95Å |
| 1822 | V | 85.1 | Confident | 80.1 | Confident | 39 Ų | 39 | 44.3 Ų | 44.3 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -91.5 | -4.5 | -178.1 | 172.4 | 0 | 0 | 0 | 0 | 113.8 | A1818 L1819 M1820 F1830 Y1842 L1899 I1901 | A1818-V1822 PolarHBondContact O-N 2.8Å; L1819-V1822 PolarHBondContact O-N 2.99Å; M1820-V1822 PolarHBondContact O-N 2.93Å; V1822-F1830 HydrophobicContact CG2-CE2 4.17Å; V1822-F1830 HydrophobicContact CG2-CZ 3.82Å; V1822-Y1842 HydrophobicContact CG1-CD1 4.18Å; V1822-Y1842 HydrophobicContact CG1-CE1 3.73Å; V1822-Y1842 HydrophobicContact CG2-CD1 3.84Å; V1822-Y1842 HydrophobicContact CG2-CE1 4.21Å; V1822-Y1842 HydrophobicContact CG2-CG 4.47Å; V1822-L1899 HydrophobicContact CG2-CD2 3.7Å; V1822-I1901 HydrophobicContact CB-CD1 4.43Å; V1822-I1901 HydrophobicContact CG2-CD1 3.68Å |
| 1823 | D | 81.1 | Confident | 79.6 | Confident | 81 Ų | 81 | 44.1 Ų | 44.1 | 43% | 0.433 | 24% | 0.237 | S | C | . | . | trans | -65.1 | 133.8 | -179.7 | -174.2 | 26 | 0 | 0 | 0 | 113.2 | L1819 M1820 D1825 G1827 | L1819-D1823 PolarHBondContact O-N 3.2Å; M1820-D1823 PolarHBondContact O-N 2.93Å; D1823-D1825 PolarHBondContact O-N 2.97Å; D1823-G1827 VanDerWaalsContact O-CA 3.22Å; D1823-G1827 WeakPolarHBondContact O-CA 2.97Å; D1823-G1827 PolarHBondContact O-N 3.01Å | ||
| 1824 | N | 71.4 | Confident | 78.4 | Confident | 146 Ų | 146 | 49.9 Ų | 49.9 | 78% | 0.781 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -35.1 | -167.7 | -92.1 | -43.8 | 0 | 0 | 0 | 114.3 | ||
| 1825 | D | 71.8 | Confident | 76.9 | Confident | 96 Ų | 96 | 52.1 Ų | 52.1 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -22.7 | -176.2 | -80 | -39.1 | 0 | 0 | 0 | 112.8 | D1823 | D1823-D1825 PolarHBondContact O-N 2.97Š|
| 1826 | N | 77.6 | Confident | 75.9 | Confident | 80 Ų | 80 | 50 Ų | 50 | 43% | 0.428 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -13.6 | -167.9 | -73.3 | -51.5 | 0 | 0 | 0 | 115.9 | W1852 W1856 | N1826-W1852 PolarHBondContact O-NE1 2.95Å; N1826-W1856 HydrophobicContact CB-CH2 3.9Å; N1826-W1856 HydrophobicContact CB-CZ2 3.51Å; N1826-W1856 PolarHBondContact O-NE1 3.34Å; N1826-W1856 VanDerWaalsContact O-NE1 3.16Å; N1826-W1856 WeakPolarHBondContact OD1-CH2 3.44Å; N1826-W1856 WeakPolarHBondContact OD1-CZ2 2.82Å |
| 1827 | G | 83.8 | Confident | 74.7 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -76.1 | -157 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1820 M1821 D1823 W1852 | M1820-G1827 WeakPolarHBondContact O-CA 3.48Å; M1821-G1827 WeakPolarHBondContact O-CA 3.26Å; D1823-G1827 VanDerWaalsContact O-CA 3.22Å; D1823-G1827 WeakPolarHBondContact O-CA 2.97Å; D1823-G1827 PolarHBondContact O-N 3.01Å; G1827-W1852 PolarHBondContact O-NE1 3.39Å |
| 1828 | L | 85.6 | Confident | 73.7 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | trans | -82.8 | 145.7 | -178.7 | -106.3 | 101.7 | 0 | 0 | 0 | 112.8 | M1821 F1830 F1844 D1848 A1849 W1852 | M1821-L1828 HydrophobicContact CB-CD1 3.95Å; M1821-L1828 HydrophobicContact CE-CD1 4.22Å; M1821-L1828 HydrophobicContact CG-CD1 3.56Å; M1821-L1828 PolarHBondContact O-N 2.83Å; M1821-L1828 HydrophobicContact SD-CD1 4.07Å; L1828-F1830 HydrophobicContact CB-CE1 4.33Å; L1828-F1830 HydrophobicContact CB-CE2 4.08Å; L1828-F1830 HydrophobicContact CB-CZ 3.96Å; L1828-F1830 WeakPolarHBondContact O-CD2 3.29Å; L1828-F1830 WeakPolarHBondContact O-CE2 3.27Å; L1828-F1830 PolarHBondContact O-N 3.3Å; L1828-F1844 HydrophobicContact CD2-CB 3.64Å; L1828-F1844 HydrophobicContact CD2-CD2 3.64Å; L1828-F1844 HydrophobicContact CD2-CE2 4.46Å; L1828-F1844 HydrophobicContact CD2-CG 3.75Å; L1828-D1848 HydrophobicContact CD2-CB 4.37Å; L1828-A1849 HydrophobicContact CD2-CB 3.99Å; L1828-W1852 HydrophobicContact CD1-CB 4Å; L1828-W1852 HydrophobicContact CD1-CD2 3.65Å; L1828-W1852 HydrophobicContact CD1-CE3 3.85Å; L1828-W1852 HydrophobicContact CD1-CG 3.71Å; L1828-W1852 HydrophobicContact CG-CB 4.39Å; L1828-W1852 HydrophobicContact CG-CG 4.31Å | ||
| 1829 | P | 83 | Confident | 73.2 | Confident | 28 Ų | 28 | 53.5 Ų | 53.5 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | trans | -79 | 80.2 | 174.7 | 33.7 | -36.7 | 0 | 0 | 0 | 111.3 | R1663 I1666 D1848 | R1663-P1829 WeakPolarHBondContact CD-O 3.26Å; I1666-P1829 HydrophobicContact CD1-CB 3.95Å; I1666-P1829 HydrophobicContact CG1-CB 4.44Å; P1829-D1848 HydrophobicContact CG-CB 4.26Å | ||
| 1830 | F | 85.7 | Confident | 72.8 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 157.9 | 177.6 | -58.7 | -79.9 | 0 | 0 | 0 | 113.7 | M1821 V1822 L1828 Y1842 T1843 F1844 | M1821-F1830 WeakPolarHBondContact O-CE2 3.48Å; M1821-F1830 VanDerWaalsContact O-CZ 3.26Å; M1821-F1830 WeakPolarHBondContact O-CZ 3.25Å; V1822-F1830 HydrophobicContact CG2-CE2 4.17Å; V1822-F1830 HydrophobicContact CG2-CZ 3.82Å; L1828-F1830 HydrophobicContact CB-CE1 4.33Å; L1828-F1830 HydrophobicContact CB-CE2 4.08Å; L1828-F1830 HydrophobicContact CB-CZ 3.96Å; L1828-F1830 WeakPolarHBondContact O-CD2 3.29Å; L1828-F1830 WeakPolarHBondContact O-CE2 3.27Å; L1828-F1830 PolarHBondContact O-N 3.3Å; F1830-Y1842 VanDerWaalsContact CD1-C 3.44Å; F1830-T1843 WeakPolarHBondContact CA-O 3.48Å; F1830-F1844 HydrophobicContact CD1-CB 3.9Å; F1830-F1844 HydrophobicContact CD1-CD1 4.41Å; F1830-F1844 HydrophobicContact CE1-CB 4.14Å; F1830-F1844 AromaticContact CE1-CD1 4Å; F1830-F1844 HydrophobicContact CE1-CD1 4Å; F1830-F1844 HydrophobicContact CE1-CG 4.46Å |
| 1831 | I | 80.4 | Confident | 72.3 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 135.4 | 171.8 | -60.4 | 174.6 | 0 | 0 | 0 | 109.3 | I1661 F1839 T1843 F1896 | I1661-I1831 HydrophobicContact CD1-CD1 4.17Å; I1661-I1831 HydrophobicContact CG2-CD1 4.17Å; I1661-I1831 HydrophobicContact CG2-CG1 4.01Å; I1661-I1831 HydrophobicContact CG2-CG2 4.05Å; I1831-F1839 HydrophobicContact CD1-CD2 4.33Å; I1831-F1839 HydrophobicContact CD1-CE2 4.21Å; I1831-F1839 HydrophobicContact CD1-CZ 4.36Å; I1831-F1839 HydrophobicContact CG2-CD2 3.79Å; I1831-F1839 HydrophobicContact CG2-CE2 4.35Å; I1831-F1839 HydrophobicContact CG2-CG 4.4Å; I1831-T1843 HydrophobicContact CD1-CG2 4.14Å; I1831-T1843 PolarHBondContact N-O 2.88Å; I1831-F1896 HydrophobicContact CD1-CD1 3.76Å; I1831-F1896 HydrophobicContact CD1-CE1 3.76Å |
| 1832 | S | 68.6 | Low | 72.1 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 124 | 176.4 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | T1834 T1835 | S1832-T1834 PolarHBondContact O-N 3.2Å; S1832-T1834 PolarHBondContact OG-N 2.9Å; S1832-T1834 PolarHBondContact OG-OG1 2.86Å; S1832-T1835 PolarHBondContact O-N 2.72Å; S1832-T1835 VanDerWaalsContact O-N 3.1Å; S1832-T1835 PolarHBondContact O-OG1 2.89Å |
| 1833 | A | 55.7 | Low | 72.2 | Confident | 35 Ų | 35 | 56.4 Ų | 56.4 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -53.2 | -33.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1835 T1836 | A1833-T1835 PolarHBondContact O-N 2.86Å; A1833-T1836 CarbonylContact O-C 3.56Å; A1833-T1836 VanDerWaalsContact O-C 3.29Å; A1833-T1836 PolarHBondContact O-N 2.84Å |
| 1834 | T | 50.5 | Low | 72.7 | Confident | 127 Ų | 127 | 52.6 Ų | 52.6 | 78% | 0.779 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -66.3 | -4.4 | -179.9 | 71.1 | 0 | 0 | 0 | 0 | 115 | S1832 | S1832-T1834 PolarHBondContact O-N 3.2Å; S1832-T1834 PolarHBondContact OG-N 2.9Å; S1832-T1834 PolarHBondContact OG-OG1 2.86Å |
| 1835 | T | 52.9 | Low | 73.6 | Confident | 58 Ų | 58 | 46 Ų | 46 | 36% | 0.356 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -104.6 | -20.4 | 175.7 | 24.5 | 0 | 0 | 0 | 0 | 114.2 | R1662 S1832 A1833 | R1662-T1835 HydrophobicContact CB-CG2 4.17Å; R1662-T1835 HydrophobicContact CG-CG2 4.32Å; S1832-T1835 PolarHBondContact O-N 2.72Å; S1832-T1835 VanDerWaalsContact O-N 3.1Å; S1832-T1835 PolarHBondContact O-OG1 2.89Å; A1833-T1835 PolarHBondContact O-N 2.86Å |
| 1836 | T | 57.8 | Low | 74.5 | Confident | 35 Ų | 35 | 41.4 Ų | 41.4 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | trans | -161.7 | 116 | 176.8 | 44.7 | 0 | 0 | 0 | 0 | 108 | A1833 A1838 F1839 | A1833-T1836 CarbonylContact O-C 3.56Å; A1833-T1836 VanDerWaalsContact O-C 3.29Å; A1833-T1836 PolarHBondContact O-N 2.84Å; T1836-A1838 PolarHBondContact O-N 2.92Å; T1836-F1839 WeakPolarHBondContact OG1-CD2 3.28Å | ||
| 1837 | D | 55.3 | Low | 75.1 | Confident | 129 Ų | 129 | 38 Ų | 38 | 69% | 0.69 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -8.8 | 177.5 | -52.6 | -57.5 | 0 | 0 | 0 | 113.1 | L1245 F1839 | L1245-D1837 HydrophobicContact CD2-CB 3.99Å; D1837-F1839 VanDerWaalsContact C-N 3.33Å; D1837-F1839 PolarHBondContact O-N 3.03Å |
| 1838 | A | 64.4 | Low | 75.4 | Confident | 23 Ų | 23 | 39.2 Ų | 39.2 | 19% | 0.19 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 3.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y1246 T1836 W2126 | Y1246-A1838 HydrophobicContact CD1-CB 4.42Å; Y1246-A1838 HydrophobicContact CE1-CB 4.1Å; Y1246-A1838 WeakPolarHBondContact CE1-O 3.34Å; Y1246-A1838 PolarHBondContact OH-O 2.86Å; T1836-A1838 PolarHBondContact O-N 2.92Å; A1838-W2126 HydrophobicContact CB-CZ2 4.17Å |
| 1839 | F | 72.1 | Confident | 75.6 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -116.9 | 132.9 | 177.7 | -77.3 | -59.7 | 0 | 0 | 0 | 113.1 | I1661 I1831 T1836 D1837 T1843 T1882 F1896 F2122 W2126 | I1661-F1839 HydrophobicContact CD1-CE2 3.86Å; I1661-F1839 HydrophobicContact CD1-CZ 4.02Å; I1661-F1839 HydrophobicContact CG1-CE2 4.01Å; I1831-F1839 HydrophobicContact CD1-CD2 4.33Å; I1831-F1839 HydrophobicContact CD1-CE2 4.21Å; I1831-F1839 HydrophobicContact CD1-CZ 4.36Å; I1831-F1839 HydrophobicContact CG2-CD2 3.79Å; I1831-F1839 HydrophobicContact CG2-CE2 4.35Å; I1831-F1839 HydrophobicContact CG2-CG 4.4Å; T1836-F1839 WeakPolarHBondContact OG1-CD2 3.28Å; D1837-F1839 VanDerWaalsContact C-N 3.33Å; D1837-F1839 PolarHBondContact O-N 3.03Å; F1839-T1843 HydrophobicContact CD1-CG2 3.98Å; F1839-T1843 HydrophobicContact CE1-CG2 4.45Å; F1839-T1882 HydrophobicContact CD1-CG2 3.97Å; F1839-T1882 HydrophobicContact CE1-CG2 4.3Å; F1839-F1896 HydrophobicContact CE1-CD1 4.37Å; F1839-F1896 HydrophobicContact CE1-CG 4.3Å; F1839-F1896 HydrophobicContact CZ-CD1 4.39Å; F1839-F1896 HydrophobicContact CZ-CE1 4.38Å; F1839-F2122 HydrophobicContact CE1-CE2 4.16Å; F1839-F2122 HydrophobicContact CE1-CZ 4.23Å; F1839-W2126 HydrophobicContact CD2-CH2 4.34Å; F1839-W2126 HydrophobicContact CE1-CZ2 4.33Å; F1839-W2126 HydrophobicContact CE2-CE3 4.31Å; F1839-W2126 AromaticContact CE2-CH2 3.39Å; F1839-W2126 HydrophobicContact CE2-CH2 3.39Å; F1839-W2126 AromaticContact CE2-CZ2 3.85Å; F1839-W2126 HydrophobicContact CE2-CZ2 3.85Å; F1839-W2126 AromaticContact CE2-CZ3 3.66Å; F1839-W2126 HydrophobicContact CE2-CZ3 3.66Å; F1839-W2126 AromaticContact CZ-CD2 3.91Å; F1839-W2126 HydrophobicContact CZ-CD2 3.91Å; F1839-W2126 AromaticContact CZ-CE2 3.82Å; F1839-W2126 AromaticContact CZ-CE3 3.8Å; F1839-W2126 HydrophobicContact CZ-CE3 3.8Å; F1839-W2126 AromaticContact CZ-CH2 3.56Å; F1839-W2126 HydrophobicContact CZ-CH2 3.56Å; F1839-W2126 AromaticContact CZ-CZ2 3.66Å; F1839-W2126 HydrophobicContact CZ-CZ2 3.66Å; F1839-W2126 AromaticContact CZ-CZ3 3.63Å; F1839-W2126 HydrophobicContact CZ-CZ3 3.63Å |
| 1840 | P | 72 | Confident | 76 | Confident | 29 Ų | 29 | 37.5 Ų | 37.5 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | trans | -59.1 | 152 | 167.3 | -22.3 | 33.5 | 0 | 0 | 0 | 112.2 | P1242 T1843 T1882 T1898 | P1242-P1840 HydrophobicContact CB-CB 4.22Å; P1242-P1840 HydrophobicContact CB-CG 3.89Å; P1840-T1843 WeakPolarHBondContact O-CB 3.13Å; P1840-T1843 PolarHBondContact O-N 2.87Å; P1840-T1843 PolarHBondContact O-OG1 2.93Å; P1840-T1882 HydrophobicContact CG-CG2 4.12Å; P1840-T1898 HydrophobicContact CB-CG2 3.76Å; P1840-T1898 HydrophobicContact CG-CG2 4.41Å | ||
| 1841 | N | 75.1 | Confident | 76.1 | Confident | 115 Ų | 115 | 39 Ų | 39 | 62% | 0.615 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 148.4 | 171.1 | -68.1 | -30.2 | 0 | 0 | 0 | 111.2 | T1843 | N1841-T1843 PolarHBondContact O-N 3.01Š|
| 1842 | Y | 83.8 | Confident | 76.6 | Confident | 108 Ų | 108 | 39.2 Ų | 39.2 | 42% | 0.424 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 31.2 | -178.1 | -43.5 | -71.1 | 0 | 0 | 0 | 114.5 | V1822 F1830 L1899 | V1822-Y1842 HydrophobicContact CG1-CD1 4.18Å; V1822-Y1842 HydrophobicContact CG1-CE1 3.73Å; V1822-Y1842 HydrophobicContact CG2-CD1 3.84Å; V1822-Y1842 HydrophobicContact CG2-CE1 4.21Å; V1822-Y1842 HydrophobicContact CG2-CG 4.47Å; F1830-Y1842 VanDerWaalsContact CD1-C 3.44Å; Y1842-L1899 PolarHBondContact O-N 2.77Å; Y1842-L1899 VanDerWaalsContact O-N 3.13Å |
| 1843 | T | 87.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 130.5 | 168.5 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | F1830 I1831 F1839 P1840 N1841 T1882 F1896 Y1897 T1898 | F1830-T1843 WeakPolarHBondContact CA-O 3.48Å; I1831-T1843 HydrophobicContact CD1-CG2 4.14Å; I1831-T1843 PolarHBondContact N-O 2.88Å; F1839-T1843 HydrophobicContact CD1-CG2 3.98Å; F1839-T1843 HydrophobicContact CE1-CG2 4.45Å; P1840-T1843 WeakPolarHBondContact O-CB 3.13Å; P1840-T1843 PolarHBondContact O-N 2.87Å; P1840-T1843 PolarHBondContact O-OG1 2.93Å; N1841-T1843 PolarHBondContact O-N 3.01Å; T1843-T1882 HydrophobicContact CG2-CG2 4.09Å; T1843-T1882 WeakPolarHBondContact CG2-OG1 3.49Å; T1843-F1896 HydrophobicContact CG2-CB 4.35Å; T1843-Y1897 CarbonylContact C-O 3.51Å; T1843-Y1897 WeakPolarHBondContact CA-O 3.31Å; T1843-T1898 PolarHBondContact OG1-OG1 2.7Å |
| 1844 | F | 90.7 | Very high | 79.1 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 173.2 | -177.2 | 64.7 | -88.5 | 0 | 0 | 0 | 111.7 | L1828 F1830 A1849 I1879 Y1897 L1899 | L1828-F1844 HydrophobicContact CD2-CB 3.64Å; L1828-F1844 HydrophobicContact CD2-CD2 3.64Å; L1828-F1844 HydrophobicContact CD2-CE2 4.46Å; L1828-F1844 HydrophobicContact CD2-CG 3.75Å; F1830-F1844 HydrophobicContact CD1-CB 3.9Å; F1830-F1844 HydrophobicContact CD1-CD1 4.41Å; F1830-F1844 HydrophobicContact CE1-CB 4.14Å; F1830-F1844 AromaticContact CE1-CD1 4Å; F1830-F1844 HydrophobicContact CE1-CD1 4Å; F1830-F1844 HydrophobicContact CE1-CG 4.46Å; F1844-A1849 HydrophobicContact CD2-CB 3.89Å; F1844-A1849 HydrophobicContact CE2-CB 3.57Å; F1844-I1879 HydrophobicContact CE1-CG2 3.9Å; F1844-I1879 HydrophobicContact CZ-CD1 4.46Å; F1844-I1879 HydrophobicContact CZ-CG2 3.64Å; F1844-Y1897 VanDerWaalsContact CD1-O 3.24Å; F1844-Y1897 WeakPolarHBondContact CD1-O 3.47Å; F1844-Y1897 PolarHBondContact N-O 2.81Å; F1844-Y1897 PolarHBondContact O-N 2.87Å; F1844-L1899 HydrophobicContact CE1-CB 4.21Å; F1844-L1899 HydrophobicContact CE1-CD1 3.91Å; F1844-L1899 HydrophobicContact CZ-CD1 4.47Å |
| 1845 | I | 90.2 | Very high | 80.8 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.4 | -179.2 | -51.7 | -178.8 | 0 | 0 | 0 | 109.5 | E1656 I1847 D1848 A1849 F1896 | E1656-I1845 HydrophobicContact CG-CD1 4.46Å; I1845-I1847 HydrophobicContact CG2-CG2 4.07Å; I1845-I1847 PolarHBondContact O-N 3.29Å; I1845-D1848 PolarHBondContact O-N 2.85Å; I1845-D1848 VanDerWaalsContact O-N 3.1Å; I1845-A1849 PolarHBondContact O-N 3.1Å; I1845-F1896 HydrophobicContact CD1-CE1 4.06Å; I1845-F1896 HydrophobicContact CG1-CD1 4.1Å; I1845-F1896 HydrophobicContact CG1-CE1 3.93Å |
| 1846 | S | 91.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -52.2 | -43.4 | -174 | 44.2 | 0 | 0 | 0 | 0 | 115.8 | D1848 A1849 V1850 F1890 I1891 G1893 Y1895 | S1846-D1848 VanDerWaalsContact C-N 3.28Å; S1846-D1848 PolarHBondContact O-N 2.7Å; S1846-A1849 PolarHBondContact O-N 3.18Å; S1846-V1850 PolarHBondContact O-N 2.92Å; S1846-F1890 VanDerWaalsContact CB-CZ 3.5Å; S1846-I1891 VanDerWaalsContact CB-O 3.25Å; S1846-I1891 WeakPolarHBondContact CB-O 3.29Å; S1846-I1891 PolarHBondContact OG-O 3.06Å; S1846-I1891 VanDerWaalsContact OG-O 3.07Å; S1846-G1893 PolarHBondContact OG-N 2.95Å; S1846-G1893 PolarHBondContact OG-O 3.15Å; S1846-Y1895 PolarHBondContact N-O 2.84Å; S1846-Y1895 PolarHBondContact OG-N 3.17Å; S1846-Y1895 PolarHBondContact OG-O 2.91Å |
| 1847 | I | 90.3 | Very high | 83.5 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -37.3 | 177.9 | -177 | 153.3 | 0 | 0 | 0 | 112.8 | V1652 I1845 V1850 N1851 Y1892 G1893 I2131 | V1652-I1847 HydrophobicContact CG1-CG2 4.39Å; V1652-I1847 HydrophobicContact CG2-CD1 4.15Å; V1652-I1847 HydrophobicContact CG2-CG2 4.01Å; I1845-I1847 HydrophobicContact CG2-CG2 4.07Å; I1845-I1847 PolarHBondContact O-N 3.29Å; I1847-V1850 PolarHBondContact O-N 3.01Å; I1847-N1851 WeakPolarHBondContact O-CB 3.46Å; I1847-N1851 PolarHBondContact O-N 3.16Å; I1847-Y1892 HydrophobicContact CB-CD2 4.34Å; I1847-Y1892 HydrophobicContact CB-CE2 3.96Å; I1847-Y1892 HydrophobicContact CD1-CE1 4.44Å; I1847-Y1892 HydrophobicContact CD1-CE2 4.09Å; I1847-Y1892 WeakPolarHBondContact CD1-OH 2.78Å; I1847-Y1892 HydrophobicContact CG1-CD2 4.46Å; I1847-Y1892 HydrophobicContact CG1-CE2 3.61Å; I1847-G1893 WeakPolarHBondContact CB-O 3.35Å; I1847-G1893 VanDerWaalsContact CG2-O 3.25Å; I1847-G1893 WeakPolarHBondContact CG2-O 3.48Å; I1847-G1893 PolarHBondContact N-O 2.85Å; I1847-I2131 HydrophobicContact CD1-CD1 3.71Å |
| 1848 | D | 88.9 | Confident | 84.5 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 17% | 0.166 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72 | -33.1 | -179.9 | -65.1 | -86.5 | 0 | 0 | 0 | 112.4 | R1663 L1828 P1829 I1845 S1846 W1852 | R1663-D1848 IonicContact CZ-OD1 3.85Å; R1663-D1848 IonicContact CZ-OD2 3.43Å; R1663-D1848 VanDerWaalsContact CZ-OD2 3.25Å; R1663-D1848 IonicContact NH1-OD1 3.02Å; R1663-D1848 PolarHBondContact NH1-OD1 3.32Å; R1663-D1848 IonicContact NH1-OD2 3.22Å; R1663-D1848 PolarHBondContact NH1-OD2 3.11Å; R1663-D1848 VanDerWaalsContact NH1-OD2 3.11Å; R1663-D1848 IonicContact NH2-OD1 2.77Å; R1663-D1848 PolarHBondContact NH2-OD1 2.83Å; R1663-D1848 IonicContact NH2-OD2 2.74Å; R1663-D1848 PolarHBondContact NH2-OD2 2.99Å; L1828-D1848 HydrophobicContact CD2-CB 4.37Å; P1829-D1848 HydrophobicContact CG-CB 4.26Å; I1845-D1848 PolarHBondContact O-N 2.85Å; I1845-D1848 VanDerWaalsContact O-N 3.1Å; S1846-D1848 VanDerWaalsContact C-N 3.28Å; S1846-D1848 PolarHBondContact O-N 2.7Å; D1848-W1852 WeakPolarHBondContact O-CB 3.48Å; D1848-W1852 PolarHBondContact O-N 2.85Å |
| 1849 | A | 91.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.6 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L1828 F1844 I1845 S1846 W1852 I1853 L1870 | L1828-A1849 HydrophobicContact CD2-CB 3.99Å; F1844-A1849 HydrophobicContact CD2-CB 3.89Å; F1844-A1849 HydrophobicContact CE2-CB 3.57Å; I1845-A1849 PolarHBondContact O-N 3.1Å; S1846-A1849 PolarHBondContact O-N 3.18Å; A1849-W1852 PolarHBondContact O-N 2.63Å; A1849-I1853 WeakPolarHBondContact O-CG1 3.4Å; A1849-I1853 PolarHBondContact O-N 3.01Å; A1849-L1870 HydrophobicContact CB-CD1 3.83Å; A1849-L1870 HydrophobicContact CB-CD2 4.28Å |
| 1850 | V | 89.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -49.3 | 174.7 | 165.7 | 0 | 0 | 0 | 0 | 111 | S1846 I1847 W1852 I1853 I1854 I1863 A1866 I1867 L1870 F1890 Y1892 | S1846-V1850 PolarHBondContact O-N 2.92Å; I1847-V1850 PolarHBondContact O-N 3.01Å; V1850-W1852 VanDerWaalsContact C-N 3.3Å; V1850-W1852 PolarHBondContact O-N 2.79Å; V1850-I1853 PolarHBondContact O-N 2.99Å; V1850-I1854 HydrophobicContact CG1-CD1 3.73Å; V1850-I1854 WeakPolarHBondContact O-CG1 3.49Å; V1850-I1854 PolarHBondContact O-N 2.58Å; V1850-I1863 HydrophobicContact CG1-CB 4.44Å; V1850-I1863 HydrophobicContact CG1-CG1 4.18Å; V1850-I1863 HydrophobicContact CG1-CG2 4.19Å; V1850-A1866 HydrophobicContact CG1-CB 4.04Å; V1850-A1866 HydrophobicContact CG2-CB 4.43Å; V1850-I1867 HydrophobicContact CG2-CG1 4.01Å; V1850-L1870 HydrophobicContact CG2-CD1 3.62Å; V1850-F1890 HydrophobicContact CG2-CE1 4.04Å; V1850-Y1892 HydrophobicContact CB-CD2 3.83Å; V1850-Y1892 HydrophobicContact CB-CE2 3.8Å; V1850-Y1892 HydrophobicContact CG1-CD2 3.95Å; V1850-Y1892 HydrophobicContact CG1-CE2 3.65Å; V1850-Y1892 HydrophobicContact CG2-CD2 3.78Å; V1850-Y1892 HydrophobicContact CG2-CE2 4.28Å |
| 1851 | N | 88.4 | Confident | 85.7 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 34% | 0.337 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.2 | -34.4 | 179.1 | -69.5 | -7.6 | 0 | 0 | 0 | 112.3 | I1847 K1855 | I1847-N1851 WeakPolarHBondContact O-CB 3.46Å; I1847-N1851 PolarHBondContact O-N 3.16Å; N1851-K1855 WeakPolarHBondContact O-CB 3.03Å; N1851-K1855 PolarHBondContact O-N 3.27Å; N1851-K1855 VanDerWaalsContact O-N 3.15Å |
| 1852 | W | 90.8 | Very high | 86.1 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.3 | -43.1 | 175.2 | -178.9 | 96.2 | 0 | 0 | 0 | 111.7 | V1817 M1820 M1821 N1826 G1827 L1828 D1848 A1849 V1850 K1855 W1856 F1857 | V1817-W1852 HydrophobicContact CG1-CZ3 4.18Å; M1820-W1852 HydrophobicContact CB-CH2 3.74Å; M1820-W1852 HydrophobicContact CB-CZ2 3.98Å; M1820-W1852 WeakPolarHBondContact O-CZ2 3.2Å; M1821-W1852 HydrophobicContact CB-CH2 4.49Å; M1821-W1852 HydrophobicContact CE-CE3 4.09Å; M1821-W1852 HydrophobicContact CE-CZ3 3.87Å; M1821-W1852 HydrophobicContact CG-CE3 4.07Å; M1821-W1852 HydrophobicContact CG-CH2 3.69Å; M1821-W1852 HydrophobicContact CG-CZ2 4.29Å; M1821-W1852 HydrophobicContact CG-CZ3 3.55Å; N1826-W1852 PolarHBondContact O-NE1 2.95Å; G1827-W1852 PolarHBondContact O-NE1 3.39Å; L1828-W1852 HydrophobicContact CD1-CB 4Å; L1828-W1852 HydrophobicContact CD1-CD2 3.65Å; L1828-W1852 HydrophobicContact CD1-CE3 3.85Å; L1828-W1852 HydrophobicContact CD1-CG 3.71Å; L1828-W1852 HydrophobicContact CG-CB 4.39Å; L1828-W1852 HydrophobicContact CG-CG 4.31Å; D1848-W1852 WeakPolarHBondContact O-CB 3.48Å; D1848-W1852 PolarHBondContact O-N 2.85Å; A1849-W1852 PolarHBondContact O-N 2.63Å; V1850-W1852 VanDerWaalsContact C-N 3.3Å; V1850-W1852 PolarHBondContact O-N 2.79Å; W1852-K1855 PolarHBondContact O-N 2.96Å; W1852-W1856 AromaticContact CD1-CD1 3.52Å; W1852-W1856 AromaticContact CD1-NE1 3.56Å; W1852-W1856 AromaticContact CD2-CD1 3.76Å; W1852-W1856 AromaticContact CE2-CD1 3.45Å; W1852-W1856 VanDerWaalsContact CE2-CD1 3.45Å; W1852-W1856 AromaticContact CE2-NE1 3.8Å; W1852-W1856 AromaticContact CG-CD1 3.79Å; W1852-W1856 AromaticContact NE1-CD1 3.29Å; W1852-W1856 VanDerWaalsContact NE1-CD1 3.29Å; W1852-W1856 AromaticContact NE1-NE1 3.19Å; W1852-W1856 VanDerWaalsContact NE1-NE1 3.19Å; W1852-W1856 VanDerWaalsContact O-CD1 3.32Å; W1852-W1856 PolarHBondContact O-N 2.81Å; W1852-F1857 HydrophobicContact CH2-CE2 4.1Å; W1852-F1857 HydrophobicContact CH2-CZ 4.45Å; W1852-F1857 AromaticContact CZ3-CE2 3.78Å; W1852-F1857 HydrophobicContact CZ3-CE2 3.78Å |
| 1853 | I | 90.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -51.8 | 175.6 | -75.8 | 179.6 | 0 | 0 | 0 | 111.1 | M1821 A1849 V1850 K1855 W1856 F1857 F1860 A1866 Y1869 L1870 | M1821-I1853 HydrophobicContact CE-CD1 4.24Å; M1821-I1853 HydrophobicContact CE-CG1 4.39Å; A1849-I1853 WeakPolarHBondContact O-CG1 3.4Å; A1849-I1853 PolarHBondContact O-N 3.01Å; V1850-I1853 PolarHBondContact O-N 2.99Å; I1853-K1855 PolarHBondContact O-N 3.12Å; I1853-W1856 PolarHBondContact O-N 2.85Å; I1853-F1857 HydrophobicContact CB-CD2 4.43Å; I1853-F1857 HydrophobicContact CG1-CD2 4.41Å; I1853-F1857 HydrophobicContact CG2-CD2 4.22Å; I1853-F1857 PolarHBondContact O-N 3.4Å; I1853-F1860 HydrophobicContact CG2-CB 4.08Å; I1853-F1860 HydrophobicContact CG2-CD1 4.18Å; I1853-F1860 HydrophobicContact CG2-CD2 3.86Å; I1853-F1860 HydrophobicContact CG2-CE2 4.33Å; I1853-F1860 HydrophobicContact CG2-CG 3.76Å; I1853-A1866 HydrophobicContact CB-CB 4.44Å; I1853-A1866 HydrophobicContact CG2-CB 3.96Å; I1853-Y1869 HydrophobicContact CD1-CD1 3.98Å; I1853-L1870 HydrophobicContact CD1-CD1 3.96Å; I1853-L1870 HydrophobicContact CD1-CD2 3.7Å; I1853-L1870 HydrophobicContact CD1-CG 3.65Å |
| 1854 | I | 87.7 | Confident | 85.8 | Confident | 54 Ų | 54 | 46.4 Ų | 46.4 | 28% | 0.277 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59 | -35.6 | -179.9 | -66 | 166.1 | 0 | 0 | 0 | 111.3 | V1850 I1863 A1866 | V1850-I1854 HydrophobicContact CG1-CD1 3.73Å; V1850-I1854 WeakPolarHBondContact O-CG1 3.49Å; V1850-I1854 PolarHBondContact O-N 2.58Å; I1854-I1863 HydrophobicContact CD1-CG1 3.84Å; I1854-A1866 HydrophobicContact CD1-CB 4.31Å; I1854-A1866 HydrophobicContact CG1-CB 4Å |
| 1855 | K | 86.4 | Confident | 85.5 | Confident | 158 Ų | 158 | 50.5 Ų | 50.5 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -72.4 | -38 | 179 | -178.9 | -169.9 | 171 | -157.6 | 0 | 113.5 | N1851 W1852 I1853 | N1851-K1855 WeakPolarHBondContact O-CB 3.03Å; N1851-K1855 PolarHBondContact O-N 3.27Å; N1851-K1855 VanDerWaalsContact O-N 3.15Å; W1852-K1855 PolarHBondContact O-N 2.96Å; I1853-K1855 PolarHBondContact O-N 3.12Å |
| 1856 | W | 83.5 | Confident | 85.4 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -96.4 | -25.8 | -173.5 | -77.8 | 108.9 | 0 | 0 | 0 | 114.2 | N1826 W1852 I1853 | N1826-W1856 HydrophobicContact CB-CH2 3.9Å; N1826-W1856 HydrophobicContact CB-CZ2 3.51Å; N1826-W1856 PolarHBondContact O-NE1 3.34Å; N1826-W1856 VanDerWaalsContact O-NE1 3.16Å; N1826-W1856 WeakPolarHBondContact OD1-CH2 3.44Å; N1826-W1856 WeakPolarHBondContact OD1-CZ2 2.82Å; W1852-W1856 AromaticContact CD1-CD1 3.52Å; W1852-W1856 AromaticContact CD1-NE1 3.56Å; W1852-W1856 AromaticContact CD2-CD1 3.76Å; W1852-W1856 AromaticContact CE2-CD1 3.45Å; W1852-W1856 VanDerWaalsContact CE2-CD1 3.45Å; W1852-W1856 AromaticContact CE2-NE1 3.8Å; W1852-W1856 AromaticContact CG-CD1 3.79Å; W1852-W1856 AromaticContact NE1-CD1 3.29Å; W1852-W1856 VanDerWaalsContact NE1-CD1 3.29Å; W1852-W1856 AromaticContact NE1-NE1 3.19Å; W1852-W1856 VanDerWaalsContact NE1-NE1 3.19Å; W1852-W1856 VanDerWaalsContact O-CD1 3.32Å; W1852-W1856 PolarHBondContact O-N 2.81Å; I1853-W1856 PolarHBondContact O-N 2.85Å |
| 1857 | F | 83.8 | Confident | 85.2 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 10% | 0.101 | 25% | 0.246 | C | C | . | . | trans | -119.4 | 91.7 | -177.1 | -56.9 | -67.7 | 0 | 0 | 0 | 109.8 | F1806 V1817 M1820 W1852 I1853 D1859 F1860 | F1806-F1857 HydrophobicContact CE2-CB 4.17Å; F1806-F1857 AromaticContact CE2-CD1 3.6Å; F1806-F1857 HydrophobicContact CE2-CD1 3.6Å; F1806-F1857 HydrophobicContact CE2-CE1 4.2Å; F1806-F1857 AromaticContact CE2-CG 3.97Å; F1806-F1857 HydrophobicContact CE2-CG 3.97Å; F1806-F1857 HydrophobicContact CZ-CB 4.39Å; F1806-F1857 AromaticContact CZ-CD1 3.56Å; F1806-F1857 HydrophobicContact CZ-CD1 3.56Å; F1806-F1857 HydrophobicContact CZ-CD2 4.26Å; F1806-F1857 AromaticContact CZ-CE1 3.8Å; F1806-F1857 HydrophobicContact CZ-CE1 3.8Å; F1806-F1857 HydrophobicContact CZ-CE2 4.48Å; F1806-F1857 AromaticContact CZ-CG 3.81Å; F1806-F1857 HydrophobicContact CZ-CG 3.81Å; F1806-F1857 HydrophobicContact CZ-CZ 4.26Å; V1817-F1857 HydrophobicContact CG2-CZ 4.22Å; M1820-F1857 HydrophobicContact CE-CZ 4.4Å; M1820-F1857 HydrophobicContact SD-CZ 4.23Å; W1852-F1857 HydrophobicContact CH2-CE2 4.1Å; W1852-F1857 HydrophobicContact CH2-CZ 4.45Å; W1852-F1857 AromaticContact CZ3-CE2 3.78Å; W1852-F1857 HydrophobicContact CZ3-CE2 3.78Å; I1853-F1857 HydrophobicContact CB-CD2 4.43Å; I1853-F1857 HydrophobicContact CG1-CD2 4.41Å; I1853-F1857 HydrophobicContact CG2-CD2 4.22Å; I1853-F1857 PolarHBondContact O-N 3.4Å; F1857-D1859 PolarHBondContact O-N 3.13Å; F1857-F1860 HydrophobicContact CB-CD2 3.66Å; F1857-F1860 HydrophobicContact CB-CE2 4.17Å; F1857-F1860 PolarHBondContact O-N 3.29Å | ||
| 1858 | P | 75.4 | Confident | 85.1 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 57% | 0.571 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -5 | -171.3 | 27.9 | -36.4 | 0 | 0 | 0 | 115 | F1860 | P1858-F1860 VanDerWaalsContact C-N 3.28Š|
| 1859 | D | 78.4 | Confident | 85.1 | Confident | 94 Ų | 94 | 51.8 Ų | 51.8 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -28.3 | 169.5 | -56.9 | -35.5 | 0 | 0 | 0 | 111.6 | F1857 K1861 | F1857-D1859 PolarHBondContact O-N 3.13Å; D1859-K1861 PolarHBondContact O-N 2.73Å |
| 1860 | F | 77.7 | Confident | 85.1 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | trans | -88.7 | 86.3 | 178.9 | -68.7 | -88.8 | 0 | 0 | 0 | 111.3 | F1806 I1853 F1857 P1858 Q1865 A1866 Y1869 | F1806-F1860 HydrophobicContact CD1-CE2 4.43Å; F1806-F1860 HydrophobicContact CD2-CE2 4.23Å; F1806-F1860 HydrophobicContact CE1-CE2 4.28Å; F1806-F1860 HydrophobicContact CE2-CE2 4.08Å; F1806-F1860 HydrophobicContact CG-CE2 4.42Å; F1806-F1860 HydrophobicContact CZ-CE2 4.1Å; I1853-F1860 HydrophobicContact CG2-CB 4.08Å; I1853-F1860 HydrophobicContact CG2-CD1 4.18Å; I1853-F1860 HydrophobicContact CG2-CD2 3.86Å; I1853-F1860 HydrophobicContact CG2-CE2 4.33Å; I1853-F1860 HydrophobicContact CG2-CG 3.76Å; F1857-F1860 HydrophobicContact CB-CD2 3.66Å; F1857-F1860 HydrophobicContact CB-CE2 4.17Å; F1857-F1860 PolarHBondContact O-N 3.29Å; P1858-F1860 VanDerWaalsContact C-N 3.28Å; F1860-Q1865 HydrophobicContact CD1-CB 3.85Å; F1860-Q1865 HydrophobicContact CE1-CB 4.47Å; F1860-A1866 HydrophobicContact CD1-CB 4.37Å; F1860-Y1869 HydrophobicContact CE1-CG 4.18Å; F1860-Y1869 AromaticContact CZ-CD2 3.95Å; F1860-Y1869 HydrophobicContact CZ-CD2 3.95Å; F1860-Y1869 AromaticContact CZ-CG 3.86Å; F1860-Y1869 HydrophobicContact CZ-CG 3.86Å | ||
| 1861 | K | 77.8 | Confident | 85.1 | Confident | 176 Ų | 176 | 53.3 Ų | 53.3 | 77% | 0.765 | 26% | 0.259 | S | S | * | . | trans | -88 | -9.7 | -176.9 | -62.6 | -171.9 | -179.9 | -175.4 | 0 | 114.3 | D1859 Q1865 | D1859-K1861 PolarHBondContact O-N 2.73Å; K1861-Q1865 VanDerWaalsContact N-OE1 3.07Å | ||
| 1862 | T | 83.3 | Confident | 85.1 | Confident | 54 Ų | 54 | 53.2 Ų | 53.2 | 33% | 0.331 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -131 | 151.7 | 177.5 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | E1864 Q1865 A1866 | T1862-E1864 PolarHBondContact O-N 3.18Å; T1862-Q1865 PolarHBondContact O-N 3.45Å; T1862-Q1865 VanDerWaalsContact OG1-CG 3.28Å; T1862-Q1865 WeakPolarHBondContact OG1-CG 3.36Å; T1862-Q1865 PolarHBondContact OG1-N 3.05Å; T1862-Q1865 PolarHBondContact OG1-OE1 2.99Å; T1862-A1866 PolarHBondContact O-N 3.11Å |
| 1863 | I | 83.1 | Confident | 85 | Confident | 33 Ų | 33 | 52.4 Ų | 52.4 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.7 | -39.5 | 173.8 | -73.1 | 167.9 | 0 | 0 | 0 | 111 | V1850 I1854 Q1865 A1866 I1867 Y1892 H2133 | V1850-I1863 HydrophobicContact CG1-CB 4.44Å; V1850-I1863 HydrophobicContact CG1-CG1 4.18Å; V1850-I1863 HydrophobicContact CG1-CG2 4.19Å; I1854-I1863 HydrophobicContact CD1-CG1 3.84Å; I1863-Q1865 PolarHBondContact O-N 3.11Å; I1863-A1866 PolarHBondContact O-N 2.83Å; I1863-I1867 HydrophobicContact CG2-CD1 3.6Å; I1863-I1867 HydrophobicContact CG2-CG1 4.28Å; I1863-I1867 VanDerWaalsContact O-CG1 3.29Å; I1863-I1867 WeakPolarHBondContact O-CG1 3.14Å; I1863-I1867 PolarHBondContact O-N 2.9Å; I1863-Y1892 HydrophobicContact CD1-CE1 4.48Å; I1863-Y1892 HydrophobicContact CG2-CD1 4.31Å; I1863-Y1892 HydrophobicContact CG2-CD2 4.44Å; I1863-Y1892 HydrophobicContact CG2-CE1 4.28Å; I1863-Y1892 HydrophobicContact CG2-CE2 4.39Å; I1863-Y1892 HydrophobicContact CG2-CG 4.39Å; I1863-H2133 HydrophobicContact CD1-CB 4.29Å |
| 1864 | E | 82 | Confident | 84.9 | Confident | 54 Ų | 54 | 53 Ų | 53 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 178.1 | -62.8 | 159.1 | 170.8 | 0 | 0 | 112.1 | T1862 I1867 L1868 | T1862-E1864 PolarHBondContact O-N 3.18Å; E1864-I1867 PolarHBondContact O-N 2.83Å; E1864-L1868 PolarHBondContact O-N 3.44Å |
| 1865 | Q | 84 | Confident | 84.8 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 177.2 | -70.6 | 167.7 | -29.6 | 0 | 0 | 112.2 | F1860 K1861 T1862 I1863 L1868 Y1869 | F1860-Q1865 HydrophobicContact CD1-CB 3.85Å; F1860-Q1865 HydrophobicContact CE1-CB 4.47Å; K1861-Q1865 VanDerWaalsContact N-OE1 3.07Å; T1862-Q1865 PolarHBondContact O-N 3.45Å; T1862-Q1865 VanDerWaalsContact OG1-CG 3.28Å; T1862-Q1865 WeakPolarHBondContact OG1-CG 3.36Å; T1862-Q1865 PolarHBondContact OG1-N 3.05Å; T1862-Q1865 PolarHBondContact OG1-OE1 2.99Å; I1863-Q1865 PolarHBondContact O-N 3.11Å; Q1865-L1868 PolarHBondContact O-N 3.22Å; Q1865-Y1869 PolarHBondContact O-N 2.76Å; Q1865-Y1869 VanDerWaalsContact O-N 3.16Å |
| 1866 | A | 88.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1850 I1853 I1854 F1860 T1862 I1863 Y1869 L1870 | V1850-A1866 HydrophobicContact CG1-CB 4.04Å; V1850-A1866 HydrophobicContact CG2-CB 4.43Å; I1853-A1866 HydrophobicContact CB-CB 4.44Å; I1853-A1866 HydrophobicContact CG2-CB 3.96Å; I1854-A1866 HydrophobicContact CD1-CB 4.31Å; I1854-A1866 HydrophobicContact CG1-CB 4Å; F1860-A1866 HydrophobicContact CD1-CB 4.37Å; T1862-A1866 PolarHBondContact O-N 3.11Å; I1863-A1866 PolarHBondContact O-N 2.83Å; A1866-Y1869 PolarHBondContact O-N 2.84Å; A1866-L1870 WeakPolarHBondContact O-CG 3.4Å; A1866-L1870 PolarHBondContact O-N 3.42Å; A1866-L1870 VanDerWaalsContact O-N 3.1Å |
| 1867 | I | 87.5 | Confident | 84.7 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.046 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 171.2 | -71.4 | 166.8 | 0 | 0 | 0 | 110.5 | V1850 I1863 E1864 Y1869 L1870 Q1871 F1890 Y1892 F2229 | V1850-I1867 HydrophobicContact CG2-CG1 4.01Å; I1863-I1867 HydrophobicContact CG2-CD1 3.6Å; I1863-I1867 HydrophobicContact CG2-CG1 4.28Å; I1863-I1867 VanDerWaalsContact O-CG1 3.29Å; I1863-I1867 WeakPolarHBondContact O-CG1 3.14Å; I1863-I1867 PolarHBondContact O-N 2.9Å; E1864-I1867 PolarHBondContact O-N 2.83Å; I1867-Y1869 VanDerWaalsContact C-N 3.31Å; I1867-Y1869 PolarHBondContact O-N 2.85Å; I1867-L1870 PolarHBondContact O-N 2.89Å; I1867-Q1871 WeakPolarHBondContact O-CB 3.46Å; I1867-Q1871 PolarHBondContact O-N 3.07Å; I1867-F1890 HydrophobicContact CG2-CD1 4.38Å; I1867-Y1892 HydrophobicContact CD1-CG 4.22Å; I1867-F2229 HydrophobicContact CG2-CD1 4.46Å; I1867-F2229 HydrophobicContact CG2-CE1 3.7Å; I1867-F2229 HydrophobicContact CG2-CE2 4.44Å; I1867-F2229 HydrophobicContact CG2-CZ 3.7Å |
| 1868 | L | 88.2 | Confident | 84.8 | Confident | 53 Ų | 53 | 48.3 Ų | 48.3 | 28% | 0.277 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -39.5 | 178.2 | -85.3 | 163 | 0 | 0 | 0 | 112.7 | E1864 Q1865 Q1872 | E1864-L1868 PolarHBondContact O-N 3.44Å; Q1865-L1868 PolarHBondContact O-N 3.22Å; L1868-Q1872 VanDerWaalsContact O-CG 3.31Å; L1868-Q1872 WeakPolarHBondContact O-CG 3.5Å; L1868-Q1872 PolarHBondContact O-N 3.04Å; L1868-Q1872 VanDerWaalsContact O-N 3.12Å |
| 1869 | Y | 90 | Very high | 85.4 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.2 | -39.1 | 176.8 | -173.9 | -95 | 0 | 0 | 0 | 113 | F1806 Y1814 V1817 I1853 F1860 Q1865 A1866 I1867 Q1872 M1873 | F1806-Y1869 HydrophobicContact CD1-CD2 4.48Å; F1806-Y1869 AromaticContact CD1-CE2 3.73Å; F1806-Y1869 HydrophobicContact CD1-CE2 3.73Å; F1806-Y1869 HydrophobicContact CE1-CE1 4.37Å; F1806-Y1869 AromaticContact CE1-CE2 3.87Å; F1806-Y1869 HydrophobicContact CE1-CE2 3.87Å; F1806-Y1869 AromaticContact CE1-CZ 3.69Å; Y1814-Y1869 HydrophobicContact CD1-CE1 4.45Å; Y1814-Y1869 HydrophobicContact CD1-CE2 4.29Å; Y1814-Y1869 AromaticContact CD1-CZ 3.81Å; Y1814-Y1869 WeakPolarHBondContact CD1-OH 3.38Å; Y1814-Y1869 AromaticContact CE1-CE2 3.75Å; Y1814-Y1869 HydrophobicContact CE1-CE2 3.75Å; Y1814-Y1869 AromaticContact CE1-CZ 3.75Å; V1817-Y1869 HydrophobicContact CG1-CE1 4.4Å; V1817-Y1869 HydrophobicContact CG2-CE1 4.35Å; I1853-Y1869 HydrophobicContact CD1-CD1 3.98Å; F1860-Y1869 HydrophobicContact CE1-CG 4.18Å; F1860-Y1869 AromaticContact CZ-CD2 3.95Å; F1860-Y1869 HydrophobicContact CZ-CD2 3.95Å; F1860-Y1869 AromaticContact CZ-CG 3.86Å; F1860-Y1869 HydrophobicContact CZ-CG 3.86Å; Q1865-Y1869 PolarHBondContact O-N 2.76Å; Q1865-Y1869 VanDerWaalsContact O-N 3.16Å; A1866-Y1869 PolarHBondContact O-N 2.84Å; I1867-Y1869 VanDerWaalsContact C-N 3.31Å; I1867-Y1869 PolarHBondContact O-N 2.85Å; Y1869-Q1872 PolarHBondContact O-N 3.37Å; Y1869-M1873 HydrophobicContact CD1-SD 4.29Å; Y1869-M1873 HydrophobicContact CE1-CG 4.08Å; Y1869-M1873 HydrophobicContact CE1-SD 3.7Å; Y1869-M1873 PolarHBondContact O-N 3Å |
| 1870 | L | 90.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.9 | -34.6 | 175.6 | -73 | 166.6 | 0 | 0 | 0 | 112.4 | M1821 A1849 V1850 I1853 A1866 I1867 Q1872 M1873 L1874 I1879 F1890 | M1821-L1870 HydrophobicContact CE-CD2 3.95Å; A1849-L1870 HydrophobicContact CB-CD1 3.83Å; A1849-L1870 HydrophobicContact CB-CD2 4.28Å; V1850-L1870 HydrophobicContact CG2-CD1 3.62Å; I1853-L1870 HydrophobicContact CD1-CD1 3.96Å; I1853-L1870 HydrophobicContact CD1-CD2 3.7Å; I1853-L1870 HydrophobicContact CD1-CG 3.65Å; A1866-L1870 WeakPolarHBondContact O-CG 3.4Å; A1866-L1870 PolarHBondContact O-N 3.42Å; A1866-L1870 VanDerWaalsContact O-N 3.1Å; I1867-L1870 PolarHBondContact O-N 2.89Å; L1870-Q1872 VanDerWaalsContact C-N 3.34Å; L1870-M1873 HydrophobicContact CD2-SD 4.49Å; L1870-M1873 PolarHBondContact O-N 2.71Å; L1870-L1874 PolarHBondContact O-N 3.27Å; L1870-I1879 HydrophobicContact CD2-CD1 3.93Å; L1870-F1890 HydrophobicContact CB-CD1 3.95Å; L1870-F1890 HydrophobicContact CB-CD2 4.12Å; L1870-F1890 HydrophobicContact CB-CE1 3.92Å; L1870-F1890 HydrophobicContact CB-CE2 4.09Å; L1870-F1890 HydrophobicContact CB-CG 4.06Å; L1870-F1890 HydrophobicContact CB-CZ 3.99Å; L1870-F1890 HydrophobicContact CD1-CE1 3.7Å; L1870-F1890 HydrophobicContact CD1-CE2 4.27Å; L1870-F1890 HydrophobicContact CD1-CZ 3.54Å; L1870-F1890 HydrophobicContact CG-CE1 4.45Å; L1870-F1890 HydrophobicContact CG-CZ 4.29Å |
| 1871 | Q | 89.2 | Confident | 86.2 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 15% | 0.154 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 170.4 | 178.8 | 60.7 | 25.1 | 0 | 0 | 111.2 | I1867 L1874 E1875 F1890 | I1867-Q1871 WeakPolarHBondContact O-CB 3.46Å; I1867-Q1871 PolarHBondContact O-N 3.07Å; Q1871-L1874 WeakPolarHBondContact O-CB 3.35Å; Q1871-L1874 PolarHBondContact O-N 3.23Å; Q1871-E1875 WeakPolarHBondContact CG-OE1 3.36Å; Q1871-E1875 PolarHBondContact NE2-OE1 3.45Å; Q1871-E1875 WeakPolarHBondContact O-CG 3.47Å; Q1871-E1875 PolarHBondContact O-N 3.19Å; Q1871-F1890 HydrophobicContact CB-CB 4.35Å |
| 1872 | Q | 88.4 | Confident | 86.5 | Confident | 61 Ų | 61 | 31.7 Ų | 31.7 | 29% | 0.285 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 175.2 | -69.1 | 167 | 21.9 | 0 | 0 | 112.6 | N1809 L1868 Y1869 L1870 L1874 E1875 A1876 | N1809-Q1872 PolarHBondContact ND2-OE1 2.82Å; L1868-Q1872 VanDerWaalsContact O-CG 3.31Å; L1868-Q1872 WeakPolarHBondContact O-CG 3.5Å; L1868-Q1872 PolarHBondContact O-N 3.04Å; L1868-Q1872 VanDerWaalsContact O-N 3.12Å; Y1869-Q1872 PolarHBondContact O-N 3.37Å; L1870-Q1872 VanDerWaalsContact C-N 3.34Å; Q1872-L1874 VanDerWaalsContact C-N 3.29Å; Q1872-L1874 PolarHBondContact O-N 2.77Å; Q1872-E1875 PolarHBondContact O-N 3.28Å; Q1872-A1876 VanDerWaalsContact O-CB 3.23Å; Q1872-A1876 WeakPolarHBondContact O-CB 3.47Å; Q1872-A1876 PolarHBondContact O-N 3.03Å |
| 1873 | M | 89.4 | Confident | 86 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -34.1 | 172.4 | -80.2 | -174 | 67 | 0 | 0 | 112.7 | Y1814 V1817 Y1869 L1870 G1877 W1878 I1879 | Y1814-M1873 HydrophobicContact CD1-CB 4.49Å; Y1814-M1873 HydrophobicContact CD1-CG 3.32Å; Y1814-M1873 HydrophobicContact CD1-SD 4.3Å; Y1814-M1873 HydrophobicContact CE1-CG 3.82Å; Y1814-M1873 HydrophobicContact CG-CG 3.94Å; V1817-M1873 HydrophobicContact CB-SD 4.44Å; V1817-M1873 HydrophobicContact CG1-CE 4.4Å; V1817-M1873 HydrophobicContact CG1-SD 3.98Å; Y1869-M1873 HydrophobicContact CD1-SD 4.29Å; Y1869-M1873 HydrophobicContact CE1-CG 4.08Å; Y1869-M1873 HydrophobicContact CE1-SD 3.7Å; Y1869-M1873 PolarHBondContact O-N 3Å; L1870-M1873 HydrophobicContact CD2-SD 4.49Å; L1870-M1873 PolarHBondContact O-N 2.71Å; M1873-G1877 PolarHBondContact O-N 3.04Å; M1873-W1878 HydrophobicContact CE-CB 4.09Å; M1873-W1878 PolarHBondContact O-N 3.33Å; M1873-I1879 HydrophobicContact CB-CD1 3.61Å; M1873-I1879 HydrophobicContact CB-CG1 3.82Å; M1873-I1879 HydrophobicContact CE-CD1 4.34Å; M1873-I1879 HydrophobicContact CE-CG1 4.22Å |
| 1874 | L | 88.3 | Confident | 85.4 | Confident | 13 Ų | 13 | 30.5 Ų | 30.5 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.5 | -46.1 | 175.6 | -174.9 | 154.1 | 0 | 0 | 0 | 111.3 | L1870 Q1871 Q1872 A1876 G1877 I1879 H1888 F1890 Y1897 | L1870-L1874 PolarHBondContact O-N 3.27Å; Q1871-L1874 WeakPolarHBondContact O-CB 3.35Å; Q1871-L1874 PolarHBondContact O-N 3.23Å; Q1872-L1874 VanDerWaalsContact C-N 3.29Å; Q1872-L1874 PolarHBondContact O-N 2.77Å; L1874-A1876 VanDerWaalsContact C-N 3.3Å; L1874-A1876 PolarHBondContact O-N 2.99Å; L1874-G1877 PolarHBondContact O-N 3.32Å; L1874-I1879 HydrophobicContact CB-CB 4.5Å; L1874-H1888 WeakPolarHBondContact CD1-O 3.43Å; L1874-F1890 HydrophobicContact CD1-CB 4.31Å; L1874-Y1897 HydrophobicContact CD1-CD1 4.05Å; L1874-Y1897 HydrophobicContact CD1-CE1 3.65Å |
| 1875 | E | 85.5 | Confident | 84.9 | Confident | 130 Ų | 130 | 30.2 Ų | 30.2 | 61% | 0.607 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -63.1 | -35.2 | 175.4 | -73 | 171.1 | -168.4 | 0 | 0 | 112.6 | Q1871 Q1872 G1877 | Q1871-E1875 WeakPolarHBondContact CG-OE1 3.36Å; Q1871-E1875 PolarHBondContact NE2-OE1 3.45Å; Q1871-E1875 WeakPolarHBondContact O-CG 3.47Å; Q1871-E1875 PolarHBondContact O-N 3.19Å; Q1872-E1875 PolarHBondContact O-N 3.28Å; E1875-G1877 PolarHBondContact O-N 3.39Å |
| 1876 | A | 84.3 | Confident | 84.1 | Confident | 41 Ų | 41 | 30.1 Ų | 30.1 | 34% | 0.339 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y1814 Q1872 L1874 | Y1814-A1876 HydrophobicContact CD2-CB 3.87Å; Y1814-A1876 HydrophobicContact CE2-CB 3.77Å; Q1872-A1876 VanDerWaalsContact O-CB 3.23Å; Q1872-A1876 WeakPolarHBondContact O-CB 3.47Å; Q1872-A1876 PolarHBondContact O-N 3.03Å; L1874-A1876 VanDerWaalsContact C-N 3.3Å; L1874-A1876 PolarHBondContact O-N 2.99Å |
| 1877 | G | 84.3 | Confident | 83.2 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 11.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | M1873 L1874 E1875 I1879 L1900 | M1873-G1877 PolarHBondContact O-N 3.04Å; L1874-G1877 PolarHBondContact O-N 3.32Å; E1875-G1877 PolarHBondContact O-N 3.39Å; G1877-I1879 VanDerWaalsContact C-N 3.33Å; G1877-L1900 WeakPolarHBondContact O-CD1 3.45Å |
| 1878 | W | 84.3 | Confident | 82.8 | Confident | 39 Ų | 39 | 39.6 Ų | 39.6 | 15% | 0.148 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -80.2 | -17.4 | 176.6 | -68.6 | 95.6 | 0 | 0 | 0 | 113.3 | N1811 Y1814 Y1815 M1873 L1900 | N1811-W1878 HydrophobicContact CB-CZ2 4.08Å; N1811-W1878 WeakPolarHBondContact O-CZ2 3.36Å; N1811-W1878 PolarHBondContact OD1-NE1 3.48Å; Y1814-W1878 VanDerWaalsContact CB-CD1 3.43Å; Y1814-W1878 AromaticContact CD2-CD1 3.77Å; Y1814-W1878 AromaticContact CD2-NE1 3.79Å; Y1814-W1878 AromaticContact CG-CD1 3.9Å; Y1815-W1878 AromaticContact CD2-CH2 3.8Å; Y1815-W1878 HydrophobicContact CD2-CH2 3.8Å; Y1815-W1878 AromaticContact CD2-CZ3 3.71Å; Y1815-W1878 HydrophobicContact CD2-CZ3 3.71Å; Y1815-W1878 HydrophobicContact CG-CH2 4.15Å; Y1815-W1878 HydrophobicContact CG-CZ3 4.41Å; M1873-W1878 HydrophobicContact CE-CB 4.09Å; M1873-W1878 PolarHBondContact O-N 3.33Å; W1878-L1900 PolarHBondContact O-N 2.9Å |
| 1879 | I | 88.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.2 | 175.4 | -27.9 | 175.6 | 0 | 0 | 0 | 108.2 | F1844 L1870 M1873 L1874 G1877 Y1897 T1898 L1899 | F1844-I1879 HydrophobicContact CE1-CG2 3.9Å; F1844-I1879 HydrophobicContact CZ-CD1 4.46Å; F1844-I1879 HydrophobicContact CZ-CG2 3.64Å; L1870-I1879 HydrophobicContact CD2-CD1 3.93Å; M1873-I1879 HydrophobicContact CB-CD1 3.61Å; M1873-I1879 HydrophobicContact CB-CG1 3.82Å; M1873-I1879 HydrophobicContact CE-CD1 4.34Å; M1873-I1879 HydrophobicContact CE-CG1 4.22Å; L1874-I1879 HydrophobicContact CB-CB 4.5Å; G1877-I1879 VanDerWaalsContact C-N 3.33Å; I1879-Y1897 HydrophobicContact CG2-CD1 4.32Å; I1879-Y1897 HydrophobicContact CG2-CG 4.43Å; I1879-T1898 WeakPolarHBondContact CG2-O 3.44Å; I1879-L1899 HydrophobicContact CG1-CD1 4.43Å |
| 1880 | C | 87 | Confident | 82.4 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 15% | 0.149 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 160.1 | 160.1 | 70.1 | 0 | 0 | 0 | 0 | 111 | Y1897 T1898 L1900 | C1880-Y1897 CarbonylContact O-C 3.58Å; C1880-Y1897 WeakPolarHBondContact O-CA 3.18Å; C1880-T1898 PolarHBondContact N-O 3.3Å; C1880-T1898 VanDerWaalsContact N-O 3.1Å; C1880-T1898 PolarHBondContact O-N 3.44Å; C1880-L1900 HydrophobicContact CB-CD1 4Å |
| 1881 | H | 86.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 138 | 164.9 | -168.7 | -97.5 | 0 | 0 | 0 | 109.4 | S1883 G1884 H1888 Y1895 F1896 Y1897 F2122 E2128 | H1881-S1883 PolarHBondContact ND1-OG 2.8Å; H1881-S1883 PolarHBondContact O-N 3.01Å; H1881-G1884 PolarHBondContact O-N 3.39Å; H1881-H1888 HydrophobicContact CB-CB 3.77Å; H1881-H1888 AromaticContact CD2-CE1 3.88Å; H1881-H1888 AromaticContact CD2-CG 3.9Å; H1881-H1888 AromaticContact CD2-ND1 3.66Å; H1881-H1888 AromaticContact CG-CG 3.89Å; H1881-H1888 AromaticContact NE2-CE1 3.98Å; H1881-Y1895 AromaticContact NE2-CD1 3.89Å; H1881-F1896 PolarHBondContact CD2-O 2.72Å; H1881-F1896 VanDerWaalsContact CD2-O 3.25Å; H1881-Y1897 HydrophobicContact CB-CD1 4.34Å; H1881-Y1897 HydrophobicContact CB-CE1 4.08Å; H1881-Y1897 AromaticContact CD2-CE1 3.82Å; H1881-Y1897 AromaticContact CD2-CZ 3.74Å; H1881-F2122 AromaticContact CE1-CE1 3.94Å; H1881-E2128 IonicContact CE1-OE1 3.82Å; H1881-E2128 PolarHBondContact CE1-OE1 2.79Å; H1881-E2128 IonicContact CE1-OE2 2.72Å; H1881-E2128 IonicContact NE2-OE1 3.7Å; H1881-E2128 PolarHBondContact NE2-OE1 2.8Å; H1881-E2128 VanDerWaalsContact NE2-OE1 3.14Å; H1881-E2128 IonicContact NE2-OE2 3.59Å |
| 1882 | T | 83.5 | Confident | 82.1 | Confident | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18.3 | -169.4 | -58.1 | 0 | 0 | 0 | 0 | 114.2 | F1839 P1840 T1843 G1884 F1896 Y1897 T1898 F2122 | F1839-T1882 HydrophobicContact CD1-CG2 3.97Å; F1839-T1882 HydrophobicContact CE1-CG2 4.3Å; P1840-T1882 HydrophobicContact CG-CG2 4.12Å; T1843-T1882 HydrophobicContact CG2-CG2 4.09Å; T1843-T1882 WeakPolarHBondContact CG2-OG1 3.49Å; T1882-G1884 PolarHBondContact O-N 3.48Å; T1882-F1896 PolarHBondContact N-O 3.42Å; T1882-F1896 VanDerWaalsContact N-O 3.08Å; T1882-F1896 VanDerWaalsContact OG1-C 3.3Å; T1882-F1896 PolarHBondContact OG1-O 3.37Å; T1882-Y1897 PolarHBondContact OG1-N 3.01Å; T1882-T1898 PolarHBondContact OG1-OG1 2.72Å; T1882-F2122 HydrophobicContact CG2-CE2 3.88Å; T1882-F2122 HydrophobicContact CG2-CZ 4.09Å |
| 1883 | S | 73.8 | Confident | 82.2 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 1.5 | 169.4 | 68.5 | 0 | 0 | 0 | 0 | 115.4 | H1881 N1885 | H1881-S1883 PolarHBondContact ND1-OG 2.8Å; H1881-S1883 PolarHBondContact O-N 3.01Å; S1883-N1885 VanDerWaalsContact C-N 3.29Å; S1883-N1885 PolarHBondContact O-N 3.05Å |
| 1884 | G | 70 | Confident | 82.2 | Confident | 54 Ų | 54 | 36.3 Ų | 36.3 | 56% | 0.557 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 80 | 0.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1881 T1882 S1886 | H1881-G1884 PolarHBondContact O-N 3.39Å; T1882-G1884 PolarHBondContact O-N 3.48Å; G1884-S1886 PolarHBondContact O-N 2.81Å |
| 1885 | N | 71.1 | Confident | 82.3 | Confident | 48 Ų | 48 | 35.9 Ų | 35.9 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | trans | -83.7 | 100.6 | 178.7 | 180 | 15.2 | 0 | 0 | 0 | 111.8 | S1883 K1887 H1888 T2119 | S1883-N1885 VanDerWaalsContact C-N 3.29Å; S1883-N1885 PolarHBondContact O-N 3.05Å; N1885-K1887 PolarHBondContact O-N 2.95Å; N1885-K1887 WeakPolarHBondContact OD1-CB 3.5Å; N1885-K1887 PolarHBondContact OD1-N 2.88Å; N1885-H1888 PolarHBondContact O-N 3.2Å; N1885-T2119 HydrophobicContact CB-CG2 3.72Å | ||
| 1886 | S | 67.7 | Low | 82.5 | Confident | 83 Ų | 83 | 29.8 Ų | 29.8 | 58% | 0.58 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -2.9 | 175.2 | 55.2 | 0 | 0 | 0 | 0 | 115.2 | G1884 | G1884-S1886 PolarHBondContact O-N 2.81Š|
| 1887 | K | 70.1 | Confident | 82.8 | Confident | 183 Ų | 183 | 27.8 Ų | 27.8 | 80% | 0.796 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 2.3 | 173.2 | -57.9 | -173.9 | 177.4 | -174 | 0 | 113.8 | N1885 V1889 | N1885-K1887 PolarHBondContact O-N 2.95Å; N1885-K1887 WeakPolarHBondContact OD1-CB 3.5Å; N1885-K1887 PolarHBondContact OD1-N 2.88Å; K1887-V1889 PolarHBondContact O-N 3.03Å |
| 1888 | H | 78.8 | Confident | 83 | Confident | 26 Ų | 26 | 27.6 Ų | 27.6 | 12% | 0.12 | 16% | 0.157 | C | C | . | . | trans | -77.4 | 119 | 178 | -165.8 | -74.6 | 0 | 0 | 0 | 109.8 | L1874 H1881 N1885 Y1895 Y1897 | L1874-H1888 WeakPolarHBondContact CD1-O 3.43Å; H1881-H1888 HydrophobicContact CB-CB 3.77Å; H1881-H1888 AromaticContact CD2-CE1 3.88Å; H1881-H1888 AromaticContact CD2-CG 3.9Å; H1881-H1888 AromaticContact CD2-ND1 3.66Å; H1881-H1888 AromaticContact CG-CG 3.89Å; H1881-H1888 AromaticContact NE2-CE1 3.98Å; N1885-H1888 PolarHBondContact O-N 3.2Å; H1888-Y1895 AromaticContact CE1-CD1 3.87Å; H1888-Y1895 AromaticContact CE1-CE1 3.84Å; H1888-Y1897 PolarHBondContact ND1-OH 3.47Å | ||
| 1889 | V | 82.3 | Confident | 83.2 | Confident | 49 Ų | 49 | 26 Ų | 26 | 30% | 0.297 | 15% | 0.151 | S | C | . | . | trans | -59.9 | 146.6 | 176 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | K1887 I1891 Y1897 | K1887-V1889 PolarHBondContact O-N 3.03Å; V1889-I1891 PolarHBondContact O-N 2.91Å; V1889-Y1897 PolarHBondContact O-OH 3.49Å; V1889-Y1897 VanDerWaalsContact O-OH 3.06Å | ||
| 1890 | F | 87.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -70.1 | 112 | 174.7 | -169.9 | -90.4 | 0 | 0 | 0 | 110.8 | S1846 V1850 I1867 L1870 Q1871 L1874 Y1897 | S1846-F1890 VanDerWaalsContact CB-CZ 3.5Å; V1850-F1890 HydrophobicContact CG2-CE1 4.04Å; I1867-F1890 HydrophobicContact CG2-CD1 4.38Å; L1870-F1890 HydrophobicContact CB-CD1 3.95Å; L1870-F1890 HydrophobicContact CB-CD2 4.12Å; L1870-F1890 HydrophobicContact CB-CE1 3.92Å; L1870-F1890 HydrophobicContact CB-CE2 4.09Å; L1870-F1890 HydrophobicContact CB-CG 4.06Å; L1870-F1890 HydrophobicContact CB-CZ 3.99Å; L1870-F1890 HydrophobicContact CD1-CE1 3.7Å; L1870-F1890 HydrophobicContact CD1-CE2 4.27Å; L1870-F1890 HydrophobicContact CD1-CZ 3.54Å; L1870-F1890 HydrophobicContact CG-CE1 4.45Å; L1870-F1890 HydrophobicContact CG-CZ 4.29Å; Q1871-F1890 HydrophobicContact CB-CB 4.35Å; L1874-F1890 HydrophobicContact CD1-CB 4.31Å; F1890-Y1897 HydrophobicContact CD2-CD1 4.06Å; F1890-Y1897 HydrophobicContact CD2-CD2 4.12Å; F1890-Y1897 AromaticContact CD2-CE1 3.84Å; F1890-Y1897 HydrophobicContact CD2-CE1 3.84Å; F1890-Y1897 AromaticContact CD2-CE2 3.89Å; F1890-Y1897 HydrophobicContact CD2-CE2 3.89Å; F1890-Y1897 HydrophobicContact CD2-CG 4.23Å; F1890-Y1897 AromaticContact CD2-CZ 3.78Å; F1890-Y1897 HydrophobicContact CE2-CD1 4.33Å; F1890-Y1897 AromaticContact CE2-CD2 3.74Å; F1890-Y1897 HydrophobicContact CE2-CD2 3.74Å; F1890-Y1897 HydrophobicContact CE2-CE1 4.42Å; F1890-Y1897 AromaticContact CE2-CE2 3.83Å; F1890-Y1897 HydrophobicContact CE2-CE2 3.83Å; F1890-Y1897 HydrophobicContact CE2-CG 4.03Å | ||
| 1891 | I | 86.3 | Confident | 82.3 | Confident | 16 Ų | 16 | 30.6 Ų | 30.6 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | trans | -109.9 | 126.2 | 179.8 | -53.1 | 178.6 | 0 | 0 | 0 | 110 | S1846 V1889 G1893 Y1895 Y1897 L2233 | S1846-I1891 VanDerWaalsContact CB-O 3.25Å; S1846-I1891 WeakPolarHBondContact CB-O 3.29Å; S1846-I1891 PolarHBondContact OG-O 3.06Å; S1846-I1891 VanDerWaalsContact OG-O 3.07Å; V1889-I1891 PolarHBondContact O-N 2.91Å; I1891-G1893 PolarHBondContact O-N 2.87Å; I1891-Y1895 HydrophobicContact CB-CD2 3.79Å; I1891-Y1895 HydrophobicContact CB-CE1 4.46Å; I1891-Y1895 HydrophobicContact CB-CE2 3.71Å; I1891-Y1895 HydrophobicContact CB-CG 4.24Å; I1891-Y1895 HydrophobicContact CD1-CE1 4Å; I1891-Y1895 HydrophobicContact CD1-CE2 4.29Å; I1891-Y1895 HydrophobicContact CG2-CD2 3.82Å; I1891-Y1895 HydrophobicContact CG2-CE2 3.37Å; I1891-Y1897 PolarHBondContact N-OH 3.06Å; I1891-L2233 HydrophobicContact CD1-CD2 3.96Å; I1891-L2233 HydrophobicContact CG1-CD2 4.12Å | ||
| 1892 | Y | 87.7 | Confident | 81 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -73.3 | 121 | 176 | 175.7 | -106.7 | 0 | 0 | 0 | 112 | I1847 V1850 I1863 I1867 S2130 I2131 | I1847-Y1892 HydrophobicContact CB-CD2 4.34Å; I1847-Y1892 HydrophobicContact CB-CE2 3.96Å; I1847-Y1892 HydrophobicContact CD1-CE1 4.44Å; I1847-Y1892 HydrophobicContact CD1-CE2 4.09Å; I1847-Y1892 WeakPolarHBondContact CD1-OH 2.78Å; I1847-Y1892 HydrophobicContact CG1-CD2 4.46Å; I1847-Y1892 HydrophobicContact CG1-CE2 3.61Å; V1850-Y1892 HydrophobicContact CB-CD2 3.83Å; V1850-Y1892 HydrophobicContact CB-CE2 3.8Å; V1850-Y1892 HydrophobicContact CG1-CD2 3.95Å; V1850-Y1892 HydrophobicContact CG1-CE2 3.65Å; V1850-Y1892 HydrophobicContact CG2-CD2 3.78Å; V1850-Y1892 HydrophobicContact CG2-CE2 4.28Å; I1863-Y1892 HydrophobicContact CD1-CE1 4.48Å; I1863-Y1892 HydrophobicContact CG2-CD1 4.31Å; I1863-Y1892 HydrophobicContact CG2-CD2 4.44Å; I1863-Y1892 HydrophobicContact CG2-CE1 4.28Å; I1863-Y1892 HydrophobicContact CG2-CE2 4.39Å; I1863-Y1892 HydrophobicContact CG2-CG 4.39Å; I1867-Y1892 HydrophobicContact CD1-CG 4.22Å; Y1892-S2130 WeakPolarHBondContact O-CA 3.48Å; Y1892-I2131 HydrophobicContact CD1-CB 4.33Å; Y1892-I2131 VanDerWaalsContact CD1-O 3.31Å; Y1892-I2131 WeakPolarHBondContact CD1-O 3.46Å; Y1892-I2131 HydrophobicContact CE1-CB 4.17Å; Y1892-I2131 HydrophobicContact CE1-CG2 4.15Å; Y1892-I2131 PolarHBondContact O-N 3.05Å |
| 1893 | G | 88.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | 159.8 | -132.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1846 I1847 I1891 I2129 | S1846-G1893 PolarHBondContact OG-N 2.95Å; S1846-G1893 PolarHBondContact OG-O 3.15Å; I1847-G1893 WeakPolarHBondContact CB-O 3.35Å; I1847-G1893 VanDerWaalsContact CG2-O 3.25Å; I1847-G1893 WeakPolarHBondContact CG2-O 3.48Å; I1847-G1893 PolarHBondContact N-O 2.85Å; I1891-G1893 PolarHBondContact O-N 2.87Å; G1893-I2129 CarbonylContact C-O 3.29Å; G1893-I2129 WeakPolarHBondContact CA-O 3.4Å |
| 1894 | T | 90.4 | Very high | 77.6 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -99.1 | 20.8 | 178.5 | 75.6 | 0 | 0 | 0 | 0 | 113.8 | V1652 I1655 A2127 I2129 | V1652-T1894 HydrophobicContact CG2-CG2 4.32Å; I1655-T1894 HydrophobicContact CB-CG2 4.21Å; I1655-T1894 HydrophobicContact CG1-CG2 4.38Å; I1655-T1894 HydrophobicContact CG2-CG2 4.08Å; T1894-A2127 PolarHBondContact OG1-O 3.44Å; T1894-I2129 PolarHBondContact N-O 2.8Å; T1894-I2129 PolarHBondContact OG1-N 2.93Å |
| 1895 | Y | 90.4 | Very high | 75.8 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | trans | -73.5 | 145.8 | 178.1 | -72.6 | -96.6 | 0 | 0 | 0 | 112.5 | S1846 H1881 H1888 I1891 E2128 K2260 | S1846-Y1895 PolarHBondContact N-O 2.84Å; S1846-Y1895 PolarHBondContact OG-N 3.17Å; S1846-Y1895 PolarHBondContact OG-O 2.91Å; H1881-Y1895 AromaticContact NE2-CD1 3.89Å; H1888-Y1895 AromaticContact CE1-CD1 3.87Å; H1888-Y1895 AromaticContact CE1-CE1 3.84Å; I1891-Y1895 HydrophobicContact CB-CD2 3.79Å; I1891-Y1895 HydrophobicContact CB-CE1 4.46Å; I1891-Y1895 HydrophobicContact CB-CE2 3.71Å; I1891-Y1895 HydrophobicContact CB-CG 4.24Å; I1891-Y1895 HydrophobicContact CD1-CE1 4Å; I1891-Y1895 HydrophobicContact CD1-CE2 4.29Å; I1891-Y1895 HydrophobicContact CG2-CD2 3.82Å; I1891-Y1895 HydrophobicContact CG2-CE2 3.37Å; Y1895-E2128 HydrophobicContact CD1-CB 3.88Å; Y1895-E2128 HydrophobicContact CD1-CG 4.32Å; Y1895-E2128 HydrophobicContact CE1-CB 3.96Å; Y1895-E2128 HydrophobicContact CG-CB 4.25Å; Y1895-K2260 VanDerWaalsContact CZ-NZ 3.26Å; Y1895-K2260 PolarHBondContact OH-NZ 2.81Å | ||
| 1896 | F | 90.1 | Very high | 74 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.8 | -175.4 | -58.6 | -74 | 0 | 0 | 0 | 113.1 | I1661 I1831 F1839 T1843 I1845 H1881 T1882 F2122 W2126 E2128 | I1661-F1896 HydrophobicContact CD1-CE1 3.51Å; I1661-F1896 HydrophobicContact CD1-CZ 3.48Å; I1661-F1896 VanDerWaalsContact CD1-CZ 3.48Å; I1831-F1896 HydrophobicContact CD1-CD1 3.76Å; I1831-F1896 HydrophobicContact CD1-CE1 3.76Å; F1839-F1896 HydrophobicContact CE1-CD1 4.37Å; F1839-F1896 HydrophobicContact CE1-CG 4.3Å; F1839-F1896 HydrophobicContact CZ-CD1 4.39Å; F1839-F1896 HydrophobicContact CZ-CE1 4.38Å; T1843-F1896 HydrophobicContact CG2-CB 4.35Å; I1845-F1896 HydrophobicContact CD1-CE1 4.06Å; I1845-F1896 HydrophobicContact CG1-CD1 4.1Å; I1845-F1896 HydrophobicContact CG1-CE1 3.93Å; H1881-F1896 PolarHBondContact CD2-O 2.72Å; H1881-F1896 VanDerWaalsContact CD2-O 3.25Å; T1882-F1896 PolarHBondContact N-O 3.42Å; T1882-F1896 VanDerWaalsContact N-O 3.08Å; T1882-F1896 VanDerWaalsContact OG1-C 3.3Å; T1882-F1896 PolarHBondContact OG1-O 3.37Å; F1896-F2122 HydrophobicContact CB-CZ 4.14Å; F1896-F2122 HydrophobicContact CD2-CE1 4.3Å; F1896-F2122 HydrophobicContact CD2-CZ 4.06Å; F1896-F2122 HydrophobicContact CG-CZ 4.41Å; F1896-W2126 HydrophobicContact CE2-CB 4.12Å; F1896-E2128 HydrophobicContact CD2-CG 4.02Å; F1896-E2128 WeakPolarHBondContact CD2-OE1 3.48Å; F1896-E2128 HydrophobicContact CE2-CG 4.11Å; F1896-E2128 PolarHBondContact N-OE1 2.94Å |
| 1897 | Y | 90.4 | Very high | 72.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.5 | 177.5 | -67.1 | -88.8 | 0 | 0 | 0 | 110.6 | T1843 F1844 L1874 I1879 C1880 H1881 T1882 H1888 V1889 F1890 I1891 | T1843-Y1897 CarbonylContact C-O 3.51Å; T1843-Y1897 WeakPolarHBondContact CA-O 3.31Å; F1844-Y1897 VanDerWaalsContact CD1-O 3.24Å; F1844-Y1897 WeakPolarHBondContact CD1-O 3.47Å; F1844-Y1897 PolarHBondContact N-O 2.81Å; F1844-Y1897 PolarHBondContact O-N 2.87Å; L1874-Y1897 HydrophobicContact CD1-CD1 4.05Å; L1874-Y1897 HydrophobicContact CD1-CE1 3.65Å; I1879-Y1897 HydrophobicContact CG2-CD1 4.32Å; I1879-Y1897 HydrophobicContact CG2-CG 4.43Å; C1880-Y1897 CarbonylContact O-C 3.58Å; C1880-Y1897 WeakPolarHBondContact O-CA 3.18Å; H1881-Y1897 HydrophobicContact CB-CD1 4.34Å; H1881-Y1897 HydrophobicContact CB-CE1 4.08Å; H1881-Y1897 AromaticContact CD2-CE1 3.82Å; H1881-Y1897 AromaticContact CD2-CZ 3.74Å; T1882-Y1897 PolarHBondContact OG1-N 3.01Å; H1888-Y1897 PolarHBondContact ND1-OH 3.47Å; V1889-Y1897 PolarHBondContact O-OH 3.49Å; V1889-Y1897 VanDerWaalsContact O-OH 3.06Å; F1890-Y1897 HydrophobicContact CD2-CD1 4.06Å; F1890-Y1897 HydrophobicContact CD2-CD2 4.12Å; F1890-Y1897 AromaticContact CD2-CE1 3.84Å; F1890-Y1897 HydrophobicContact CD2-CE1 3.84Å; F1890-Y1897 AromaticContact CD2-CE2 3.89Å; F1890-Y1897 HydrophobicContact CD2-CE2 3.89Å; F1890-Y1897 HydrophobicContact CD2-CG 4.23Å; F1890-Y1897 AromaticContact CD2-CZ 3.78Å; F1890-Y1897 HydrophobicContact CE2-CD1 4.33Å; F1890-Y1897 AromaticContact CE2-CD2 3.74Å; F1890-Y1897 HydrophobicContact CE2-CD2 3.74Å; F1890-Y1897 HydrophobicContact CE2-CE1 4.42Å; F1890-Y1897 AromaticContact CE2-CE2 3.83Å; F1890-Y1897 HydrophobicContact CE2-CE2 3.83Å; F1890-Y1897 HydrophobicContact CE2-CG 4.03Å; I1891-Y1897 PolarHBondContact N-OH 3.06Å |
| 1898 | T | 87.8 | Confident | 70 | Confident | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.3 | -177.9 | -59.1 | 0 | 0 | 0 | 0 | 109.5 | P1840 T1843 I1879 C1880 T1882 | P1840-T1898 HydrophobicContact CB-CG2 3.76Å; P1840-T1898 HydrophobicContact CG-CG2 4.41Å; T1843-T1898 PolarHBondContact OG1-OG1 2.7Å; I1879-T1898 WeakPolarHBondContact CG2-O 3.44Å; C1880-T1898 PolarHBondContact N-O 3.3Å; C1880-T1898 VanDerWaalsContact N-O 3.1Å; C1880-T1898 PolarHBondContact O-N 3.44Å; T1882-T1898 PolarHBondContact OG1-OG1 2.72Å |
| 1899 | L | 87.7 | Confident | 67.5 | Low | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.7 | -179.5 | -150.8 | 73.6 | 0 | 0 | 0 | 110.7 | A1818 M1821 V1822 Y1842 F1844 I1879 I1901 | A1818-L1899 HydrophobicContact CB-CD2 4.09Å; A1818-L1899 HydrophobicContact CB-CG 4.42Å; M1821-L1899 HydrophobicContact CB-CD2 4.2Å; M1821-L1899 HydrophobicContact SD-CD1 3.95Å; V1822-L1899 HydrophobicContact CG2-CD2 3.7Å; Y1842-L1899 PolarHBondContact O-N 2.77Å; Y1842-L1899 VanDerWaalsContact O-N 3.13Å; F1844-L1899 HydrophobicContact CE1-CB 4.21Å; F1844-L1899 HydrophobicContact CE1-CD1 3.91Å; F1844-L1899 HydrophobicContact CZ-CD1 4.47Å; I1879-L1899 HydrophobicContact CG1-CD1 4.43Å; L1899-I1901 HydrophobicContact CD2-CD1 3.94Å; L1899-I1901 HydrophobicContact CD2-CG1 4.16Å; L1899-I1901 HydrophobicContact CG-CG1 4.37Å; L1899-I1901 PolarHBondContact O-N 3.46Å |
| 1900 | L | 83.3 | Confident | 64.9 | Low | 75 Ų | 75 | 61.6 Ų | 61.6 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | trans | -99.6 | 78 | -174 | -64.7 | 176.5 | 0 | 0 | 0 | 111.2 | G1877 W1878 C1880 | G1877-L1900 WeakPolarHBondContact O-CD1 3.45Å; W1878-L1900 PolarHBondContact O-N 2.9Å; C1880-L1900 HydrophobicContact CB-CD1 4Å | ||
| 1901 | I | 74.4 | Confident | 61.9 | Low | 46 Ų | 46 | 70.5 Ų | 70.5 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 128.2 | 175.5 | -57.7 | -173.9 | 0 | 0 | 0 | 110.5 | V1822 L1899 | V1822-I1901 HydrophobicContact CB-CD1 4.43Å; V1822-I1901 HydrophobicContact CG2-CD1 3.68Å; L1899-I1901 HydrophobicContact CD2-CD1 3.94Å; L1899-I1901 HydrophobicContact CD2-CG1 4.16Å; L1899-I1901 HydrophobicContact CG-CG1 4.37Å; L1899-I1901 PolarHBondContact O-N 3.46Å |
| 1902 | P | 58.8 | Low | 59 | Low | 47 Ų | 47 | 77.6 Ų | 77.6 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 134.6 | 173 | 28.4 | -34.1 | 0 | 0 | 0 | 111.9 | I1904 Y2107 | P1902-I1904 PolarHBondContact O-N 2.91Å; P1902-Y2107 HydrophobicContact CB-CE1 4.04Å |
| 1903 | D | 46.8 | Very low | 55.9 | Low | 95 Ų | 95 | 85.3 Ų | 85.3 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 122.3 | -173.2 | -164.3 | 5.2 | 0 | 0 | 0 | 111.8 | K1905 Q1906 | D1903-K1905 VanDerWaalsContact CG-NZ 3.26Å; D1903-K1905 PolarHBondContact O-N 2.95Å; D1903-K1905 IonicContact OD1-NZ 2.69Å; D1903-K1905 PolarHBondContact OD1-NZ 2.99Å; D1903-K1905 IonicContact OD2-NZ 3.79Å; D1903-K1905 PolarHBondContact OD2-NZ 3.42Å; D1903-Q1906 PolarHBondContact O-N 2.97Å |
| 1904 | I | 38.7 | Very low | 52.8 | Low | 116 Ų | 116 | 91.6 Ų | 91.6 | 60% | 0.595 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -57.3 | -21.5 | -168.1 | -67.5 | 173.7 | 0 | 0 | 0 | 113.1 | P1902 Q1906 L1907 | P1902-I1904 PolarHBondContact O-N 2.91Å; I1904-Q1906 PolarHBondContact O-N 2.75Å; I1904-Q1906 VanDerWaalsContact O-N 3.07Å; I1904-L1907 PolarHBondContact O-N 2.87Å |
| 1905 | K | 33 | Very low | 49.5 | Very low | 160 Ų | 160 | 96.6 Ų | 96.6 | 70% | 0.696 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -63.2 | -12 | -178.2 | -51.1 | -173.7 | -164.3 | 73.6 | 0 | 114.9 | D1903 | D1903-K1905 VanDerWaalsContact CG-NZ 3.26Å; D1903-K1905 PolarHBondContact O-N 2.95Å; D1903-K1905 IonicContact OD1-NZ 2.69Å; D1903-K1905 PolarHBondContact OD1-NZ 2.99Å; D1903-K1905 IonicContact OD2-NZ 3.79Å; D1903-K1905 PolarHBondContact OD2-NZ 3.42Å |
| 1906 | Q | 33.1 | Very low | 46.4 | Very low | 150 Ų | 150 | 105.4 Ų | 105.4 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -88.5 | -12.9 | 178.9 | -63.8 | -168.4 | 6.3 | 0 | 0 | 114.5 | D1903 I1904 | D1903-Q1906 PolarHBondContact O-N 2.97Å; I1904-Q1906 PolarHBondContact O-N 2.75Å; I1904-Q1906 VanDerWaalsContact O-N 3.07Å |
| 1907 | L | 30.3 | Very low | 43.2 | Very low | 141 Ų | 141 | 112.1 Ų | 112.1 | 74% | 0.738 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -95.1 | -7.2 | -172.8 | -84.2 | 159.4 | 0 | 0 | 0 | 115.1 | I1904 | I1904-L1907 PolarHBondContact O-N 2.87Š|
| 1908 | T | 24.7 | Very low | 40.1 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 66% | 0.656 | 63% | 0.633 | S | S | * | * | trans | -104.8 | 65.5 | -174.3 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1909 | N | 24.9 | Very low | 37 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -153.8 | 32.5 | 171.6 | -115.1 | -25.2 | 0 | 0 | 0 | 116.7 | ||
| 1910 | T | 27.3 | Very low | 34.1 | Very low | 137 Ų | 137 | 130 Ų | 130 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | trans | -141.5 | 127.4 | 163.1 | 46.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1911 | Q | 24.3 | Very low | 31.3 | Very low | 188 Ų | 188 | 133.6 Ų | 133.6 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | trans | -91.6 | 140.8 | 172.4 | -72.3 | -171.9 | -26.2 | 0 | 0 | 111.3 | ||||
| 1912 | I | 26.4 | Very low | 28.9 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | -173.7 | 164.1 | 112 | -95.3 | 164.6 | 0 | 0 | 0 | 109.3 | |||||
| 1913 | E | 21.9 | Very low | 27.3 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -80.4 | 167.2 | -163.6 | -62.9 | 168 | 120.3 | 0 | 0 | 115.6 | ||||
| 1914 | T | 23.8 | Very low | 26.1 | Very low | 133 Ų | 133 | 141 Ų | 141 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | -37.6 | 131 | 178.9 | 52.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1915 | S | 22.1 | Very low | 25.4 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | -169.7 | 117.4 | 126.3 | 34 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1916 | F | 23.9 | Very low | 24.9 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 58.4 | 141.7 | 144.5 | -76.1 | -81.3 | 0 | 0 | 0 | 124.8 | ||||
| 1917 | N | 22.9 | Very low | 24.7 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 70.1 | 133.6 | 150.2 | -66.8 | -22.2 | 0 | 0 | 0 | 120.6 | ||||
| 1918 | L | 26.2 | Very low | 24.5 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 95% | 0.948 | 77% | 0.771 | S | S | * | * | trans | -99.1 | 106.3 | 170.1 | -179.6 | 76.7 | 0 | 0 | 0 | 109.3 | ||||
| 1919 | S | 22.4 | Very low | 24.6 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | -156.2 | 129.9 | 166.4 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1920 | T | 26.6 | Very low | 24.6 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | trans | 54.9 | 100.5 | 149.7 | 55.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1921 | L | 24.9 | Very low | 24.5 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | 70.2 | 148.7 | 112.2 | -99.2 | 66.2 | 0 | 0 | 0 | 122.1 | |||||
| 1922 | D | 23 | Very low | 24.9 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 64% | 0.642 | 77% | 0.773 | S | S | * | * | trans | 95.3 | 121.1 | 138.3 | -81.8 | 22.4 | 0 | 0 | 0 | 123.3 | ||||
| 1923 | N | 25.9 | Very low | 24.8 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | trans | 74.8 | 72.4 | 136.3 | -55.4 | -27.1 | 0 | 0 | 0 | 120 | ||||
| 1924 | S | 22.3 | Very low | 25 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 56.7 | 119 | 110.2 | 67.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1925 | E | 22.7 | Very low | 25.3 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | 89.1 | 132.3 | 139 | -71.9 | -167.8 | 177.5 | 0 | 0 | 122.9 | ||||
| 1926 | M | 23.8 | Very low | 25.4 | Very low | 148 Ų | 148 | 134 Ų | 134 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | trans | 74.5 | 89.5 | 146.3 | -70.9 | -73.8 | -84 | 0 | 0 | 121.3 | ||||
| 1927 | N | 28.8 | Very low | 25.4 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | 56.2 | 140.6 | 111.8 | -104.6 | -39.1 | 0 | 0 | 0 | 121.4 | |||||
| 1928 | I | 26 | Very low | 25.6 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | 171 | 117.7 | 119.1 | -89.1 | 153.6 | 0 | 0 | 0 | 111.4 | |||||
| 1929 | H | 26.2 | Very low | 25.5 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 82% | 0.819 | 73% | 0.734 | S | S | * | * | 159.8 | 155.9 | 129.2 | -90.4 | -49.6 | 0 | 0 | 0 | 115.3 | |||||
| 1930 | S | 26 | Very low | 25.7 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 86.7 | 31.4 | 153.2 | -56.9 | 0 | 0 | 0 | 0 | 122.8 | ||
| 1931 | A | 25.2 | Very low | 25.7 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -155.6 | 128.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1933 | A1931-V1933 PolarHBondContact O-N 2.88Š|
| 1932 | P | 31.3 | Very low | 25.8 | Very low | 135 Ų | 135 | 131 Ų | 131 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -87 | 103.8 | -166.9 | 32 | -34.4 | 0 | 0 | 0 | 115.3 | ||||
| 1933 | V | 24.9 | Very low | 25.8 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | trans | -26.9 | 143.2 | 144.7 | 174.5 | 0 | 0 | 0 | 0 | 115 | A1931 | A1931-V1933 PolarHBondContact O-N 2.88Š| ||
| 1934 | T | 27.3 | Very low | 25.9 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | 175.6 | 157.3 | 129.5 | 26.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1935 | P | 29.8 | Very low | 26 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | cis | -135.7 | 124.8 | -21.4 | 31.7 | -11.6 | 0 | 0 | 0 | 115.5 | ||||
| 1936 | I | 23 | Very low | 26.1 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | 62.6 | 146.4 | 116.8 | -64.3 | 163.8 | 0 | 0 | 0 | 121.2 | |||||
| 1937 | Q | 24.2 | Very low | 26.4 | Very low | 155 Ų | 155 | 129 Ų | 129 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | 72.2 | 139.6 | 172.2 | -80.6 | 164.7 | 12.7 | 0 | 0 | 116.3 | N1939 | Q1937-N1939 HydrophobicContact CG-CB 4.2Š| ||
| 1938 | L | 26.7 | Very low | 26.3 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | cis | -109.2 | 137.5 | 3.4 | -58.1 | 162.9 | 0 | 0 | 0 | 108.9 | ||||
| 1939 | N | 24.9 | Very low | 26.5 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | cis | 58.3 | 91.1 | 11.2 | -132.4 | 49.7 | 0 | 0 | 0 | 115.3 | Q1937 | Q1937-N1939 HydrophobicContact CG-CB 4.2Š| ||
| 1940 | I | 27.1 | Very low | 26.5 | Very low | 165 Ų | 165 | 121.8 Ų | 121.8 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -88.4 | 111.1 | 141.7 | -72.8 | -179.8 | 0 | 0 | 0 | 105.9 | ||||
| 1941 | S | 25.5 | Very low | 26.6 | Very low | 70 Ų | 70 | 121 Ų | 121 | 49% | 0.49 | 73% | 0.732 | S | S | . | * | trans | -64.3 | 151.3 | 163.6 | 59.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1942 | N | 28 | Very low | 26.6 | Very low | 144 Ų | 144 | 123.4 Ų | 123.4 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | -141.7 | 138.8 | 55.9 | -64.4 | -30.9 | 0 | 0 | 0 | 113.9 | N1944 | N1942-N1944 PolarHBondContact O-N 2.88Š| |||
| 1943 | T | 23.3 | Very low | 26.6 | Very low | 125 Ų | 125 | 123 Ų | 123 | 77% | 0.767 | 73% | 0.728 | S | S | * | * | trans | -57 | 114.4 | 144.6 | 47.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1944 | N | 27.2 | Very low | 26.5 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | -166.2 | 134.3 | 114.9 | -92.2 | -8.3 | 0 | 0 | 0 | 110.5 | N1942 | N1942-N1944 PolarHBondContact O-N 2.88Š| |||
| 1945 | C | 24.1 | Very low | 26.3 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -93.7 | -163.1 | 177.8 | -51.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1946 | T | 25 | Very low | 26 | Very low | 129 Ų | 129 | 123.6 Ų | 123.6 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | 82.7 | 144.8 | 171.4 | 76.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1947 | S | 30.6 | Very low | 26 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | trans | 52.7 | 106.7 | -161.5 | 40.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1948 | S | 26.6 | Very low | 26 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | cis | 58.9 | 151.8 | 23.7 | 105 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1949 | P | 30.4 | Very low | 25.8 | Very low | 108 Ų | 108 | 111.4 Ų | 111.4 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | cis | -125.2 | -163 | 0.8 | 30.2 | -7.1 | 0 | 0 | 0 | 112.3 | ||||
| 1950 | S | 26.2 | Very low | 25.8 | Very low | 83 Ų | 83 | 112.4 Ų | 112.4 | 58% | 0.58 | 69% | 0.687 | S | S | * | * | trans | 35.4 | 135.3 | 141.6 | 63.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1951 | S | 27.9 | Very low | 25.6 | Very low | 104 Ų | 104 | 107 Ų | 107 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | cis | -135.2 | 137.1 | 28.3 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1952 | N | 24.4 | Very low | 25.5 | Very low | 138 Ų | 138 | 107.4 Ų | 107.4 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | 47.6 | 105.2 | 74.7 | -46 | -10.5 | 0 | 0 | 0 | 108.7 | |||||
| 1953 | T | 30.9 | Very low | 25.1 | Very low | 126 Ų | 126 | 105.7 Ų | 105.7 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | cis | -118.2 | 139.4 | 45.1 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1954 | S | 24.2 | Very low | 25.2 | Very low | 85 Ų | 85 | 104.5 Ų | 104.5 | 59% | 0.594 | 66% | 0.662 | S | S | * | * | 63.7 | 144.2 | 52.8 | 92.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1955 | Q | 22.9 | Very low | 25.2 | Very low | 161 Ų | 161 | 104.3 Ų | 104.3 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | cis | -170.5 | 143 | -0.9 | -130.7 | 165.9 | -20.2 | 0 | 0 | 106.5 | ||||
| 1956 | S | 22.6 | Very low | 25.2 | Very low | 110 Ų | 110 | 108 Ų | 108 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | trans | 56.7 | -166.2 | 173.2 | 49.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1957 | I | 23.9 | Very low | 25.5 | Very low | 80 Ų | 80 | 106.2 Ų | 106.2 | 41% | 0.41 | 65% | 0.654 | S | S | . | * | cis | -116 | -129.3 | 3.1 | -51.6 | 173.2 | 0 | 0 | 0 | 109.7 | E2216 | I1957-E2216 PolarHBondContact N-OE1 2.95Š| ||
| 1958 | C | 22.9 | Very low | 25.3 | Very low | 74 Ų | 74 | 108.2 Ų | 108.2 | 50% | 0.5 | 66% | 0.655 | S | S | . | * | trans | -139.7 | -174.7 | -148.7 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | E2216 I2217 | C1958-E2216 CarbonylContact O-C 3.56Å; C1958-E2216 WeakPolarHBondContact O-CA 3.36Å; C1958-E2216 VanDerWaalsContact O-CB 3.23Å; C1958-E2216 WeakPolarHBondContact O-CB 3.4Å; C1958-E2216 PolarHBondContact O-N 2.87Å; C1958-I2217 WeakPolarHBondContact O-CB 3.38Å; C1958-I2217 VanDerWaalsContact O-CG1 3.31Å; C1958-I2217 WeakPolarHBondContact O-CG1 3.49Å | ||
| 1959 | G | 23.5 | Very low | 25.3 | Very low | 37 Ų | 37 | 107.8 Ų | 107.8 | 38% | 0.381 | 65% | 0.648 | S | S | . | * | trans | 94.6 | 179.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E2216 I2217 | G1959-E2216 CarbonylContact C-O 3.58Å; G1959-E2216 WeakPolarHBondContact CA-O 2.57Å; G1959-I2217 CarbonylContact C-O 3.59Å; G1959-I2217 WeakPolarHBondContact O-CB 2.87Å | ||
| 1960 | L | 25.4 | Very low | 25.1 | Very low | 137 Ų | 137 | 108.6 Ų | 108.6 | 72% | 0.717 | 65% | 0.651 | S | S | * | * | cis | 95.5 | 62.8 | 3.2 | -54.6 | 172.4 | 0 | 0 | 0 | 119.1 | S1962 E2216 I2217 | L1960-S1962 PolarHBondContact O-N 2.9Å; L1960-E2216 CarbonylContact C-O 3.47Å; L1960-E2216 WeakPolarHBondContact CA-O 2.9Å; L1960-E2216 PolarHBondContact N-O 3.49Å; L1960-E2216 VanDerWaalsContact N-O 3.16Å; L1960-E2216 VanDerWaalsContact O-O 3.12Å; L1960-I2217 CarbonylContact C-O 3.07Å; L1960-I2217 VanDerWaalsContact C-O 3.25Å; L1960-I2217 WeakPolarHBondContact CA-O 3.29Å; L1960-I2217 PolarHBondContact N-O 2.85Å | ||
| 1961 | S | 22.4 | Very low | 25.1 | Very low | 51 Ų | 51 | 108.9 Ų | 108.9 | 36% | 0.357 | 65% | 0.653 | S | S | . | * | trans | -62.4 | 107.2 | 173.7 | 55 | 0 | 0 | 0 | 0 | 110.3 | E2216 I2217 Q2218 | S1961-E2216 PolarHBondContact N-O 2.85Å; S1961-I2217 PolarHBondContact N-O 2.87Å; S1961-Q2218 WeakPolarHBondContact OG-CA 3.38Å | ||
| 1962 | S | 22.2 | Very low | 25 | Very low | 78 Ų | 78 | 109.6 Ų | 109.6 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | 64.8 | 68.1 | 67.2 | 87 | 0 | 0 | 0 | 0 | 111.2 | L1960 | L1960-S1962 PolarHBondContact O-N 2.9Š| |||
| 1963 | S | 21.5 | Very low | 25 | Very low | 108 Ų | 108 | 109.8 Ų | 109.8 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -47 | 147.3 | 131 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1964 | S | 24.3 | Very low | 24.7 | Very low | 100 Ų | 100 | 108.9 Ų | 108.9 | 70% | 0.699 | 65% | 0.648 | S | S | * | * | trans | 83.4 | 114.8 | 170.1 | 79.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1965 | I | 26.2 | Very low | 24.7 | Very low | 148 Ų | 148 | 110.4 Ų | 110.4 | 76% | 0.759 | 65% | 0.654 | S | S | * | * | trans | 87.1 | 83.9 | 131.2 | -63.3 | 168.3 | 0 | 0 | 0 | 117.8 | ||||
| 1966 | F | 25.2 | Very low | 24.7 | Very low | 195 Ų | 195 | 108.2 Ų | 108.2 | 86% | 0.855 | 65% | 0.652 | S | S | * | * | 67.5 | 154.3 | 108.5 | -94.2 | -112.8 | 0 | 0 | 0 | 120.8 | |||||
| 1967 | P | 30.7 | Very low | 25 | Very low | 92 Ų | 92 | 109.2 Ų | 109.2 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | trans | -121.3 | -161.7 | -161.1 | 44.4 | -29.9 | 0 | 0 | 0 | 112.7 | ||||
| 1968 | L | 26.6 | Very low | 25 | Very low | 149 Ų | 149 | 109.6 Ų | 109.6 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | trans | 69.3 | 132.7 | 161.1 | -97.9 | 80.7 | 0 | 0 | 0 | 115.3 | ||||
| 1969 | T | 27.4 | Very low | 25.1 | Very low | 100 Ų | 100 | 113.1 Ų | 113.1 | 61% | 0.613 | 68% | 0.676 | S | S | * | * | cis | -174.1 | 177 | -5.2 | -1.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1970 | T | 26.6 | Very low | 25.2 | Very low | 124 Ų | 124 | 115.8 Ų | 115.8 | 76% | 0.761 | 68% | 0.682 | S | S | * | * | trans | 69.4 | 140.3 | 143.6 | 48.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1971 | S | 25.4 | Very low | 25.2 | Very low | 90 Ų | 90 | 112 Ų | 112 | 63% | 0.629 | 66% | 0.664 | S | S | * | * | cis | -169.2 | 174.5 | -2.5 | 41.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1972 | T | 25.5 | Very low | 25.3 | Very low | 118 Ų | 118 | 113.4 Ų | 113.4 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | trans | 85 | 146.1 | 155.4 | 75.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1973 | L | 24.2 | Very low | 25.5 | Very low | 142 Ų | 142 | 114.8 Ų | 114.8 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | cis | -163.1 | 158.1 | -26.9 | -107.7 | 173.1 | 0 | 0 | 0 | 109.2 | ||||
| 1974 | T | 25 | Very low | 25.8 | Very low | 108 Ų | 108 | 120 Ų | 120 | 66% | 0.663 | 69% | 0.687 | S | S | * | * | trans | 71.9 | 148.1 | 144.9 | 41.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1975 | T | 25.1 | Very low | 26 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 72% | 0.718 | 69% | 0.685 | S | S | * | * | trans | 81.1 | 127.6 | 143.8 | 45.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1976 | T | 23.2 | Very low | 26.2 | Very low | 115 Ų | 115 | 117.4 Ų | 117.4 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | cis | -167.6 | 174.7 | -18.7 | 4.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1977 | T | 27.8 | Very low | 26.5 | Very low | 130 Ų | 130 | 113.8 Ų | 113.8 | 80% | 0.798 | 68% | 0.676 | S | S | * | * | trans | 79 | 160.3 | 164.1 | 75.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1978 | S | 23.8 | Very low | 26.5 | Very low | 89 Ų | 89 | 115.7 Ų | 115.7 | 62% | 0.622 | 68% | 0.681 | S | S | * | * | 177.9 | 161.3 | -70 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1979 | L | 25.9 | Very low | 26.3 | Very low | 148 Ų | 148 | 114.1 Ų | 114.1 | 78% | 0.775 | 68% | 0.683 | S | S | * | * | trans | 75.8 | 145.5 | 168 | -38.2 | 175.7 | 0 | 0 | 0 | 115.5 | ||||
| 1980 | N | 25.1 | Very low | 26.2 | Very low | 93 Ų | 93 | 115.8 Ų | 115.8 | 50% | 0.497 | 69% | 0.693 | S | S | . | * | cis | -167.4 | 158.8 | -27.7 | -111.7 | -25.3 | 0 | 0 | 0 | 114.9 | L2002 | N1980-L2002 WeakPolarHBondContact ND2-CD1 3.42Å; N1980-L2002 WeakPolarHBondContact ND2-CD2 3.26Å | ||
| 1981 | T | 25.2 | Very low | 26.1 | Very low | 58 Ų | 58 | 116 Ų | 116 | 36% | 0.356 | 69% | 0.688 | S | S | . | * | trans | 72.1 | 109.3 | 138.9 | 56.8 | 0 | 0 | 0 | 0 | 125.6 | L2002 | T1981-L2002 HydrophobicContact CG2-CD1 3.89Å; T1981-L2002 HydrophobicContact CG2-CD2 3.69Å; T1981-L2002 HydrophobicContact CG2-CG 3.51Å | ||
| 1982 | S | 25.4 | Very low | 26.4 | Very low | 80 Ų | 80 | 116.6 Ų | 116.6 | 56% | 0.559 | 69% | 0.692 | S | S | * | * | 89.9 | 141.6 | 108.1 | 79.7 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1983 | C | 25.1 | Very low | 26.4 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 72% | 0.716 | 69% | 0.693 | S | S | * | * | trans | 82.6 | 99.5 | 147 | -67 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1984 | Y | 27.8 | Very low | 26.4 | Very low | 217 Ų | 217 | 116.6 Ų | 116.6 | 85% | 0.851 | 69% | 0.691 | S | S | * | * | 38.4 | 124.3 | 122.5 | -79.2 | -80.4 | 0 | 0 | 0 | 123 | |||||
| 1985 | S | 29.6 | Very low | 26.6 | Very low | 96 Ų | 96 | 118.7 Ų | 118.7 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | trans | 55.8 | 113.1 | 138.6 | 64.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1986 | S | 29.3 | Very low | 26.7 | Very low | 98 Ų | 98 | 118 Ų | 118 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | 66.3 | 113.8 | 137.7 | 56.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1987 | T | 31.2 | Very low | 27 | Very low | 120 Ų | 120 | 117.1 Ų | 117.1 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | trans | 83.4 | 138.6 | 135.1 | 58.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1988 | N | 32.4 | Very low | 27 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | 79.3 | 80 | 151.7 | -57.1 | -16.6 | 0 | 0 | 0 | 119.6 | ||||
| 1989 | S | 21.6 | Very low | 27.1 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 81% | 0.811 | 70% | 0.699 | S | S | * | * | -117.2 | 150.4 | 117.7 | 70.1 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1990 | T | 24.9 | Very low | 27.1 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | cis | -112.7 | 111.8 | 10.6 | 36.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1991 | I | 24.5 | Very low | 27 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -63.1 | 157.9 | 148.4 | -66.9 | 167.5 | 0 | 0 | 0 | 107.8 | I1993 | I1991-I1993 PolarHBondContact O-N 2.95Š|
| 1992 | S | 31 | Very low | 26.9 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -52.6 | 109.4 | 170.8 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1993 | I | 26.4 | Very low | 26.9 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 62.8 | 95.9 | 156.6 | -47.1 | 177.7 | 0 | 0 | 0 | 116 | I1991 | I1991-I1993 PolarHBondContact O-N 2.95Š|
| 1994 | T | 24.8 | Very low | 26.9 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | 69.8 | 141.6 | 150.7 | 66 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1995 | N | 28.6 | Very low | 26.7 | Very low | 153 Ų | 153 | 121 Ų | 121 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | 65.8 | 150.2 | 153 | -56.4 | -18.2 | 0 | 0 | 0 | 119.1 | ||||
| 1996 | S | 27.2 | Very low | 26.6 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | cis | 178.8 | -177.2 | -23.5 | 75.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1997 | P | 29.8 | Very low | 26.5 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 62% | 0.623 | 70% | 0.702 | S | S | * | * | cis | -140.7 | -173.4 | -31.5 | 40.2 | -21.6 | 0 | 0 | 0 | 115.2 | ||||
| 1998 | Y | 28.5 | Very low | 26.3 | Very low | 214 Ų | 214 | 125 Ų | 125 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | trans | 54.2 | 140 | 163.1 | -65.8 | -84.3 | 0 | 0 | 0 | 119.6 | ||||
| 1999 | M | 24.2 | Very low | 25.8 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | cis | 92.4 | 115.5 | 30.9 | -82.4 | -80.6 | -161.9 | 0 | 0 | 116.2 | ||||
| 2000 | N | 27.4 | Very low | 25.8 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | trans | 155.3 | 129.2 | 148.4 | -83.4 | -11 | 0 | 0 | 0 | 108.4 | ||||
| 2001 | S | 22.5 | Very low | 25.8 | Very low | 49 Ų | 49 | 125.6 Ų | 125.6 | 34% | 0.343 | 70% | 0.697 | S | S | . | * | cis | 99.2 | 120.4 | 6.9 | 94 | 0 | 0 | 0 | 0 | 118 | ||||
| 2002 | L | 22.5 | Very low | 25.9 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 50% | 0.497 | 70% | 0.701 | S | S | . | * | trans | 81.5 | 146.5 | 149.5 | -62.2 | 157.4 | 0 | 0 | 0 | 121.7 | N1980 T1981 | N1980-L2002 WeakPolarHBondContact ND2-CD1 3.42Å; N1980-L2002 WeakPolarHBondContact ND2-CD2 3.26Å; T1981-L2002 HydrophobicContact CG2-CD1 3.89Å; T1981-L2002 HydrophobicContact CG2-CD2 3.69Å; T1981-L2002 HydrophobicContact CG2-CG 3.51Å | ||
| 2003 | N | 25.7 | Very low | 25.5 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | 52.8 | 134.9 | 162.8 | -65 | -10.5 | 0 | 0 | 0 | 118.3 | ||||
| 2004 | A | 24.1 | Very low | 25.6 | Very low | 78 Ų | 78 | 123 Ų | 123 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | cis | 78.8 | 144 | 33 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2005 | N | 25.3 | Very low | 25.6 | Very low | 142 Ų | 142 | 122.7 Ų | 122.7 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | 75.5 | 83 | 167.6 | -56.3 | -7.6 | 0 | 0 | 0 | 118.1 | ||||
| 2006 | S | 27.6 | Very low | 25.6 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | 53.8 | 128.3 | 113 | 67.6 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 2007 | N | 26.4 | Very low | 25.5 | Very low | 145 Ų | 145 | 123.4 Ų | 123.4 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | 156 | 166.6 | 110.4 | -80.3 | -40.5 | 0 | 0 | 0 | 113.4 | |||||
| 2008 | L | 26.6 | Very low | 25.3 | Very low | 166 Ų | 166 | 123.4 Ų | 123.4 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | trans | -66.1 | 121.4 | 143.1 | -84.8 | 153.8 | 0 | 0 | 0 | 107.1 | ||||
| 2009 | L | 21.8 | Very low | 25.2 | Very low | 139 Ų | 139 | 120.2 Ų | 120.2 | 73% | 0.728 | 71% | 0.709 | S | S | * | * | S | Bend | cis | -130.3 | 164.9 | 45.1 | -134.5 | 72.5 | 0 | 0 | 0 | 114.5 | ||
| 2010 | N | 23 | Very low | 25.4 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | trans | 78.2 | 100 | 162.3 | -63.6 | -7.8 | 0 | 0 | 0 | 119.8 | ||||
| 2011 | N | 23.3 | Very low | 25.3 | Very low | 135 Ų | 135 | 119 Ų | 119 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | 88.3 | 128 | 120.7 | -64.8 | -8.7 | 0 | 0 | 0 | 121.5 | |||||
| 2012 | V | 27.1 | Very low | 25.5 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | 63.7 | 105.9 | 137.4 | 179.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 2013 | S | 22.2 | Very low | 26.5 | Very low | 111 Ų | 111 | 123.4 Ų | 123.4 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | cis | 66.1 | 88.6 | 44.6 | -40.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2014 | A | 29 | Very low | 26.7 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | trans | 173.9 | 129 | 134.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2015 | S | 25.5 | Very low | 27.2 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 61.4 | 148.7 | 136.2 | 70.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 2016 | T | 27.2 | Very low | 27.5 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | cis | -160 | 158.7 | 8.2 | -9.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2017 | I | 26.6 | Very low | 27.8 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | trans | 67.6 | 130.4 | 153.4 | -65.7 | 158.6 | 0 | 0 | 0 | 117.2 | ||||
| 2018 | S | 24.2 | Very low | 28 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | cis | -167.8 | 119 | -17.2 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2019 | T | 28 | Very low | 28.1 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -154 | 147.3 | 156.7 | 37.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2020 | T | 26.7 | Very low | 28.5 | Very low | 128 Ų | 128 | 121.7 Ų | 121.7 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -153.3 | 149.4 | -166.5 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2021 | T | 26.1 | Very low | 28.9 | Very low | 129 Ų | 129 | 121.6 Ų | 121.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | cis | -162.6 | 165.2 | 1.3 | 9.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2022 | T | 26.9 | Very low | 29.2 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -95 | -137.5 | 160.6 | 41.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2023 | P | 42.6 | Very low | 29.3 | Very low | 106 Ų | 106 | 120.7 Ų | 120.7 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | -118.7 | -156.9 | -111.9 | 38.5 | -20.6 | 0 | 0 | 0 | 114.3 | |||||
| 2024 | T | 31.4 | Very low | 29.7 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | 74.5 | 166.7 | 171.3 | 61.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 2025 | T | 33.5 | Very low | 29.8 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -131.1 | 156.4 | -149.1 | 43.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2026 | A | 30.7 | Very low | 30 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | 82 | 122.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2027 | T | 34.9 | Very low | 30.3 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 51.6 | 106.3 | 151.9 | 48.6 | 0 | 0 | 0 | 0 | 119.7 | ||
| 2028 | T | 30.9 | Very low | 30.8 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 44.8 | 85.1 | 138.4 | 52.4 | 0 | 0 | 0 | 0 | 118 | ||
| 2029 | T | 27.9 | Very low | 31.3 | Very low | 123 Ų | 123 | 124 Ų | 124 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 61.5 | 124.2 | 139.4 | 54.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2030 | T | 30 | Very low | 31.6 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | trans | 102.8 | 123.1 | 155.9 | 67.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2031 | T | 31.1 | Very low | 31.7 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | trans | 72.9 | 103.7 | 139.9 | 48.3 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 2032 | T | 29.7 | Very low | 32.1 | Very low | 117 Ų | 117 | 120.4 Ų | 120.4 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | 74.7 | 116 | 123.2 | 57.1 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 2033 | T | 29.6 | Very low | 32.3 | Very low | 123 Ų | 123 | 121.2 Ų | 121.2 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | 83.2 | 121.3 | 128.8 | 53.3 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 2034 | T | 30.4 | Very low | 32.1 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | trans | 82.7 | 112.8 | 135.8 | 51.7 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 2035 | N | 31.4 | Very low | 31.9 | Very low | 132 Ų | 132 | 121.5 Ų | 121.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | 80.3 | 122 | 129.9 | -72.3 | 59 | 0 | 0 | 0 | 128.8 | |||||
| 2036 | D | 31.1 | Very low | 31.6 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | trans | 84.1 | 108.7 | 130.1 | -54.1 | -19.6 | 0 | 0 | 0 | 129.6 | ||||
| 2037 | N | 33.3 | Very low | 31.4 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 80 | 108.4 | 131 | -60.2 | -34.8 | 0 | 0 | 0 | 130.3 | ||||
| 2038 | N | 35.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | trans | 77.5 | 136.1 | 132.5 | -61.6 | -14.2 | 0 | 0 | 0 | 130.4 | ||||
| 2039 | N | 35.3 | Very low | 30.8 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | trans | 89.3 | 166.4 | 154.6 | -67.8 | -10.9 | 0 | 0 | 0 | 123.6 | L2062 | N2039-L2062 WeakPolarHBondContact O-CD1 3.29Š| ||
| 2040 | S | 33.8 | Very low | 30.6 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | cis | -176.3 | 167.5 | -31.8 | 62.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2041 | C | 30.8 | Very low | 30.5 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 89% | 0.892 | 75% | 0.751 | S | S | * | * | trans | 109.3 | 177.2 | 160.3 | -141.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 2042 | S | 33.1 | Very low | 30.2 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | -150.5 | 163.5 | -156.2 | 62.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2043 | T | 31.1 | Very low | 30 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 91% | 0.914 | 75% | 0.751 | S | S | * | * | trans | 172.1 | 174.5 | 156.5 | 23.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2044 | P | 37.8 | Very low | 30 | Very low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | -124.7 | -177.3 | -171.1 | 43.8 | -32.3 | 0 | 0 | 0 | 120.1 | ||||
| 2045 | T | 27.4 | Very low | 30.1 | Very low | 144 Ų | 144 | 127 Ų | 127 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | 103.5 | 173.8 | 170 | 70.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2046 | T | 28.6 | Very low | 29.9 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | trans | -128.9 | 135.3 | -145.6 | 51.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2047 | T | 25.1 | Very low | 29.6 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | 61.3 | 137.1 | 153.4 | 52 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2048 | P | 30.2 | Very low | 29.2 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | -148.2 | 162.7 | 57.8 | 41.6 | -22.4 | 0 | 0 | 0 | 119.7 | |||||
| 2049 | S | 23.4 | Very low | 28.6 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | 43.3 | 129.8 | 151.4 | 58.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 2050 | T | 23.3 | Very low | 28.2 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | 62.4 | 94.7 | 152.7 | 45.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 2051 | I | 28.2 | Very low | 27.8 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 92% | 0.923 | 78% | 0.776 | S | S | * | * | -171.1 | 173.7 | 129.3 | -96 | 155.7 | 0 | 0 | 0 | 108.3 | |||||
| 2052 | M | 25.9 | Very low | 27.6 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | trans | -85.2 | 131.4 | -149.7 | -66.3 | 178 | 60.4 | 0 | 0 | 118.8 | ||||
| 2053 | S | 25.8 | Very low | 27.6 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | trans | 52.3 | 125.2 | 137.6 | 65.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 2054 | N | 27.7 | Very low | 27.2 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | 71.3 | 101.3 | 141.8 | -61.4 | 4.7 | 0 | 0 | 0 | 120.6 | ||||
| 2055 | P | 33.7 | Very low | 26.7 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -114.1 | 148.3 | 171.2 | 38.2 | -28.5 | 0 | 0 | 0 | 115.3 | ||||
| 2056 | I | 26.2 | Very low | 27 | Very low | 163 Ų | 163 | 127.1 Ų | 127.1 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -134.7 | 123 | 154.4 | -68.2 | -178.9 | 0 | 0 | 0 | 108.6 | ||||
| 2057 | N | 24.9 | Very low | 26.8 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | 32.4 | 111.6 | 159.3 | -67.4 | 3.1 | 0 | 0 | 0 | 122.8 | ||||
| 2058 | T | 24.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 124 Ų | 124 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | 96.3 | 103.3 | 118.4 | 54.7 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 2059 | I | 24.3 | Very low | 26.9 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | 79 | 152.6 | 125.4 | -49.8 | 160 | 0 | 0 | 0 | 120.4 | |||||
| 2060 | I | 26.4 | Very low | 27.1 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 58% | 0.579 | 72% | 0.718 | S | S | * | * | trans | 109.9 | 104.7 | 161.1 | -52.8 | -178.4 | 0 | 0 | 0 | 114.7 | L2062 | I2060-L2062 HydrophobicContact CG2-CD1 3.64Š| ||
| 2061 | S | 25.9 | Very low | 27.3 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | -156.5 | 151.8 | 172.8 | -35.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2062 | L | 26.3 | Very low | 27.2 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 59% | 0.586 | 70% | 0.703 | S | S | * | * | trans | -145.4 | 169.1 | -149.7 | -101.9 | 78.7 | 0 | 0 | 0 | 111.4 | N2039 I2060 | N2039-L2062 WeakPolarHBondContact O-CD1 3.29Å; I2060-L2062 HydrophobicContact CG2-CD1 3.64Å | ||
| 2063 | P | 32 | Very low | 27.2 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 65% | 0.649 | 70% | 0.701 | S | S | * | * | cis | -150.5 | -172.1 | -22.5 | 43.4 | -24.1 | 0 | 0 | 0 | 116.4 | ||||
| 2064 | S | 23.9 | Very low | 27.1 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | 4.2 | 172.8 | 141.7 | 65.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 2065 | I | 27.4 | Very low | 27 | Very low | 145 Ų | 145 | 122.9 Ų | 122.9 | 74% | 0.744 | 70% | 0.703 | S | S | * | * | cis | -151.3 | 161.8 | 20.8 | -10.8 | 169.6 | 0 | 0 | 0 | 106.4 | ||||
| 2066 | T | 32.9 | Very low | 26.5 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | cis | -156.8 | 148.1 | 34.3 | 46 | 0 | 0 | 0 | 0 | 109 | ||||
| 2067 | S | 25 | Very low | 26.4 | Very low | 91 Ų | 91 | 123 Ų | 123 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | cis | 80 | 155.5 | 29.3 | 82.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2068 | S | 27.4 | Very low | 26.5 | Very low | 96 Ų | 96 | 121 Ų | 121 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | trans | 82.2 | 149.1 | 164.8 | 119.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 2069 | N | 30.1 | Very low | 26.5 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 58% | 0.583 | 71% | 0.711 | S | S | * | * | cis | -175.2 | 177.6 | -1.6 | -100.4 | -0.7 | 0 | 0 | 0 | 108.2 | ||||
| 2070 | Y | 26.8 | Very low | 26.5 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 65% | 0.647 | 71% | 0.711 | S | S | * | * | cis | -164.9 | 166.4 | -17.1 | -105.9 | 171.3 | 0 | 0 | 0 | 107.2 | ||||
| 2071 | T | 27.8 | Very low | 26.5 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | -175.2 | 147.4 | 76.3 | 35.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 2072 | N | 25.5 | Very low | 26.5 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | cis | 78 | 87.1 | 32.8 | -72.6 | -12.6 | 0 | 0 | 0 | 116.7 | ||||
| 2073 | T | 27 | Very low | 26.2 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | trans | -142 | 125.4 | 148.3 | 42 | 0 | 0 | 0 | 0 | 107 | ||||
| 2074 | I | 22.9 | Very low | 25.8 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | 79.4 | 143.5 | 73 | -64.2 | 167.4 | 0 | 0 | 0 | 112.8 | |||||
| 2075 | T | 26.7 | Very low | 25.7 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | 73.3 | 129.4 | -168.7 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2076 | N | 22.3 | Very low | 25.5 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | 78.3 | 123.7 | 50.1 | -75.8 | -12.2 | 0 | 0 | 0 | 113.6 | |||||
| 2077 | T | 24.7 | Very low | 25.2 | Very low | 147 Ų | 147 | 135 Ų | 135 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | trans | 66.1 | 142.4 | -176.3 | 72.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2078 | S | 26 | Very low | 25.1 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | cis | -145.3 | 129.4 | -4.5 | 55.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 2079 | L | 25.2 | Very low | 24.9 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 87% | 0.874 | 73% | 0.73 | S | S | * | * | trans | 57.1 | 115.1 | 137.1 | -69.6 | 167.6 | 0 | 0 | 0 | 121.1 | ||||
| 2080 | L | 25 | Very low | 24.8 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | -45.3 | 150.4 | 134.3 | -103.1 | 71.9 | 0 | 0 | 0 | 110.4 | ||||
| 2081 | P | 26.5 | Very low | 24.8 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | cis | -142.9 | -167.2 | 47.8 | 33.3 | -8.9 | 0 | 0 | 0 | 112.6 | ||||
| 2082 | Y | 24.3 | Very low | 24.5 | Very low | 198 Ų | 198 | 144.8 Ų | 144.8 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | cis | -117.4 | 137.6 | 1.2 | -99.7 | -107.4 | 0 | 0 | 0 | 108.7 | ||||
| 2083 | L | 21.2 | Very low | 24.6 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 56% | 0.555 | 75% | 0.751 | S | S | * | * | 68.7 | 132.2 | 68.5 | -85.3 | 163.5 | 0 | 0 | 0 | 115.3 | |||||
| 2084 | K | 22.5 | Very low | 24.5 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | 10.8 | 121 | 148.2 | -57.2 | 173.5 | -176 | 178.4 | 0 | 117.6 | ||||
| 2085 | Q | 22.7 | Very low | 24.5 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | -161.6 | 133.3 | 116.6 | -108 | 170.2 | -9.5 | 0 | 0 | 108.9 | |||||
| 2086 | N | 23.3 | Very low | 24.5 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | 60.7 | 115.9 | 110.5 | -67.1 | 25.4 | 0 | 0 | 0 | 112.6 | |||||
| 2087 | D | 25.5 | Very low | 24.5 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | S | Bend | cis | 50.8 | 92.1 | 31.9 | -146.6 | 8.8 | 0 | 0 | 0 | 111 | ||
| 2088 | L | 24.1 | Very low | 24.5 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | trans | 85.1 | 79.2 | -154 | -59.8 | 154.9 | 0 | 0 | 0 | 115.5 | ||||
| 2089 | N | 23.3 | Very low | 24.3 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | trans | -154.6 | 51.9 | 130.2 | -117.3 | -4.7 | 0 | 0 | 0 | 115.8 | ||||
| 2090 | Y | 27.8 | Very low | 24.3 | Very low | 245 Ų | 245 | 143.8 Ų | 143.8 | 96% | 0.961 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -107.9 | 40.1 | 147.4 | -99.7 | -76.4 | 0 | 0 | 0 | 109.6 | ||
| 2091 | K | 26.4 | Very low | 24.3 | Very low | 175 Ų | 175 | 144 Ų | 144 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -151.6 | 27.2 | -179 | -136.3 | 170.4 | -173.8 | 174.8 | 0 | 117.1 | ||
| 2092 | L | 21.1 | Very low | 24.1 | Very low | 117 Ų | 117 | 148 Ų | 148 | 61% | 0.613 | 73% | 0.725 | S | S | * | * | trans | -165.3 | 145.4 | 157.8 | -137 | 74.5 | 0 | 0 | 0 | 105.2 | N2094 | L2092-N2094 HydrophobicContact CD1-CB 4.38Š| ||
| 2093 | I | 27.4 | Very low | 24.2 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 74% | 0.744 | 71% | 0.713 | S | S | * | * | cis | -71.5 | 158.6 | -11.7 | -86.3 | 165.2 | 0 | 0 | 0 | 111.1 | V2095 | I2093-V2095 WeakPolarHBondContact CD1-O 3.45Å; I2093-V2095 WeakPolarHBondContact CG1-O 3.31Å; I2093-V2095 WeakPolarHBondContact CG2-O 3.07Å | ||
| 2094 | N | 26.3 | Very low | 24.5 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | cis | 48.7 | 119.9 | -17.4 | -166 | 49.2 | 0 | 0 | 0 | 120.6 | L2092 | L2092-N2094 HydrophobicContact CD1-CB 4.38Š| ||
| 2095 | V | 22.4 | Very low | 25 | Very low | 74 Ų | 74 | 142.1 Ų | 142.1 | 45% | 0.448 | 71% | 0.707 | S | S | . | * | trans | 67.2 | 97.8 | -170.4 | -174 | 0 | 0 | 0 | 0 | 111 | I2093 | I2093-V2095 WeakPolarHBondContact CD1-O 3.45Å; I2093-V2095 WeakPolarHBondContact CG1-O 3.31Å; I2093-V2095 WeakPolarHBondContact CG2-O 3.07Å | ||
| 2096 | L | 25.8 | Very low | 25.4 | Very low | 128 Ų | 128 | 140 Ų | 140 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | cis | -109.4 | 145 | 39 | -42.6 | 169.4 | 0 | 0 | 0 | 111.5 | Q2098 | L2096-Q2098 HydrophobicContact CD2-CG 4.07Š| ||
| 2097 | Q | 24 | Very low | 26 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 77% | 0.771 | 70% | 0.696 | S | S | * | * | cis | 54.5 | 60.7 | -7.1 | -149.9 | 177 | 26.2 | 0 | 0 | 117.7 | ||||
| 2098 | Q | 24.2 | Very low | 26.2 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | -125.4 | 129.3 | 145.3 | -78.7 | -174.9 | -2.4 | 0 | 0 | 109.9 | L2096 | L2096-Q2098 HydrophobicContact CD2-CG 4.07Š| ||
| 2099 | L | 21.8 | Very low | 26.3 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 79% | 0.791 | 67% | 0.666 | S | S | * | * | trans | 45 | 84.8 | 161.9 | -58.6 | 175.1 | 0 | 0 | 0 | 118 | I2101 | L2099-I2101 PolarHBondContact O-N 2.93Å; L2099-I2101 VanDerWaalsContact O-N 3.16Å | ||
| 2100 | P | 25.8 | Very low | 26.5 | Very low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 67% | 0.666 | S | S | * | * | trans | -61.2 | 112.8 | 143.9 | 29.3 | -31.7 | 0 | 0 | 0 | 108.2 | Q2102 | P2100-Q2102 PolarHBondContact O-N 3.18Š| ||
| 2101 | I | 24.5 | Very low | 26.5 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | trans | -57.5 | 123.4 | 169.2 | -62.1 | 174.6 | 0 | 0 | 0 | 107.1 | L2099 F2103 | L2099-I2101 PolarHBondContact O-N 2.93Å; L2099-I2101 VanDerWaalsContact O-N 3.16Å; I2101-F2103 PolarHBondContact O-N 3.3Å | ||
| 2102 | Q | 23.1 | Very low | 26.6 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 84% | 0.836 | 65% | 0.65 | S | S | * | * | trans | -71.7 | 100.8 | 178 | -70.1 | -166.6 | 22.7 | 0 | 0 | 109.3 | P2100 | P2100-Q2102 PolarHBondContact O-N 3.18Š| ||
| 2103 | F | 25.2 | Very low | 27.2 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 53% | 0.531 | 67% | 0.665 | S | S | . | * | trans | -52.6 | 127.7 | 161.7 | -95.5 | -94.5 | 0 | 0 | 0 | 109.2 | I2101 K2105 | I2101-F2103 PolarHBondContact O-N 3.3Å; F2103-K2105 PolarHBondContact O-N 3.17Å | ||
| 2104 | P | 27.9 | Very low | 27.7 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 49% | 0.494 | 65% | 0.648 | S | S | . | * | trans | -58.5 | 121.8 | 171.1 | -20.9 | 32 | 0 | 0 | 0 | 109 | D2106 Y2107 | P2104-D2106 PolarHBondContact O-N 2.89Å; P2104-Y2107 HydrophobicContact CB-CD2 4.1Å; P2104-Y2107 HydrophobicContact CB-CE2 4.39Å; P2104-Y2107 PolarHBondContact O-N 3.38Å | ||
| 2105 | K | 31.8 | Very low | 28.2 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 73% | 0.73 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -67 | -7.7 | -173.9 | -69.2 | -178 | 178.1 | 176.6 | 0 | 113.6 | F2103 | F2103-K2105 PolarHBondContact O-N 3.17Š|
| 2106 | D | 31 | Very low | 29.1 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 67% | 0.674 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -87.5 | -7.1 | -174.7 | -54.5 | -70.2 | 0 | 0 | 0 | 113.8 | P2104 | P2104-D2106 PolarHBondContact O-N 2.89Š|
| 2107 | Y | 36 | Very low | 29.9 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -100.9 | 1.9 | 169.4 | -63.2 | -70.1 | 0 | 0 | 0 | 113.9 | P1902 P2104 | P1902-Y2107 HydrophobicContact CB-CE1 4.04Å; P2104-Y2107 HydrophobicContact CB-CD2 4.1Å; P2104-Y2107 HydrophobicContact CB-CE2 4.39Å; P2104-Y2107 PolarHBondContact O-N 3.38Å |
| 2108 | L | 30 | Very low | 31.1 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -94.6 | 126.6 | 171.2 | -101 | 158.5 | 0 | 0 | 0 | 109.6 | ||
| 2109 | P | 26.5 | Very low | 32.7 | Very low | 54 Ų | 54 | 119.1 Ų | 119.1 | 35% | 0.351 | 60% | 0.603 | S | S | . | * | trans | -55 | 146.4 | 169.7 | 21.1 | -32.2 | 0 | 0 | 0 | 111.6 | E1241 L2111 | E1241-P2109 HydrophobicContact CB-CB 4.01Å; E1241-P2109 HydrophobicContact CG-CB 3.84Å; E1241-P2109 WeakPolarHBondContact OE1-CA 3.39Å; E1241-P2109 WeakPolarHBondContact OE1-CB 3.37Å; P2109-L2111 PolarHBondContact O-N 3.09Å | ||
| 2110 | K | 28.1 | Very low | 34.5 | Very low | 159 Ų | 159 | 113.3 Ų | 113.3 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -89.1 | 19.5 | -153.6 | -88.8 | 179.3 | 177.8 | 167.6 | 0 | 116.7 | E1241 | E1241-K2110 PolarHBondContact OE1-N 3.42Š|
| 2111 | L | 27.6 | Very low | 36.4 | Very low | 137 Ų | 137 | 109.3 Ų | 109.3 | 72% | 0.717 | 55% | 0.549 | S | S | * | . | trans | -146.9 | 156.5 | 160.5 | -68.1 | 101.4 | 0 | 0 | 0 | 107.8 | P2109 | P2109-L2111 PolarHBondContact O-N 3.09Š| ||
| 2112 | L | 28.6 | Very low | 38.8 | Very low | 124 Ų | 124 | 102.2 Ų | 102.2 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | cis | -148.4 | 167.2 | 11 | -163.2 | 72.3 | 0 | 0 | 0 | 108.5 | D2114 | L2112-D2114 PolarHBondContact O-N 2.9Š| ||
| 2113 | N | 33.8 | Very low | 41 | Very low | 177 Ų | 177 | 97.1 Ų | 97.1 | 95% | 0.947 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -68 | 21.7 | -177.8 | -74.9 | -11.4 | 0 | 0 | 0 | 116.6 | ||
| 2114 | D | 38.4 | Very low | 43.3 | Very low | 71 Ų | 71 | 92.4 Ų | 92.4 | 38% | 0.38 | 47% | 0.469 | S | S | . | . | trans | -143.5 | 51.8 | -167.6 | -155.7 | 26.8 | 0 | 0 | 0 | 112.1 | L2112 T2116 K2117 | L2112-D2114 PolarHBondContact O-N 2.9Å; D2114-T2116 PolarHBondContact O-N 3.37Å; D2114-T2116 PolarHBondContact OD1-OG1 2.97Å; D2114-K2117 WeakPolarHBondContact O-CB 3.3Å; D2114-K2117 PolarHBondContact O-N 3.17Å; D2114-K2117 IonicContact OD2-NZ 3.16Å | ||
| 2115 | T | 36.5 | Very low | 45.6 | Very low | 96 Ų | 96 | 90.2 Ų | 90.2 | 59% | 0.589 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -27.1 | -178.1 | 49.7 | 0 | 0 | 0 | 0 | 113.8 | K2117 W2118 T2119 | T2115-K2117 PolarHBondContact O-N 2.9Å; T2115-W2118 PolarHBondContact O-N 3.11Å; T2115-T2119 PolarHBondContact O-OG1 3.39Å |
| 2116 | T | 41.7 | Very low | 48.1 | Very low | 92 Ų | 92 | 83.2 Ų | 83.2 | 56% | 0.564 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -40.5 | -42 | 170.9 | 51.5 | 0 | 0 | 0 | 0 | 113 | D2114 W2118 T2119 | D2114-T2116 PolarHBondContact O-N 3.37Å; D2114-T2116 PolarHBondContact OD1-OG1 2.97Å; T2116-W2118 PolarHBondContact O-N 3.04Å; T2116-T2119 WeakPolarHBondContact O-CB 3.41Å; T2116-T2119 PolarHBondContact O-N 3.05Å; T2116-T2119 PolarHBondContact O-OG1 3.4Å |
| 2117 | K | 42.6 | Very low | 50.8 | Low | 141 Ų | 141 | 77.3 Ų | 77.3 | 61% | 0.613 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -74.2 | -25.5 | -169.2 | -151.4 | 175.7 | -160.3 | 160.6 | 0 | 114.4 | D2114 T2115 | D2114-K2117 WeakPolarHBondContact O-CB 3.3Å; D2114-K2117 PolarHBondContact O-N 3.17Å; D2114-K2117 IonicContact OD2-NZ 3.16Å; T2115-K2117 PolarHBondContact O-N 2.9Å |
| 2118 | W | 48.1 | Very low | 53.3 | Low | 104 Ų | 104 | 70.9 Ų | 70.9 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.8 | -32.6 | 174.3 | -62.5 | 99.2 | 0 | 0 | 0 | 111.3 | G1243 T2115 T2116 S2120 V2121 F2122 | G1243-W2118 WeakPolarHBondContact O-CZ3 3.26Å; T2115-W2118 PolarHBondContact O-N 3.11Å; T2116-W2118 PolarHBondContact O-N 3.04Å; W2118-S2120 PolarHBondContact O-N 2.9Å; W2118-V2121 PolarHBondContact O-N 2.71Å; W2118-F2122 PolarHBondContact O-N 3.27Å; W2118-F2122 VanDerWaalsContact O-N 3.16Å |
| 2119 | T | 58.2 | Low | 56.2 | Low | 21 Ų | 21 | 66 Ų | 66 | 13% | 0.129 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.1 | -49.8 | -177.6 | -19.9 | 0 | 0 | 0 | 0 | 113 | N1885 T2115 T2116 Q2123 | N1885-T2119 HydrophobicContact CB-CG2 3.72Å; T2115-T2119 PolarHBondContact O-OG1 3.39Å; T2116-T2119 WeakPolarHBondContact O-CB 3.41Å; T2116-T2119 PolarHBondContact O-N 3.05Å; T2116-T2119 PolarHBondContact O-OG1 3.4Å; T2119-Q2123 WeakPolarHBondContact O-CG 3.18Å; T2119-Q2123 PolarHBondContact O-N 3.08Å; T2119-Q2123 VanDerWaalsContact O-N 3.12Å |
| 2120 | S | 60.1 | Low | 59 | Low | 30 Ų | 30 | 63.8 Ų | 63.8 | 21% | 0.21 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -77.5 | -29 | -175.7 | 72.2 | 0 | 0 | 0 | 0 | 113 | D1588 W2118 Q2123 N2124 | D1588-S2120 WeakPolarHBondContact OD2-CB 3.26Å; D1588-S2120 PolarHBondContact OD2-OG 2.88Å; W2118-S2120 PolarHBondContact O-N 2.9Å; S2120-Q2123 PolarHBondContact O-N 2.93Å; S2120-N2124 WeakPolarHBondContact O-CB 3.43Å; S2120-N2124 PolarHBondContact O-N 2.89Å; S2120-N2124 PolarHBondContact O-ND2 3.29Å |
| 2121 | V | 65.4 | Low | 61.9 | Low | 31 Ų | 31 | 56.5 Ų | 56.5 | 19% | 0.188 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.7 | -51 | 170.9 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | I1586 W2118 Q2123 N2124 E2125 | I1586-V2121 HydrophobicContact CG2-CG1 4.46Å; I1586-V2121 HydrophobicContact CG2-CG2 4.32Å; W2118-V2121 PolarHBondContact O-N 2.71Å; V2121-Q2123 PolarHBondContact O-N 2.85Å; V2121-N2124 CarbonylContact O-C 3.59Å; V2121-N2124 PolarHBondContact O-N 2.95Å; V2121-E2125 WeakPolarHBondContact O-CG 3.23Å; V2121-E2125 PolarHBondContact O-N 3.01Å; V2121-E2125 VanDerWaalsContact O-N 3.15Å |
| 2122 | F | 74.5 | Confident | 64.1 | Low | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 178 | -174 | -85.9 | 0 | 0 | 0 | 112.3 | Y1246 F1839 H1881 T1882 F1896 W2118 N2124 E2125 W2126 | Y1246-F2122 HydrophobicContact CD1-CD2 4.26Å; Y1246-F2122 AromaticContact CE1-CD2 3.71Å; Y1246-F2122 HydrophobicContact CE1-CD2 3.71Å; Y1246-F2122 AromaticContact CE1-CE2 3.96Å; Y1246-F2122 HydrophobicContact CE1-CE2 3.96Å; Y1246-F2122 HydrophobicContact CE2-CD2 4.12Å; Y1246-F2122 AromaticContact CZ-CD2 3.66Å; Y1246-F2122 AromaticContact CZ-CE2 3.87Å; F1839-F2122 HydrophobicContact CE1-CE2 4.16Å; F1839-F2122 HydrophobicContact CE1-CZ 4.23Å; H1881-F2122 AromaticContact CE1-CE1 3.94Å; T1882-F2122 HydrophobicContact CG2-CE2 3.88Å; T1882-F2122 HydrophobicContact CG2-CZ 4.09Å; F1896-F2122 HydrophobicContact CB-CZ 4.14Å; F1896-F2122 HydrophobicContact CD2-CE1 4.3Å; F1896-F2122 HydrophobicContact CD2-CZ 4.06Å; F1896-F2122 HydrophobicContact CG-CZ 4.41Å; W2118-F2122 PolarHBondContact O-N 3.27Å; W2118-F2122 VanDerWaalsContact O-N 3.16Å; F2122-N2124 VanDerWaalsContact C-N 3.26Å; F2122-N2124 PolarHBondContact O-N 3.3Å; F2122-E2125 PolarHBondContact O-N 3.2Å; F2122-W2126 AromaticContact CD2-CD1 3.65Å; F2122-W2126 AromaticContact CD2-NE1 3.83Å; F2122-W2126 HydrophobicContact CE1-CB 4.48Å; F2122-W2126 AromaticContact CE1-CD1 3.98Å; F2122-W2126 HydrophobicContact CE1-CG 4.43Å; F2122-W2126 AromaticContact CE2-CD1 3.55Å; F2122-W2126 HydrophobicContact CE2-CG 4.4Å; F2122-W2126 AromaticContact CE2-NE1 3.68Å; F2122-W2126 AromaticContact CG-CD1 3.92Å; F2122-W2126 AromaticContact CZ-CD1 3.72Å; F2122-W2126 HydrophobicContact CZ-CG 4.21Å; F2122-W2126 PolarHBondContact O-N 2.76Å |
| 2123 | Q | 69.5 | Low | 65.9 | Low | 72 Ų | 72 | 47.3 Ų | 47.3 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -30 | 178.8 | -72.4 | 177.6 | -25.3 | 0 | 0 | 112.9 | T2119 S2120 V2121 E2125 | T2119-Q2123 WeakPolarHBondContact O-CG 3.18Å; T2119-Q2123 PolarHBondContact O-N 3.08Å; T2119-Q2123 VanDerWaalsContact O-N 3.12Å; S2120-Q2123 PolarHBondContact O-N 2.93Å; V2121-Q2123 PolarHBondContact O-N 2.85Å; Q2123-E2125 VanDerWaalsContact C-N 3.32Å |
| 2124 | N | 73 | Confident | 66.8 | Low | 21 Ų | 21 | 40.6 Ų | 40.6 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -81.6 | -4.9 | 174.6 | -69.9 | -24.3 | 0 | 0 | 0 | 113.1 | I1586 D1588 S2120 V2121 F2122 C2262 L2263 | I1586-N2124 PolarHBondContact O-ND2 3.07Å; D1588-N2124 PolarHBondContact OD1-ND2 2.62Å; S2120-N2124 WeakPolarHBondContact O-CB 3.43Å; S2120-N2124 PolarHBondContact O-N 2.89Å; S2120-N2124 PolarHBondContact O-ND2 3.29Å; V2121-N2124 CarbonylContact O-C 3.59Å; V2121-N2124 PolarHBondContact O-N 2.95Å; F2122-N2124 VanDerWaalsContact C-N 3.26Å; F2122-N2124 PolarHBondContact O-N 3.3Å; N2124-C2262 CarbonylContact O-C 3.44Å; N2124-C2262 WeakPolarHBondContact O-CA 3.46Å; N2124-L2263 WeakPolarHBondContact O-CB 3.06Å; N2124-L2263 PolarHBondContact O-N 3.21Å |
| 2125 | E | 76.4 | Confident | 66.9 | Low | 30 Ų | 30 | 38.8 Ų | 38.8 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -103.5 | -38.4 | 175.9 | -72.4 | -153 | 116.2 | 0 | 0 | 114.4 | R1248 V2121 F2122 Q2123 | R1248-E2125 IonicContact CZ-OE1 3.96Å; R1248-E2125 IonicContact NE-OE1 2.81Å; R1248-E2125 PolarHBondContact NE-OE1 2.94Å; R1248-E2125 IonicContact NH2-OE1 3.27Å; R1248-E2125 PolarHBondContact NH2-OE1 3.09Å; V2121-E2125 WeakPolarHBondContact O-CG 3.23Å; V2121-E2125 PolarHBondContact O-N 3.01Å; V2121-E2125 VanDerWaalsContact O-N 3.15Å; F2122-E2125 PolarHBondContact O-N 3.2Å; Q2123-E2125 VanDerWaalsContact C-N 3.32Å |
| 2126 | W | 83.3 | Confident | 66.7 | Low | 22 Ų | 22 | 39.9 Ų | 39.9 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -107.5 | 147.8 | -168 | -59.8 | 96.7 | 0 | 0 | 0 | 114 | N1659 I1661 A1838 F1839 F1896 F2122 C2262 Y2282 | N1659-W2126 HydrophobicContact CB-CE3 4.05Å; N1659-W2126 HydrophobicContact CB-CZ3 4.18Å; I1661-W2126 HydrophobicContact CD1-CE3 4.38Å; I1661-W2126 HydrophobicContact CD1-CZ3 4.08Å; I1661-W2126 HydrophobicContact CG1-CZ3 4.15Å; A1838-W2126 HydrophobicContact CB-CZ2 4.17Å; F1839-W2126 HydrophobicContact CD2-CH2 4.34Å; F1839-W2126 HydrophobicContact CE1-CZ2 4.33Å; F1839-W2126 HydrophobicContact CE2-CE3 4.31Å; F1839-W2126 AromaticContact CE2-CH2 3.39Å; F1839-W2126 HydrophobicContact CE2-CH2 3.39Å; F1839-W2126 AromaticContact CE2-CZ2 3.85Å; F1839-W2126 HydrophobicContact CE2-CZ2 3.85Å; F1839-W2126 AromaticContact CE2-CZ3 3.66Å; F1839-W2126 HydrophobicContact CE2-CZ3 3.66Å; F1839-W2126 AromaticContact CZ-CD2 3.91Å; F1839-W2126 HydrophobicContact CZ-CD2 3.91Å; F1839-W2126 AromaticContact CZ-CE2 3.82Å; F1839-W2126 AromaticContact CZ-CE3 3.8Å; F1839-W2126 HydrophobicContact CZ-CE3 3.8Å; F1839-W2126 AromaticContact CZ-CH2 3.56Å; F1839-W2126 HydrophobicContact CZ-CH2 3.56Å; F1839-W2126 AromaticContact CZ-CZ2 3.66Å; F1839-W2126 HydrophobicContact CZ-CZ2 3.66Å; F1839-W2126 AromaticContact CZ-CZ3 3.63Å; F1839-W2126 HydrophobicContact CZ-CZ3 3.63Å; F1896-W2126 HydrophobicContact CE2-CB 4.12Å; F2122-W2126 AromaticContact CD2-CD1 3.65Å; F2122-W2126 AromaticContact CD2-NE1 3.83Å; F2122-W2126 HydrophobicContact CE1-CB 4.48Å; F2122-W2126 AromaticContact CE1-CD1 3.98Å; F2122-W2126 HydrophobicContact CE1-CG 4.43Å; F2122-W2126 AromaticContact CE2-CD1 3.55Å; F2122-W2126 HydrophobicContact CE2-CG 4.4Å; F2122-W2126 AromaticContact CE2-NE1 3.68Å; F2122-W2126 AromaticContact CG-CD1 3.92Å; F2122-W2126 AromaticContact CZ-CD1 3.72Å; F2122-W2126 HydrophobicContact CZ-CG 4.21Å; F2122-W2126 PolarHBondContact O-N 2.76Å; W2126-C2262 WeakPolarHBondContact O-CB 3.38Å; W2126-Y2282 PolarHBondContact O-OH 3.23Å |
| 2127 | A | 88.9 | Confident | 66 | Low | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | trans | -87.4 | 111.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1655 I1658 N1659 T1894 Y2282 | I1655-A2127 HydrophobicContact CG2-CB 4.3Å; I1658-A2127 HydrophobicContact CG2-CB 4.36Å; N1659-A2127 PolarHBondContact ND2-O 3.31Å; N1659-A2127 VanDerWaalsContact OD1-CB 3.28Å; N1659-A2127 WeakPolarHBondContact OD1-CB 3.46Å; N1659-A2127 PolarHBondContact OD1-N 3.07Å; T1894-A2127 PolarHBondContact OG1-O 3.44Å; A2127-Y2282 WeakPolarHBondContact CA-OH 3.3Å; A2127-Y2282 HydrophobicContact CB-CE1 4.19Å | ||
| 2128 | E | 88.5 | Confident | 65.2 | Low | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | trans | -126.2 | 106.6 | -176.4 | -65 | -166.1 | 126.9 | 0 | 0 | 111.5 | H1881 Y1895 F1896 K2260 Y2282 | H1881-E2128 IonicContact CE1-OE1 3.82Å; H1881-E2128 PolarHBondContact CE1-OE1 2.79Å; H1881-E2128 IonicContact CE1-OE2 2.72Å; H1881-E2128 IonicContact NE2-OE1 3.7Å; H1881-E2128 PolarHBondContact NE2-OE1 2.8Å; H1881-E2128 VanDerWaalsContact NE2-OE1 3.14Å; H1881-E2128 IonicContact NE2-OE2 3.59Å; Y1895-E2128 HydrophobicContact CD1-CB 3.88Å; Y1895-E2128 HydrophobicContact CD1-CG 4.32Å; Y1895-E2128 HydrophobicContact CE1-CB 3.96Å; Y1895-E2128 HydrophobicContact CG-CB 4.25Å; F1896-E2128 HydrophobicContact CD2-CG 4.02Å; F1896-E2128 WeakPolarHBondContact CD2-OE1 3.48Å; F1896-E2128 HydrophobicContact CE2-CG 4.11Å; F1896-E2128 PolarHBondContact N-OE1 2.94Å; E2128-K2260 WeakPolarHBondContact O-CD 3.25Å; E2128-K2260 WeakPolarHBondContact O-CE 3.26Å; E2128-K2260 PolarHBondContact O-NZ 3.4Å; E2128-Y2282 PolarHBondContact N-OH 3.16Å | ||
| 2129 | I | 89.6 | Confident | 64.2 | Low | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -119.2 | 133.9 | -169.5 | -64 | 150.4 | 0 | 0 | 0 | 109.1 | F1651 I1655 G1893 T1894 Y2282 F2292 | F1651-I2129 HydrophobicContact CE1-CD1 4.24Å; F1651-I2129 HydrophobicContact CE1-CG2 4.03Å; F1651-I2129 HydrophobicContact CZ-CD1 4.18Å; F1651-I2129 HydrophobicContact CZ-CG2 4.46Å; I1655-I2129 HydrophobicContact CD1-CD1 3.42Å; I1655-I2129 VanDerWaalsContact CD1-CD1 3.42Å; I1655-I2129 HydrophobicContact CG1-CD1 3.74Å; I1655-I2129 HydrophobicContact CG2-CD1 4.18Å; G1893-I2129 CarbonylContact C-O 3.29Å; G1893-I2129 WeakPolarHBondContact CA-O 3.4Å; T1894-I2129 PolarHBondContact N-O 2.8Å; T1894-I2129 PolarHBondContact OG1-N 2.93Å; I2129-Y2282 HydrophobicContact CD1-CD2 4.04Å; I2129-Y2282 HydrophobicContact CD1-CE2 4.31Å; I2129-Y2282 HydrophobicContact CG1-CD2 3.54Å; I2129-Y2282 HydrophobicContact CG1-CE2 3.56Å; I2129-F2292 HydrophobicContact CD1-CE1 4.23Å; I2129-F2292 HydrophobicContact CD1-CE2 4.23Å; I2129-F2292 HydrophobicContact CD1-CZ 3.51Å; I2129-F2292 HydrophobicContact CG1-CE2 4.33Å; I2129-F2292 HydrophobicContact CG1-CZ 3.95Å; I2129-F2292 HydrophobicContact CG2-CE2 3.87Å; I2129-F2292 HydrophobicContact CG2-CZ 4.29Å | ||
| 2130 | S | 87.1 | Confident | 62.7 | Low | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 150.6 | 170.9 | 83.7 | 0 | 0 | 0 | 0 | 110.6 | Y1892 A2284 N2285 Y2286 | Y1892-S2130 WeakPolarHBondContact O-CA 3.48Å; S2130-A2284 PolarHBondContact N-O 3.04Å; S2130-N2285 WeakPolarHBondContact OG-CA 3.4Å; S2130-N2285 VanDerWaalsContact OG-CG 3.27Å; S2130-N2285 PolarHBondContact OG-OD1 3.31Å; S2130-Y2286 PolarHBondContact O-N 3.22Å |
| 2131 | I | 87.5 | Confident | 61.1 | Low | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 109.1 | 175.4 | -66.8 | 173.6 | 0 | 0 | 0 | 107.9 | C1648 V1652 I1847 Y1892 Y2286 | C1648-I2131 HydrophobicContact CB-CG2 4.16Å; V1652-I2131 HydrophobicContact CG2-CD1 3.82Å; I1847-I2131 HydrophobicContact CD1-CD1 3.71Å; Y1892-I2131 HydrophobicContact CD1-CB 4.33Å; Y1892-I2131 VanDerWaalsContact CD1-O 3.31Å; Y1892-I2131 WeakPolarHBondContact CD1-O 3.46Å; Y1892-I2131 HydrophobicContact CE1-CB 4.17Å; Y1892-I2131 HydrophobicContact CE1-CG2 4.15Å; Y1892-I2131 PolarHBondContact O-N 3.05Å; I2131-Y2286 HydrophobicContact CG1-CD1 4.45Å |
| 2132 | V | 75 | Confident | 59 | Low | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.055 | 32% | 0.317 | C | S | . | . | trans | -83.7 | 128.3 | -176.2 | -175 | 0 | 0 | 0 | 0 | 109.8 | N2285 Y2286 Y2287 | V2132-N2285 HydrophobicContact CG2-CB 4.16Å; V2132-Y2286 PolarHBondContact N-O 3.27Å; V2132-Y2286 VanDerWaalsContact N-O 3.1Å; V2132-Y2287 HydrophobicContact CB-CD1 4.01Å; V2132-Y2287 HydrophobicContact CB-CD2 4.49Å; V2132-Y2287 HydrophobicContact CB-CE1 3.57Å; V2132-Y2287 HydrophobicContact CB-CE2 4.09Å; V2132-Y2287 HydrophobicContact CB-CG 4.47Å; V2132-Y2287 HydrophobicContact CG1-CD1 4.28Å; V2132-Y2287 HydrophobicContact CG1-CE1 3.5Å; V2132-Y2287 VanDerWaalsContact CG1-CE1 3.5Å; V2132-Y2287 HydrophobicContact CG2-CD2 4.47Å; V2132-Y2287 HydrophobicContact CG2-CE1 4.1Å; V2132-Y2287 HydrophobicContact CG2-CE2 3.79Å | ||
| 2133 | H | 66 | Low | 56.6 | Low | 59 Ų | 59 | 64.7 Ų | 64.7 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | trans | -121.3 | 111.7 | -172 | -152.4 | 104.9 | 0 | 0 | 0 | 110.4 | I1863 G2135 | I1863-H2133 HydrophobicContact CD1-CB 4.29Å; H2133-G2135 PolarHBondContact O-N 2.75Å | ||
| 2134 | Y | 52.7 | Low | 54.4 | Low | 36 Ų | 36 | 66.7 Ų | 66.7 | 14% | 0.141 | 37% | 0.368 | C | S | . | . | trans | -71.2 | 116.4 | 177 | -73.1 | -78.9 | 0 | 0 | 0 | 110.8 | Y2287 K2493 | Y2134-Y2287 AromaticContact CE2-CD1 3.84Å; Y2134-Y2287 HydrophobicContact CE2-CD1 3.84Å; Y2134-Y2287 HydrophobicContact CE2-CE1 4Å; Y2134-Y2287 AromaticContact CZ-CE1 3.95Å; Y2134-Y2287 WeakPolarHBondContact OH-CE1 3.29Å; Y2134-K2493 WeakPolarHBondContact OH-CD 3.33Å | ||
| 2135 | G | 41.3 | Very low | 52 | Low | 34 Ų | 34 | 71 Ų | 71 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | trans | -57.6 | 153.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H2133 N2137 | H2133-G2135 PolarHBondContact O-N 2.75Å; G2135-N2137 PolarHBondContact O-N 3.36Å | ||
| 2136 | S | 31.7 | Very low | 49.5 | Very low | 118 Ų | 118 | 75.5 Ų | 75.5 | 83% | 0.825 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 3.9 | -160 | -42.2 | 0 | 0 | 0 | 0 | 118.6 | ||
| 2137 | N | 25.9 | Very low | 46.6 | Very low | 145 Ų | 145 | 79.6 Ų | 79.6 | 78% | 0.775 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -0 | -159.7 | -64.4 | 5.1 | 0 | 0 | 0 | 115.2 | G2135 C2139 | G2135-N2137 PolarHBondContact O-N 3.36Å; N2137-C2139 PolarHBondContact O-N 2.74Å |
| 2138 | E | 26.6 | Very low | 43.7 | Very low | 114 Ų | 114 | 84.3 Ų | 84.3 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -70.9 | 92.8 | 165 | -85.5 | -159.2 | 138.9 | 0 | 0 | 110 | Q2140 K2493 | E2138-Q2140 PolarHBondContact O-N 2.85Å; E2138-K2493 IonicContact OE1-NZ 3.47Å; E2138-K2493 PolarHBondContact OE1-NZ 2.84Å; E2138-K2493 IonicContact OE2-NZ 3.89Å; E2138-K2493 PolarHBondContact OE2-NZ 3.25Å |
| 2139 | C | 27.7 | Very low | 40.6 | Very low | 109 Ų | 109 | 94 Ų | 94 | 74% | 0.736 | 54% | 0.537 | S | S | * | . | trans | 28.4 | 78.1 | 158.2 | -78.6 | 0 | 0 | 0 | 0 | 117.3 | N2137 I2141 | N2137-C2139 PolarHBondContact O-N 2.74Å; C2139-I2141 HydrophobicContact CB-CG1 4.18Å; C2139-I2141 PolarHBondContact O-N 3.11Å | ||
| 2140 | Q | 25.2 | Very low | 37.4 | Very low | 183 Ų | 183 | 100.3 Ų | 100.3 | 86% | 0.855 | 57% | 0.566 | S | S | * | * | trans | -64.7 | 84.2 | 145.1 | -74.3 | -165.8 | 13.2 | 0 | 0 | 108.9 | E2138 K2142 | E2138-Q2140 PolarHBondContact O-N 2.85Å; Q2140-K2142 PolarHBondContact O-N 3.07Å | ||
| 2141 | I | 27.3 | Very low | 34.5 | Very low | 107 Ų | 107 | 108.4 Ų | 108.4 | 55% | 0.549 | 60% | 0.603 | S | S | . | * | trans | -68.7 | 82.5 | 160.2 | -57 | -177.1 | 0 | 0 | 0 | 106.4 | C2139 P2143 T2651 | C2139-I2141 HydrophobicContact CB-CG1 4.18Å; C2139-I2141 PolarHBondContact O-N 3.11Å; I2141-P2143 WeakPolarHBondContact O-CD 3.39Å; I2141-P2143 VanDerWaalsContact O-N 3.08Å; I2141-T2651 HydrophobicContact CD1-CG2 3.81Å | ||
| 2142 | K | 21.9 | Very low | 31.5 | Very low | 180 Ų | 180 | 113.7 Ų | 113.7 | 78% | 0.783 | 63% | 0.627 | S | S | * | * | trans | -54.4 | 112.4 | 169.4 | -164.1 | 171.9 | -170.6 | 171.7 | 0 | 105.8 | Q2140 | Q2140-K2142 PolarHBondContact O-N 3.07Š| ||
| 2143 | P | 23.1 | Very low | 29.3 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 66% | 0.662 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 137.8 | -175.1 | 23.5 | -33.1 | 0 | 0 | 0 | 108.3 | I2141 | I2141-P2143 WeakPolarHBondContact O-CD 3.39Å; I2141-P2143 VanDerWaalsContact O-N 3.08Å |
| 2144 | P | 23.4 | Very low | 27.5 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 74% | 0.74 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 132.5 | -178.2 | 23.4 | -33.3 | 0 | 0 | 0 | 108.6 | ||
| 2145 | P | 23.4 | Very low | 26.3 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 136.5 | -176.2 | 24.9 | -33.8 | 0 | 0 | 0 | 109 | S2147 | P2145-S2147 VanDerWaalsContact C-N 3.29Å; P2145-S2147 PolarHBondContact O-N 3.37Å |
| 2146 | P | 23.1 | Very low | 25.5 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | trans | -68.2 | 90.1 | 178.1 | 27.6 | -33.8 | 0 | 0 | 0 | 109.5 | P2148 | P2146-P2148 VanDerWaalsContact O-CD 3.29Å; P2146-P2148 WeakPolarHBondContact O-CD 3.47Å | ||
| 2147 | S | 23.2 | Very low | 25.4 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 72% | 0.718 | S | S | * | * | trans | -59.8 | 114 | 177.8 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | P2145 | P2145-S2147 VanDerWaalsContact C-N 3.29Å; P2145-S2147 PolarHBondContact O-N 3.37Å | ||
| 2148 | P | 26.4 | Very low | 25.4 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 66% | 0.656 | 72% | 0.716 | S | S | * | * | trans | -77.5 | 150.3 | -168.3 | -13.7 | 28.8 | 0 | 0 | 0 | 112.6 | P2146 Q2150 | P2146-P2148 VanDerWaalsContact O-CD 3.29Å; P2146-P2148 WeakPolarHBondContact O-CD 3.47Å; P2148-Q2150 PolarHBondContact O-N 2.99Å; P2148-Q2150 VanDerWaalsContact O-N 3.11Å | ||
| 2149 | Q | 23.9 | Very low | 25.6 | Very low | 206 Ų | 206 | 138.4 Ų | 138.4 | 96% | 0.963 | 73% | 0.727 | S | S | * | * | trans | -66.9 | 106.1 | 155.9 | -74.2 | -177.3 | -26.1 | 0 | 0 | 108.7 | ||||
| 2150 | Q | 23.3 | Very low | 25.4 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | trans | -101.8 | 122.8 | 167.2 | -72.8 | -164 | 10.8 | 0 | 0 | 110.9 | P2148 | P2148-Q2150 PolarHBondContact O-N 2.99Å; P2148-Q2150 VanDerWaalsContact O-N 3.11Å | ||
| 2151 | Q | 25.3 | Very low | 25.3 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | -149.8 | 114.2 | 112.1 | -99 | 159.3 | 7.3 | 0 | 0 | 105.7 | |||||
| 2152 | Q | 25.7 | Very low | 25.1 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 54% | 0.542 | 73% | 0.725 | S | S | . | * | 64.2 | 137 | 73.2 | -62.7 | 177.5 | 15.4 | 0 | 0 | 110.8 | |||||
| 2153 | Q | 28.3 | Very low | 25.3 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | cis | -131.9 | 131.6 | 24.8 | -73.7 | -176.8 | -14.7 | 0 | 0 | 110.7 | ||||
| 2154 | I | 27.6 | Very low | 25.3 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 58% | 0.579 | 73% | 0.726 | S | S | * | * | 78.9 | 125.6 | 75.1 | -66.7 | 167.7 | 0 | 0 | 0 | 113.4 | |||||
| 2155 | L | 28.4 | Very low | 25.4 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | 175.9 | 134.9 | 129.9 | -108.6 | 104.5 | 0 | 0 | 0 | 108.2 | |||||
| 2156 | D | 25 | Very low | 25.4 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | cis | -159.4 | 164.2 | -12.9 | -131.5 | 22.2 | 0 | 0 | 0 | 111.9 | ||||
| 2157 | P | 29 | Very low | 25.4 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | trans | -105.1 | 171.7 | -170 | 40.8 | -35.8 | 0 | 0 | 0 | 114.7 | ||||
| 2158 | K | 25.4 | Very low | 25.6 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 74% | 0.735 | 73% | 0.734 | S | S | * | * | trans | 176.7 | 135.1 | 155.7 | -103.2 | 160.6 | 179.8 | 168.3 | 0 | 109.1 | ||||
| 2159 | Y | 31.3 | Very low | 25.5 | Very low | 197 Ų | 197 | 142.4 Ų | 142.4 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | S | Bend | cis | -135.1 | 167.1 | -10.2 | -58 | -101.6 | 0 | 0 | 0 | 106.4 | ||
| 2160 | M | 24.2 | Very low | 25.5 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | cis | -134.2 | 166.7 | 0.8 | -89.2 | -154.8 | 143.6 | 0 | 0 | 107.1 | ||||
| 2161 | N | 23 | Very low | 25.6 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | cis | 41.6 | 114.5 | -4.7 | -70.9 | 26.8 | 0 | 0 | 0 | 119.1 | ||||
| 2162 | S | 22.5 | Very low | 25.5 | Very low | 76 Ų | 76 | 139.4 Ų | 139.4 | 53% | 0.531 | 73% | 0.731 | S | S | . | * | cis | -175.3 | 149.3 | 5.3 | 44.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 2163 | S | 25.1 | Very low | 25.4 | Very low | 116 Ų | 116 | 141 Ų | 141 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -150.4 | 126.1 | 149.1 | -63.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 2164 | I | 24.2 | Very low | 25.2 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | cis | 70.2 | 121.7 | 39.4 | -50.2 | 167.4 | 0 | 0 | 0 | 108.6 | ||||
| 2165 | D | 24.3 | Very low | 24.9 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -117 | 153.9 | 20 | -83.2 | -69.1 | 0 | 0 | 0 | 116.4 | ||||
| 2166 | N | 23.4 | Very low | 24.7 | Very low | 162 Ų | 162 | 138 Ų | 138 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | -168.1 | 92.8 | 120.9 | -103.6 | -18 | 0 | 0 | 0 | 110 | |||||
| 2167 | N | 23.7 | Very low | 24.6 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | -106.8 | 122.7 | 158.2 | -80.4 | -16.2 | 0 | 0 | 0 | 107.8 | ||||
| 2168 | D | 27.4 | Very low | 24.3 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 86% | 0.861 | 76% | 0.76 | S | S | * | * | -166.4 | 170.9 | 100.1 | -101.1 | -22 | 0 | 0 | 0 | 110.6 | |||||
| 2169 | S | 24.7 | Very low | 24.3 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | -154.4 | 173.4 | -168.7 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2170 | L | 23.7 | Very low | 24 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 91.5 | 122.9 | 175.7 | -63 | 153 | 0 | 0 | 0 | 117.8 | ||||
| 2171 | N | 25.9 | Very low | 23.9 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | 80.7 | 114 | 136.9 | -65.2 | 1.2 | 0 | 0 | 0 | 122.6 | ||||
| 2172 | E | 22.3 | Very low | 23.9 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | trans | 85.9 | 138.9 | 136.4 | -69.7 | -161.6 | 135 | 0 | 0 | 122.3 | ||||
| 2173 | M | 24.4 | Very low | 23.9 | Very low | 149 Ų | 149 | 130 Ų | 130 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | 70 | 88.8 | 162.6 | -64.2 | -163.5 | -170.7 | 0 | 0 | 120.7 | ||||
| 2174 | N | 24.2 | Very low | 23.7 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | 101.8 | 137.7 | 118.6 | -62.2 | -22.9 | 0 | 0 | 0 | 120.6 | |||||
| 2175 | S | 21.9 | Very low | 23.6 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | 70.2 | 112.5 | 155.2 | 28.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 2176 | T | 22.6 | Very low | 23.6 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | trans | 61 | 88.3 | 136.5 | 57.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2177 | S | 23.7 | Very low | 23.7 | Very low | 106 Ų | 106 | 124.7 Ų | 124.7 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | -158.3 | 122.8 | 129.5 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 2178 | N | 22.8 | Very low | 23.8 | Very low | 173 Ų | 173 | 125 Ų | 125 | 93% | 0.925 | 74% | 0.741 | S | S | * | * | trans | -77.9 | 138.4 | 176.8 | -75.4 | -12.8 | 0 | 0 | 0 | 110.9 | ||||
| 2179 | I | 25.7 | Very low | 23.9 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -108.9 | 150.1 | 172.2 | -72.5 | 177.5 | 0 | 0 | 0 | 109.8 | ||||
| 2180 | S | 23.7 | Very low | 24.1 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -56.3 | 149.4 | -175.5 | 55.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 2181 | S | 23.2 | Very low | 24.5 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | -157.6 | 136.6 | 124.4 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 2182 | S | 22.6 | Very low | 24.7 | Very low | 85 Ų | 85 | 116.8 Ų | 116.8 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | trans | 53.5 | 122.3 | 146.5 | 59.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2183 | S | 21.9 | Very low | 25.3 | Very low | 74 Ų | 74 | 114.1 Ų | 114.1 | 52% | 0.517 | 70% | 0.703 | S | S | . | * | 86.5 | -165.5 | 121.9 | 82.3 | 0 | 0 | 0 | 0 | 121.5 | S2658 I2659 | S2183-S2658 WeakPolarHBondContact CB-O 3.47Å; S2183-I2659 WeakPolarHBondContact CB-O 3.49Å; S2183-I2659 PolarHBondContact OG-O 3.35Å; S2183-I2659 PolarHBondContact OG-OXT 3.04Å | |||
| 2184 | L | 21.8 | Very low | 25.7 | Very low | 113 Ų | 113 | 112.4 Ų | 112.4 | 59% | 0.592 | 70% | 0.701 | S | S | * | * | -104.4 | 167.5 | -113.2 | -148.9 | 83.3 | 0 | 0 | 0 | 117.9 | I2659 | L2184-I2659 HydrophobicContact CB-CB 4.49Å; L2184-I2659 HydrophobicContact CB-CG2 3.91Å; L2184-I2659 VanDerWaalsContact CB-O 3.29Å; L2184-I2659 WeakPolarHBondContact CB-O 3.18Å; L2184-I2659 HydrophobicContact CD2-CB 4.43Å; L2184-I2659 HydrophobicContact CD2-CG1 4.21Å; L2184-I2659 HydrophobicContact CD2-CG2 3.77Å; L2184-I2659 HydrophobicContact CG-CG2 4.42Å; L2184-I2659 PolarHBondContact N-O 3.13Å | |||
| 2185 | S | 22 | Very low | 26 | Very low | 88 Ų | 88 | 111.5 Ų | 111.5 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | trans | 66.5 | 102.6 | 151.8 | 53.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2186 | T | 24.3 | Very low | 26.4 | Very low | 127 Ų | 127 | 112.2 Ų | 112.2 | 78% | 0.779 | 70% | 0.701 | S | S | * | * | trans | 24.6 | 102.4 | 132.8 | 50.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2187 | S | 25.6 | Very low | 26.6 | Very low | 100 Ų | 100 | 111.2 Ų | 111.2 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | 52.8 | 119.2 | 128 | 64.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 2188 | T | 24.3 | Very low | 26.7 | Very low | 147 Ų | 147 | 112.3 Ų | 112.3 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | trans | -130 | 115.3 | 143.5 | 38.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2189 | T | 31 | Very low | 26.7 | Very low | 123 Ų | 123 | 109.6 Ų | 109.6 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | trans | -128.6 | 98.2 | 176.6 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2190 | S | 28.7 | Very low | 26.7 | Very low | 102 Ų | 102 | 108.9 Ų | 108.9 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | -169.9 | 122.3 | 108.9 | 36.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 2191 | T | 31.3 | Very low | 26.7 | Very low | 91 Ų | 91 | 111.5 Ų | 111.5 | 56% | 0.558 | 69% | 0.694 | S | S | * | * | 61 | 151.5 | 57.4 | 74.4 | 0 | 0 | 0 | 0 | 112.1 | Y2435 | T2191-Y2435 VanDerWaalsContact C-CD2 3.5Å; T2191-Y2435 HydrophobicContact CG2-CE1 3.98Å | |||
| 2192 | T | 31.2 | Very low | 27 | Very low | 56 Ų | 56 | 111.6 Ų | 111.6 | 34% | 0.344 | 69% | 0.692 | S | S | . | * | cis | -169.6 | 146.2 | -20.7 | 55.7 | 0 | 0 | 0 | 0 | 128.4 | Y2435 L2437 | T2192-Y2435 WeakPolarHBondContact CA-OH 3.19Å; T2192-Y2435 HydrophobicContact CG2-CD1 3.15Å; T2192-Y2435 HydrophobicContact CG2-CE1 2.96Å; T2192-Y2435 HydrophobicContact CG2-CG 4.23Å; T2192-Y2435 PolarHBondContact N-OH 3.32Å; T2192-Y2435 WeakPolarHBondContact O-CD2 3.49Å; T2192-Y2435 WeakPolarHBondContact O-CE2 3.22Å; T2192-Y2435 WeakPolarHBondContact OG1-CE1 3.49Å; T2192-Y2435 PolarHBondContact OG1-OH 3.39Å; T2192-L2437 HydrophobicContact CG2-CD2 4.5Å | ||
| 2193 | T | 34.3 | Very low | 27.1 | Very low | 115 Ų | 115 | 113.5 Ų | 113.5 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | 82.1 | 170.8 | 144.6 | 29.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2194 | T | 33 | Very low | 27.3 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 69% | 0.693 | 71% | 0.711 | S | S | * | * | cis | -131.6 | -173.8 | 25 | 63 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2195 | T | 31.3 | Very low | 27.4 | Very low | 118 Ų | 118 | 116.2 Ų | 116.2 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | cis | -153.7 | 154.4 | 11.7 | 4.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 2196 | T | 29.9 | Very low | 27.6 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | cis | -165.8 | -174.6 | -18.8 | 11.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 2197 | T | 26.5 | Very low | 27.5 | Very low | 116 Ų | 116 | 118 Ų | 118 | 71% | 0.712 | 72% | 0.716 | S | S | * | * | cis | -140.5 | -143.9 | 14.3 | -21.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2198 | T | 25.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | cis | -153.2 | 174.7 | 10.8 | -25.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2199 | T | 22.9 | Very low | 27.6 | Very low | 116 Ų | 116 | 118 Ų | 118 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | trans | -101.7 | 141 | -171.3 | 49.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2200 | T | 25.1 | Very low | 27.5 | Very low | 141 Ų | 141 | 117.9 Ų | 117.9 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | 179 | 167.7 | 128.6 | 24.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 2201 | I | 23.8 | Very low | 27.4 | Very low | 163 Ų | 163 | 118.5 Ų | 118.5 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -162.8 | 167.3 | -171.1 | 4.6 | 169.6 | 0 | 0 | 0 | 107.2 | ||||
| 2202 | P | 31.2 | Very low | 27 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | cis | -140.9 | 173.8 | 6.2 | 43.2 | -23.8 | 0 | 0 | 0 | 118.9 | ||||
| 2203 | V | 24.7 | Very low | 26.6 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | 20.1 | 129.5 | 141.2 | -171.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 2204 | T | 24.3 | Very low | 26.1 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | 175 | 144.8 | 121.7 | 25.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 2205 | T | 24.5 | Very low | 25.7 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | 60.2 | 145.8 | 152.5 | 51.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2206 | N | 25.5 | Very low | 25.3 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 65% | 0.652 | 73% | 0.727 | S | S | * | * | cis | -159.6 | 168.8 | 17.6 | -127.6 | 31.1 | 0 | 0 | 0 | 114.6 | ||||
| 2207 | D | 24.1 | Very low | 25.1 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | 53.1 | 114.8 | 150.2 | -51.8 | -31.7 | 0 | 0 | 0 | 125.3 | ||||
| 2208 | S | 27.4 | Very low | 24.8 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | 168.6 | 167.1 | 110.6 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 2209 | C | 23.8 | Very low | 25 | Very low | 124 Ų | 124 | 120.7 Ų | 120.7 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | trans | -144.7 | -166.8 | -160.6 | -72 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2210 | P | 29.3 | Very low | 25.1 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | -138.1 | 167.4 | -55.5 | 37.8 | -21.9 | 0 | 0 | 0 | 116.2 | |||||
| 2211 | S | 25.7 | Very low | 25.2 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | 167.4 | 111.6 | 139 | 57.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 2212 | L | 22.4 | Very low | 25.5 | Very low | 171 Ų | 171 | 116.5 Ų | 116.5 | 90% | 0.895 | 66% | 0.664 | S | S | * | * | 65.1 | 137.3 | 66.6 | -115.8 | 69.5 | 0 | 0 | 0 | 115 | |||||
| 2213 | S | 23.2 | Very low | 25.5 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 63% | 0.629 | 66% | 0.66 | S | S | * | * | cis | -160.1 | 143 | 20.7 | 55.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2214 | T | 24.6 | Very low | 25.8 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 72% | 0.718 | 65% | 0.652 | S | S | * | * | trans | 57.8 | 142.6 | 144.6 | 52.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2215 | S | 23.5 | Very low | 26.2 | Very low | 63 Ų | 63 | 114.5 Ų | 114.5 | 44% | 0.441 | 63% | 0.634 | S | S | . | * | cis | -178.9 | 165.4 | 12 | 41.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2216 | E | 23.5 | Very low | 26.7 | Very low | 77 Ų | 77 | 111 Ų | 111 | 36% | 0.36 | 61% | 0.611 | S | S | . | * | cis | 173.9 | -170.4 | -8.4 | -177 | -177.9 | 100.8 | 0 | 0 | 108.5 | I1957 C1958 G1959 L1960 S1961 | I1957-E2216 PolarHBondContact N-OE1 2.95Å; C1958-E2216 CarbonylContact O-C 3.56Å; C1958-E2216 WeakPolarHBondContact O-CA 3.36Å; C1958-E2216 VanDerWaalsContact O-CB 3.23Å; C1958-E2216 WeakPolarHBondContact O-CB 3.4Å; C1958-E2216 PolarHBondContact O-N 2.87Å; G1959-E2216 CarbonylContact C-O 3.58Å; G1959-E2216 WeakPolarHBondContact CA-O 2.57Å; L1960-E2216 CarbonylContact C-O 3.47Å; L1960-E2216 WeakPolarHBondContact CA-O 2.9Å; L1960-E2216 PolarHBondContact N-O 3.49Å; L1960-E2216 VanDerWaalsContact N-O 3.16Å; L1960-E2216 VanDerWaalsContact O-O 3.12Å; S1961-E2216 PolarHBondContact N-O 2.85Å | ||
| 2217 | I | 25.1 | Very low | 27.3 | Very low | 87 Ų | 87 | 107.7 Ų | 107.7 | 45% | 0.446 | 60% | 0.598 | S | S | . | * | trans | 61.1 | 128.7 | 165 | -54.3 | -179.8 | 0 | 0 | 0 | 121.8 | C1958 G1959 L1960 S1961 | C1958-I2217 WeakPolarHBondContact O-CB 3.38Å; C1958-I2217 VanDerWaalsContact O-CG1 3.31Å; C1958-I2217 WeakPolarHBondContact O-CG1 3.49Å; G1959-I2217 CarbonylContact C-O 3.59Å; G1959-I2217 WeakPolarHBondContact O-CB 2.87Å; L1960-I2217 CarbonylContact C-O 3.07Å; L1960-I2217 VanDerWaalsContact C-O 3.25Å; L1960-I2217 WeakPolarHBondContact CA-O 3.29Å; L1960-I2217 PolarHBondContact N-O 2.85Å; S1961-I2217 PolarHBondContact N-O 2.87Å | ||
| 2218 | Q | 22.1 | Very low | 27.8 | Very low | 127 Ų | 127 | 103.5 Ų | 103.5 | 59% | 0.593 | 57% | 0.574 | S | S | * | * | trans | -90.2 | 156.9 | -166.9 | -70.2 | 158.5 | -81.1 | 0 | 0 | 121.1 | S1961 E2220 | S1961-Q2218 WeakPolarHBondContact OG-CA 3.38Å; Q2218-E2220 VanDerWaalsContact NE2-CD 3.35Å; Q2218-E2220 PolarHBondContact NE2-OE1 3.38Å | ||
| 2219 | Y | 27.8 | Very low | 28.1 | Very low | 170 Ų | 170 | 99.5 Ų | 99.5 | 67% | 0.667 | 54% | 0.541 | S | S | * | . | trans | -127 | 83.7 | 164 | -96.5 | -72 | 0 | 0 | 0 | 111.8 | V2222 | Y2219-V2222 HydrophobicContact CD1-CG2 3.65Å; Y2219-V2222 HydrophobicContact CE1-CG2 4.1Å | ||
| 2220 | E | 24.8 | Very low | 28.9 | Very low | 139 Ų | 139 | 98.4 Ų | 98.4 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | trans | -93.1 | -32.2 | 178.4 | -71.8 | -177.7 | 162.8 | 0 | 0 | 113.8 | Q2218 V2222 N2223 | Q2218-E2220 VanDerWaalsContact NE2-CD 3.35Å; Q2218-E2220 PolarHBondContact NE2-OE1 3.38Å; E2220-V2222 PolarHBondContact O-N 2.85Å; E2220-V2222 VanDerWaalsContact O-N 3.1Å; E2220-N2223 PolarHBondContact O-N 2.8Å | ||
| 2221 | H | 27.1 | Very low | 29.5 | Very low | 148 Ų | 148 | 95.3 Ų | 95.3 | 69% | 0.685 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.6 | -11.8 | -175.9 | -125.4 | -42.2 | 0 | 0 | 0 | 115.2 | E2224 | H2221-E2224 IonicContact CE1-OE2 2.76Å; H2221-E2224 IonicContact ND1-OE2 3.76Å |
| 2222 | V | 30.8 | Very low | 30.4 | Very low | 45 Ų | 45 | 90.1 Ų | 90.1 | 27% | 0.273 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -80.6 | -25.7 | -178.5 | 169.5 | 0 | 0 | 0 | 0 | 112.3 | Y2219 E2220 L2225 N2226 | Y2219-V2222 HydrophobicContact CD1-CG2 3.65Å; Y2219-V2222 HydrophobicContact CE1-CG2 4.1Å; E2220-V2222 PolarHBondContact O-N 2.85Å; E2220-V2222 VanDerWaalsContact O-N 3.1Å; V2222-L2225 PolarHBondContact O-N 3.39Å; V2222-N2226 WeakPolarHBondContact CG1-ND2 3.32Å; V2222-N2226 WeakPolarHBondContact O-CB 3.32Å; V2222-N2226 VanDerWaalsContact O-CG 3.23Å; V2222-N2226 PolarHBondContact O-N 3.34Å; V2222-N2226 PolarHBondContact O-ND2 3.07Å |
| 2223 | N | 31.3 | Very low | 31.5 | Very low | 117 Ų | 117 | 82.8 Ų | 82.8 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -71.8 | -32.8 | -177.4 | -74.2 | -29.4 | 0 | 0 | 0 | 113 | E2220 S2227 | E2220-N2223 PolarHBondContact O-N 2.8Å; N2223-S2227 PolarHBondContact O-N 2.99Å |
| 2224 | E | 32.2 | Very low | 32.5 | Very low | 122 Ų | 122 | 79.4 Ų | 79.4 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69 | -47.4 | 171.4 | -65 | -175.3 | 136.4 | 0 | 0 | 111.1 | H2221 N2226 S2227 F2228 | H2221-E2224 IonicContact CE1-OE2 2.76Å; H2221-E2224 IonicContact ND1-OE2 3.76Å; E2224-N2226 PolarHBondContact O-N 3.24Å; E2224-S2227 PolarHBondContact O-N 3.27Å; E2224-S2227 VanDerWaalsContact O-N 3.09Å; E2224-S2227 PolarHBondContact O-OG 3.17Å; E2224-F2228 VanDerWaalsContact O-CD2 3.24Å; E2224-F2228 WeakPolarHBondContact O-CD2 3.48Å; E2224-F2228 PolarHBondContact O-N 3.26Å; E2224-F2228 VanDerWaalsContact O-N 3.09Å |
| 2225 | L | 32.2 | Very low | 33.6 | Very low | 74 Ų | 74 | 74.8 Ų | 74.8 | 39% | 0.387 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.5 | -37.5 | 176.3 | -82.1 | 163.8 | 0 | 0 | 0 | 112.3 | V2222 S2227 F2228 F2229 | V2222-L2225 PolarHBondContact O-N 3.39Å; L2225-S2227 VanDerWaalsContact C-N 3.33Å; L2225-S2227 PolarHBondContact O-N 3.37Å; L2225-F2228 PolarHBondContact O-N 2.72Å; L2225-F2229 HydrophobicContact CB-CE2 4.41Å; L2225-F2229 HydrophobicContact CD2-CE2 4.1Å; L2225-F2229 WeakPolarHBondContact O-CD2 3.42Å; L2225-F2229 PolarHBondContact O-N 2.63Å |
| 2226 | N | 35.5 | Very low | 34.4 | Very low | 48 Ų | 48 | 76.5 Ų | 76.5 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71.2 | -19.6 | 177.9 | -74.2 | -11.6 | 0 | 0 | 0 | 114.5 | V2222 E2224 K2230 | V2222-N2226 WeakPolarHBondContact CG1-ND2 3.32Å; V2222-N2226 WeakPolarHBondContact O-CB 3.32Å; V2222-N2226 VanDerWaalsContact O-CG 3.23Å; V2222-N2226 PolarHBondContact O-N 3.34Å; V2222-N2226 PolarHBondContact O-ND2 3.07Å; E2224-N2226 PolarHBondContact O-N 3.24Å; N2226-K2230 WeakPolarHBondContact O-CG 3.16Å |
| 2227 | S | 36.9 | Very low | 35.1 | Very low | 54 Ų | 54 | 75.3 Ų | 75.3 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -81.3 | -43.7 | 166.6 | 64.2 | 0 | 0 | 0 | 0 | 111.2 | N2223 E2224 L2225 F2229 K2230 D2231 | N2223-S2227 PolarHBondContact O-N 2.99Å; E2224-S2227 PolarHBondContact O-N 3.27Å; E2224-S2227 VanDerWaalsContact O-N 3.09Å; E2224-S2227 PolarHBondContact O-OG 3.17Å; L2225-S2227 VanDerWaalsContact C-N 3.33Å; L2225-S2227 PolarHBondContact O-N 3.37Å; S2227-F2229 PolarHBondContact O-N 2.85Å; S2227-K2230 PolarHBondContact O-N 2.77Å; S2227-K2230 VanDerWaalsContact O-N 3.09Å; S2227-D2231 PolarHBondContact O-N 2.92Å |
| 2228 | F | 33.8 | Very low | 35.9 | Very low | 43 Ų | 43 | 71.2 Ų | 71.2 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -53.6 | -36.7 | 175.2 | -86.5 | -121 | 0 | 0 | 0 | 113.2 | E2224 L2225 G2232 T2241 | E2224-F2228 VanDerWaalsContact O-CD2 3.24Å; E2224-F2228 WeakPolarHBondContact O-CD2 3.48Å; E2224-F2228 PolarHBondContact O-N 3.26Å; E2224-F2228 VanDerWaalsContact O-N 3.09Å; L2225-F2228 PolarHBondContact O-N 2.72Å; F2228-G2232 CarbonylContact O-C 3.43Å; F2228-T2241 HydrophobicContact CZ-CG2 3.98Å |
| 2229 | F | 35.7 | Very low | 37 | Very low | 40 Ų | 40 | 66.1 Ų | 66.1 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -80 | -29.8 | 178 | -74.4 | -59.8 | 0 | 0 | 0 | 114.5 | I1867 L2225 S2227 L2233 | I1867-F2229 HydrophobicContact CG2-CD1 4.46Å; I1867-F2229 HydrophobicContact CG2-CE1 3.7Å; I1867-F2229 HydrophobicContact CG2-CE2 4.44Å; I1867-F2229 HydrophobicContact CG2-CZ 3.7Å; L2225-F2229 HydrophobicContact CB-CE2 4.41Å; L2225-F2229 HydrophobicContact CD2-CE2 4.1Å; L2225-F2229 WeakPolarHBondContact O-CD2 3.42Å; L2225-F2229 PolarHBondContact O-N 2.63Å; S2227-F2229 PolarHBondContact O-N 2.85Å; F2229-L2233 HydrophobicContact CD1-CD1 4.02Å; F2229-L2233 HydrophobicContact CE1-CD1 3.55Å; F2229-L2233 HydrophobicContact CZ-CD1 4.36Å |
| 2230 | K | 39.9 | Very low | 37.5 | Very low | 101 Ų | 101 | 60.5 Ų | 60.5 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.4 | -43.9 | 179 | -87 | 179.4 | 176.7 | 172.5 | 0 | 113.1 | N2226 S2227 G2232 | N2226-K2230 WeakPolarHBondContact O-CG 3.16Å; S2227-K2230 PolarHBondContact O-N 2.77Å; S2227-K2230 VanDerWaalsContact O-N 3.09Å; K2230-G2232 PolarHBondContact O-N 3.28Å |
| 2231 | D | 40.5 | Very low | 38.3 | Very low | 55 Ų | 55 | 58.5 Ų | 58.5 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -82.3 | -8.8 | -173.8 | -51.3 | -12.3 | 0 | 0 | 0 | 111.5 | S2227 T2235 Y2287 | S2227-D2231 PolarHBondContact O-N 2.92Å; D2231-T2235 HydrophobicContact CB-CG2 3.9Å; D2231-T2235 WeakPolarHBondContact O-CG2 3.15Å; D2231-Y2287 PolarHBondContact O-OH 2.99Å |
| 2232 | G | 44.9 | Very low | 38.9 | Very low | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | trans | 86.1 | 134.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F2228 K2230 L2234 T2235 | F2228-G2232 CarbonylContact O-C 3.43Å; K2230-G2232 PolarHBondContact O-N 3.28Å; G2232-L2234 PolarHBondContact O-N 3.32Å; G2232-T2235 PolarHBondContact O-N 3.43Å; G2232-T2235 PolarHBondContact O-OG1 3.1Å | ||
| 2233 | L | 46.5 | Very low | 39.2 | Very low | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 1 | -164.5 | -150.1 | 127.1 | 0 | 0 | 0 | 116.3 | I1891 F2229 L2242 | I1891-L2233 HydrophobicContact CD1-CD2 3.96Å; I1891-L2233 HydrophobicContact CG1-CD2 4.12Å; F2229-L2233 HydrophobicContact CD1-CD1 4.02Å; F2229-L2233 HydrophobicContact CE1-CD1 3.55Å; F2229-L2233 HydrophobicContact CZ-CD1 4.36Å; L2233-L2242 HydrophobicContact CD2-CD2 4.01Å |
| 2234 | L | 44.5 | Very low | 39.2 | Very low | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 29.6 | -176 | -60.5 | 174.3 | 0 | 0 | 0 | 112.5 | G2232 I2239 V2257 A2284 | G2232-L2234 PolarHBondContact O-N 3.32Å; L2234-I2239 WeakPolarHBondContact O-CD1 3.47Å; L2234-V2257 HydrophobicContact CD2-CG1 4.25Å; L2234-A2284 HydrophobicContact CD1-CB 3.8Å |
| 2235 | T | 46.1 | Very low | 39.4 | Very low | 20 Ų | 20 | 54.9 Ų | 54.9 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -71.5 | 153.6 | 162.8 | 44.7 | 0 | 0 | 0 | 0 | 111.5 | D2231 G2232 T2237 S2238 I2239 | D2231-T2235 HydrophobicContact CB-CG2 3.9Å; D2231-T2235 WeakPolarHBondContact O-CG2 3.15Å; G2232-T2235 PolarHBondContact O-N 3.43Å; G2232-T2235 PolarHBondContact O-OG1 3.1Å; T2235-T2237 VanDerWaalsContact C-N 3.28Å; T2235-T2237 PolarHBondContact O-N 2.84Å; T2235-T2237 PolarHBondContact OG1-OG1 3.37Å; T2235-S2238 WeakPolarHBondContact O-CA 3.5Å; T2235-S2238 WeakPolarHBondContact O-CB 3.32Å; T2235-S2238 PolarHBondContact O-N 3.35Å; T2235-S2238 PolarHBondContact OG1-OG 3.03Å; T2235-I2239 WeakPolarHBondContact O-CD1 3.38Å; T2235-I2239 VanDerWaalsContact O-CG1 3.25Å; T2235-I2239 WeakPolarHBondContact O-CG1 3.37Å; T2235-I2239 PolarHBondContact O-N 3.45Å |
| 2236 | Y | 40.5 | Very low | 39.4 | Very low | 99 Ų | 99 | 56.6 Ų | 56.6 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | -172.5 | -175.1 | -104.1 | 0 | 0 | 0 | 113.5 | S2240 I2254 | Y2236-S2240 PolarHBondContact O-N 2.91Å; Y2236-S2240 VanDerWaalsContact O-N 3.14Å; Y2236-S2240 PolarHBondContact O-OG 3.26Å; Y2236-I2254 HydrophobicContact CD2-CD1 4.34Å; Y2236-I2254 HydrophobicContact CE2-CD1 3.66Å; Y2236-I2254 HydrophobicContact CE2-CG1 4.21Å |
| 2237 | T | 38.6 | Very low | 39.1 | Very low | 53 Ų | 53 | 60.1 Ų | 60.1 | 33% | 0.325 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.6 | -54.1 | 167.3 | 36.7 | 0 | 0 | 0 | 0 | 112.2 | T2235 I2239 S2240 T2241 Y2498 | T2235-T2237 VanDerWaalsContact C-N 3.28Å; T2235-T2237 PolarHBondContact O-N 2.84Å; T2235-T2237 PolarHBondContact OG1-OG1 3.37Å; T2237-I2239 VanDerWaalsContact C-N 3.33Å; T2237-I2239 PolarHBondContact O-N 3.23Å; T2237-S2240 PolarHBondContact O-OG 2.91Å; T2237-T2241 PolarHBondContact O-N 2.94Å; T2237-T2241 PolarHBondContact O-OG1 3.4Å; T2237-Y2498 HydrophobicContact CG2-CE2 3.87Å; T2237-Y2498 WeakPolarHBondContact CG2-OH 3.5Å |
| 2238 | S | 43 | Very low | 38.8 | Very low | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | -180 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | T2235 T2241 L2242 | T2235-S2238 WeakPolarHBondContact O-CA 3.5Å; T2235-S2238 WeakPolarHBondContact O-CB 3.32Å; T2235-S2238 PolarHBondContact O-N 3.35Å; T2235-S2238 PolarHBondContact OG1-OG 3.03Å; S2238-T2241 PolarHBondContact O-N 3.2Å; S2238-L2242 WeakPolarHBondContact O-CB 3.41Å; S2238-L2242 PolarHBondContact O-N 2.88Å |
| 2239 | I | 43.7 | Very low | 38.4 | Very low | 19 Ų | 19 | 69.4 Ų | 69.4 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.6 | -47.9 | -177.9 | -65.9 | 158.9 | 0 | 0 | 0 | 112.3 | L2234 T2235 T2237 T2241 L2242 F2243 V2257 | L2234-I2239 WeakPolarHBondContact O-CD1 3.47Å; T2235-I2239 WeakPolarHBondContact O-CD1 3.38Å; T2235-I2239 VanDerWaalsContact O-CG1 3.25Å; T2235-I2239 WeakPolarHBondContact O-CG1 3.37Å; T2235-I2239 PolarHBondContact O-N 3.45Å; T2237-I2239 VanDerWaalsContact C-N 3.33Å; T2237-I2239 PolarHBondContact O-N 3.23Å; I2239-T2241 PolarHBondContact O-N 2.98Å; I2239-L2242 PolarHBondContact O-N 3.37Å; I2239-F2243 HydrophobicContact CG2-CD2 4.02Å; I2239-F2243 WeakPolarHBondContact O-CD2 3.44Å; I2239-F2243 PolarHBondContact O-N 3.27Å; I2239-F2243 VanDerWaalsContact O-N 3.1Å; I2239-V2257 HydrophobicContact CD1-CB 3.64Å; I2239-V2257 HydrophobicContact CD1-CG1 3.32Å; I2239-V2257 HydrophobicContact CD1-CG2 4.36Å; I2239-V2257 HydrophobicContact CG1-CB 4.45Å; I2239-V2257 HydrophobicContact CG1-CG1 3.63Å; I2239-V2257 HydrophobicContact CG2-CG1 4.04Å; I2239-V2257 HydrophobicContact CG2-CG2 4.46Å |
| 2240 | S | 39.7 | Very low | 38.1 | Very low | 53 Ų | 53 | 70.1 Ų | 70.1 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.3 | -33.4 | -178.8 | 62.5 | 0 | 0 | 0 | 0 | 112 | Y2236 T2237 G2244 I2245 | Y2236-S2240 PolarHBondContact O-N 2.91Å; Y2236-S2240 VanDerWaalsContact O-N 3.14Å; Y2236-S2240 PolarHBondContact O-OG 3.26Å; T2237-S2240 PolarHBondContact O-OG 2.91Å; S2240-G2244 WeakPolarHBondContact O-CA 3.46Å; S2240-G2244 PolarHBondContact O-N 3.44Å; S2240-I2245 PolarHBondContact O-N 3.45Å |
| 2241 | T | 40.4 | Very low | 37.5 | Very low | 96 Ų | 96 | 69.5 Ų | 69.5 | 59% | 0.589 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -81.1 | -45 | 179.5 | -43.4 | 0 | 0 | 0 | 0 | 112.2 | F2228 T2237 S2238 I2239 F2243 | F2228-T2241 HydrophobicContact CZ-CG2 3.98Å; T2237-T2241 PolarHBondContact O-N 2.94Å; T2237-T2241 PolarHBondContact O-OG1 3.4Å; S2238-T2241 PolarHBondContact O-N 3.2Å; I2239-T2241 PolarHBondContact O-N 2.98Å; T2241-F2243 PolarHBondContact O-N 3.4Å |
| 2242 | L | 39.3 | Very low | 37.1 | Very low | 74 Ų | 74 | 74 Ų | 74 | 39% | 0.387 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.5 | -31.9 | -175.1 | -164.4 | 76.5 | 0 | 0 | 0 | 113 | L2233 S2238 I2239 | L2233-L2242 HydrophobicContact CD2-CD2 4.01Å; S2238-L2242 WeakPolarHBondContact O-CB 3.41Å; S2238-L2242 PolarHBondContact O-N 2.88Å; I2239-L2242 PolarHBondContact O-N 3.37Å |
| 2243 | F | 37.5 | Very low | 36.5 | Very low | 128 Ų | 128 | 79.2 Ų | 79.2 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -5.9 | 178.5 | -64.3 | -78 | 0 | 0 | 0 | 113.9 | I2239 T2241 I2245 | I2239-F2243 HydrophobicContact CG2-CD2 4.02Å; I2239-F2243 WeakPolarHBondContact O-CD2 3.44Å; I2239-F2243 PolarHBondContact O-N 3.27Å; I2239-F2243 VanDerWaalsContact O-N 3.1Å; T2241-F2243 PolarHBondContact O-N 3.4Å; F2243-I2245 HydrophobicContact CB-CD1 4.18Å; F2243-I2245 HydrophobicContact CB-CG1 4.09Å; F2243-I2245 PolarHBondContact O-N 3.2Å |
| 2244 | G | 31.9 | Very low | 35.8 | Very low | 56 Ų | 56 | 80 Ų | 80 | 58% | 0.577 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 43.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | S2240 P2246 | S2240-G2244 WeakPolarHBondContact O-CA 3.46Å; S2240-G2244 PolarHBondContact O-N 3.44Å; G2244-P2246 WeakPolarHBondContact O-CD 3.32Å |
| 2245 | I | 35.7 | Very low | 35.4 | Very low | 98 Ų | 98 | 83.1 Ų | 83.1 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | trans | -91.1 | 108 | -176.8 | -56.2 | 175.8 | 0 | 0 | 0 | 109.8 | S2240 F2243 D2247 | S2240-I2245 PolarHBondContact O-N 3.45Å; F2243-I2245 HydrophobicContact CB-CD1 4.18Å; F2243-I2245 HydrophobicContact CB-CG1 4.09Å; F2243-I2245 PolarHBondContact O-N 3.2Å; I2245-D2247 PolarHBondContact O-N 2.98Å | ||
| 2246 | P | 31.9 | Very low | 35.1 | Very low | 110 Ų | 110 | 86.7 Ų | 86.7 | 71% | 0.714 | 47% | 0.473 | S | S | * | . | trans | -78.4 | 123.8 | 175.4 | 32.4 | -34.1 | 0 | 0 | 0 | 111.3 | G2244 | G2244-P2246 WeakPolarHBondContact O-CD 3.32Š| ||
| 2247 | D | 30.8 | Very low | 35.5 | Very low | 123 Ų | 123 | 83.6 Ų | 83.6 | 66% | 0.658 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 29.9 | 118.1 | 147.6 | -133.2 | 13.3 | 0 | 0 | 0 | 119.9 | I2245 | I2245-D2247 PolarHBondContact O-N 2.98Š|
| 2248 | K | 30.4 | Very low | 36.6 | Very low | 154 Ų | 154 | 82.8 Ų | 82.8 | 67% | 0.67 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 82 | 14.3 | 148.9 | -63.8 | 172.6 | 176.6 | 69.1 | 0 | 121.9 | ||
| 2249 | T | 25.5 | Very low | 38.2 | Very low | 138 Ų | 138 | 84.4 Ų | 84.4 | 85% | 0.847 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -134.4 | 110.7 | 165 | 58.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 2250 | G | 28.1 | Very low | 40 | Very low | 55 Ų | 55 | 85.9 Ų | 85.9 | 57% | 0.567 | 47% | 0.47 | S | S | * | . | trans | 110.4 | 56.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q2252 | G2250-Q2252 PolarHBondContact O-N 3.03Š| ||
| 2251 | F | 28.6 | Very low | 42 | Very low | 88 Ų | 88 | 84.7 Ų | 84.7 | 39% | 0.386 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -64.5 | 7.4 | -176.8 | -87.2 | -85.5 | 0 | 0 | 0 | 117.4 | E2253 I2254 S2508 | F2251-E2253 VanDerWaalsContact C-N 3.35Å; F2251-I2254 HydrophobicContact CD1-CD1 3.63Å; F2251-I2254 HydrophobicContact CE1-CD1 4.01Å; F2251-S2508 VanDerWaalsContact CD1-CB 3.47Å |
| 2252 | Q | 32.2 | Very low | 44.2 | Very low | 148 Ų | 148 | 80.3 Ų | 80.3 | 69% | 0.692 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -85.4 | -3.1 | -176.4 | -145.6 | 170.3 | 31.9 | 0 | 0 | 114 | G2250 | G2250-Q2252 PolarHBondContact O-N 3.03Š|
| 2253 | E | 30.8 | Very low | 46.3 | Very low | 115 Ų | 115 | 77.1 Ų | 77.1 | 54% | 0.537 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -90.8 | -16.6 | -177.1 | -62.5 | -174.5 | 150.3 | 0 | 0 | 114.1 | F2251 D2255 Q2256 V2257 | F2251-E2253 VanDerWaalsContact C-N 3.35Å; E2253-D2255 VanDerWaalsContact C-N 3.35Å; E2253-D2255 PolarHBondContact O-N 3.19Å; E2253-Q2256 VanDerWaalsContact O-CB 3.27Å; E2253-Q2256 WeakPolarHBondContact O-CB 3.49Å; E2253-Q2256 PolarHBondContact O-N 3.43Å; E2253-V2257 WeakPolarHBondContact O-CG2 3.41Å |
| 2254 | I | 32 | Very low | 48.6 | Very low | 34 Ų | 34 | 71.9 Ų | 71.9 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.6 | -36.6 | -171.6 | -60 | -177.9 | 0 | 0 | 0 | 113.1 | Y2236 F2251 Q2256 V2257 F2511 | Y2236-I2254 HydrophobicContact CD2-CD1 4.34Å; Y2236-I2254 HydrophobicContact CE2-CD1 3.66Å; Y2236-I2254 HydrophobicContact CE2-CG1 4.21Å; F2251-I2254 HydrophobicContact CD1-CD1 3.63Å; F2251-I2254 HydrophobicContact CE1-CD1 4.01Å; I2254-Q2256 PolarHBondContact O-N 3.39Å; I2254-V2257 PolarHBondContact O-N 3.25Å; I2254-F2511 HydrophobicContact CB-CE2 3.94Å; I2254-F2511 HydrophobicContact CB-CZ 4.18Å; I2254-F2511 HydrophobicContact CG2-CD2 4.34Å; I2254-F2511 HydrophobicContact CG2-CE1 4.35Å; I2254-F2511 HydrophobicContact CG2-CE2 3.73Å; I2254-F2511 HydrophobicContact CG2-CZ 3.74Å |
| 2255 | D | 36.2 | Very low | 50.7 | Low | 83 Ų | 83 | 71 Ų | 71 | 44% | 0.444 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -28.6 | 175.7 | -107.9 | -36.9 | 0 | 0 | 0 | 112.2 | E2253 V2257 R2259 F2511 | E2253-D2255 VanDerWaalsContact C-N 3.35Å; E2253-D2255 PolarHBondContact O-N 3.19Å; D2255-V2257 VanDerWaalsContact C-N 3.3Å; D2255-V2257 PolarHBondContact O-N 3.41Å; D2255-R2259 PolarHBondContact O-N 3.33Å; D2255-R2259 VanDerWaalsContact O-N 3.15Å; D2255-F2511 HydrophobicContact CB-CZ 4.13Å; D2255-F2511 WeakPolarHBondContact OD1-CZ 3.35Å |
| 2256 | Q | 40.8 | Very low | 52.8 | Low | 96 Ų | 96 | 66.9 Ų | 66.9 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -75.6 | -18 | -178.9 | -49 | -175.2 | 40.6 | 0 | 0 | 113.2 | E2253 I2254 R2259 | E2253-Q2256 VanDerWaalsContact O-CB 3.27Å; E2253-Q2256 WeakPolarHBondContact O-CB 3.49Å; E2253-Q2256 PolarHBondContact O-N 3.43Å; I2254-Q2256 PolarHBondContact O-N 3.39Å; Q2256-R2259 CarbonylContact C-O 3.59Å |
| 2257 | V | 47.5 | Very low | 54.6 | Low | 34 Ų | 34 | 63.6 Ų | 63.6 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -94.4 | -22.3 | -176.8 | -142 | 0 | 0 | 0 | 0 | 112.2 | L2234 I2239 E2253 I2254 D2255 | L2234-V2257 HydrophobicContact CD2-CG1 4.25Å; I2239-V2257 HydrophobicContact CD1-CB 3.64Å; I2239-V2257 HydrophobicContact CD1-CG1 3.32Å; I2239-V2257 HydrophobicContact CD1-CG2 4.36Å; I2239-V2257 HydrophobicContact CG1-CB 4.45Å; I2239-V2257 HydrophobicContact CG1-CG1 3.63Å; I2239-V2257 HydrophobicContact CG2-CG1 4.04Å; I2239-V2257 HydrophobicContact CG2-CG2 4.46Å; E2253-V2257 WeakPolarHBondContact O-CG2 3.41Å; I2254-V2257 PolarHBondContact O-N 3.25Å; D2255-V2257 VanDerWaalsContact C-N 3.3Å; D2255-V2257 PolarHBondContact O-N 3.41Å |
| 2258 | L | 63.4 | Low | 55.9 | Low | 35 Ų | 35 | 58.9 Ų | 58.9 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -92.5 | -19 | 170.8 | -66.4 | 173.6 | 0 | 0 | 0 | 112.9 | A2284 V2492 F2511 | L2258-A2284 PolarHBondContact O-N 2.74Å; L2258-V2492 HydrophobicContact CD1-CG2 4.01Å; L2258-V2492 HydrophobicContact CD2-CG2 3.88Å; L2258-F2511 HydrophobicContact CD1-CD1 4.45Å; L2258-F2511 HydrophobicContact CD1-CE1 3.94Å |
| 2259 | R | 75.2 | Confident | 56.8 | Low | 36 Ų | 36 | 57.5 Ų | 57.5 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 128.1 | 178.8 | -70.9 | -173.8 | 158.3 | -147.2 | -14.7 | 112.9 | D2255 Q2256 V2281 Y2282 D2283 S2293 E2295 | D2255-R2259 PolarHBondContact O-N 3.33Å; D2255-R2259 VanDerWaalsContact O-N 3.15Å; Q2256-R2259 CarbonylContact C-O 3.59Å; R2259-V2281 HydrophobicContact CB-CG1 4.26Å; R2259-Y2282 CarbonylContact C-O 3.35Å; R2259-Y2282 VanDerWaalsContact CA-O 3.29Å; R2259-Y2282 WeakPolarHBondContact CA-O 3.3Å; R2259-D2283 IonicContact CZ-OD1 3.84Å; R2259-D2283 IonicContact NE-OD1 3.91Å; R2259-D2283 PolarHBondContact NE-OD1 3.25Å; R2259-D2283 IonicContact NH2-OD1 2.94Å; R2259-D2283 PolarHBondContact NH2-OD1 2.66Å; R2259-D2283 IonicContact NH2-OD2 2.63Å; R2259-S2293 PolarHBondContact NH2-OG 3.03Å; R2259-E2295 IonicContact NH1-OE2 3.44Å |
| 2260 | K | 81.3 | Confident | 57.9 | Low | 49 Ų | 49 | 57.8 Ų | 57.8 | 21% | 0.213 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 168.3 | 172.2 | -71.6 | -173.9 | -178.9 | 179.3 | 0 | 111.2 | Y1895 E2128 V2281 Y2282 A2284 | Y1895-K2260 VanDerWaalsContact CZ-NZ 3.26Å; Y1895-K2260 PolarHBondContact OH-NZ 2.81Å; E2128-K2260 WeakPolarHBondContact O-CD 3.25Å; E2128-K2260 WeakPolarHBondContact O-CE 3.26Å; E2128-K2260 PolarHBondContact O-NZ 3.4Å; K2260-V2281 CarbonylContact O-C 3.59Å; K2260-V2281 WeakPolarHBondContact O-CA 3.46Å; K2260-Y2282 HydrophobicContact CB-CD2 4.23Å; K2260-Y2282 HydrophobicContact CB-CE1 4Å; K2260-Y2282 HydrophobicContact CB-CE2 3.59Å; K2260-Y2282 VanDerWaalsContact CB-CZ 3.43Å; K2260-Y2282 WeakPolarHBondContact CB-OH 3.36Å; K2260-Y2282 HydrophobicContact CD-CE2 3.98Å; K2260-Y2282 WeakPolarHBondContact CD-OH 3.49Å; K2260-Y2282 HydrophobicContact CG-CE2 4.33Å; K2260-Y2282 PolarHBondContact N-O 2.83Å; K2260-Y2282 PolarHBondContact O-N 3.17Å; K2260-A2284 HydrophobicContact CG-CB 4.39Å |
| 2261 | S | 83.4 | Confident | 59.1 | Low | 29 Ų | 29 | 57.5 Ų | 57.5 | 20% | 0.203 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 134.3 | 174.6 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | C2280 | S2261-C2280 CarbonylContact C-O 3.31Å; S2261-C2280 VanDerWaalsContact CA-O 3.28Å; S2261-C2280 WeakPolarHBondContact CA-O 3.25Å |
| 2262 | C | 85.7 | Confident | 60.5 | Low | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.02 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 161.3 | 173.9 | 66.7 | 0 | 0 | 0 | 0 | 113 | N2124 W2126 H2279 C2280 Y2282 | N2124-C2262 CarbonylContact O-C 3.44Å; N2124-C2262 WeakPolarHBondContact O-CA 3.46Å; W2126-C2262 WeakPolarHBondContact O-CB 3.38Å; C2262-H2279 CarbonylContact O-C 3.57Å; C2262-H2279 WeakPolarHBondContact O-CA 3.45Å; C2262-C2280 PolarHBondContact N-O 2.93Å; C2262-C2280 PolarHBondContact O-N 3.03Å; C2262-Y2282 HydrophobicContact CB-CE1 4.14Å |
| 2263 | L | 84.4 | Confident | 62.1 | Low | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 93 | -171.5 | -176.3 | 69.2 | 0 | 0 | 0 | 112 | R1248 I1586 N2124 D2265 W2277 A2278 | R1248-L2263 PolarHBondContact NH2-O 3.28Å; I1586-L2263 HydrophobicContact CD1-CD2 4.4Å; I1586-L2263 HydrophobicContact CG1-CD2 3.74Å; N2124-L2263 WeakPolarHBondContact O-CB 3.06Å; N2124-L2263 PolarHBondContact O-N 3.21Å; L2263-D2265 PolarHBondContact O-N 3.01Å; L2263-W2277 HydrophobicContact CD1-CB 4.15Å; L2263-W2277 HydrophobicContact CD1-CG 4.2Å; L2263-A2278 CarbonylContact C-O 3.51Å |
| 2264 | C | 84.5 | Confident | 63.9 | Low | 18 Ų | 18 | 52.8 Ų | 52.8 | 12% | 0.122 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 114 | 172 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | A2278 | C2264-A2278 PolarHBondContact N-O 3.16Å; C2264-A2278 PolarHBondContact O-N 2.79Å |
| 2265 | D | 77.2 | Confident | 66.1 | Low | 39 Ų | 39 | 52.3 Ų | 52.3 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 135.7 | 166.2 | -147.4 | -59.6 | 0 | 0 | 0 | 110.9 | R1248 R1660 L2263 D2267 | R1248-D2265 IonicContact CZ-OD2 3.67Å; R1248-D2265 IonicContact NE-OD2 2.68Å; R1248-D2265 VanDerWaalsContact NH1-CB 3.32Å; R1248-D2265 IonicContact NH1-OD2 3.27Å; R1248-D2265 PolarHBondContact NH1-OD2 2.91Å; R1660-D2265 PolarHBondContact NH2-O 3.37Å; L2263-D2265 PolarHBondContact O-N 3.01Å; D2265-D2267 WeakPolarHBondContact OD1-CB 3.46Å; D2265-D2267 PolarHBondContact OD1-N 3.36Å |
| 2266 | L | 79 | Confident | 68.4 | Low | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | trans | -111.8 | 3.4 | 176.2 | -67.4 | 108.5 | 0 | 0 | 0 | 113.4 | E2276 A2278 V2301 R2305 M2306 L2309 | L2266-E2276 PolarHBondContact N-O 3.31Å; L2266-A2278 HydrophobicContact CD1-CB 3.91Å; L2266-V2301 HydrophobicContact CD1-CG1 4.14Å; L2266-V2301 HydrophobicContact CD1-CG2 3.9Å; L2266-V2301 HydrophobicContact CD2-CG1 4.07Å; L2266-R2305 HydrophobicContact CB-CB 4.47Å; L2266-R2305 HydrophobicContact CD2-CB 4.01Å; L2266-M2306 HydrophobicContact CD1-CE 3.75Å; L2266-M2306 HydrophobicContact CD2-CE 3.75Å; L2266-M2306 HydrophobicContact CD2-SD 4.41Å; L2266-M2306 HydrophobicContact CG-CE 4.4Å; L2266-L2309 HydrophobicContact CD2-CB 4.2Å; L2266-L2309 HydrophobicContact CD2-CD2 4.04Å | ||
| 2267 | D | 69.8 | Low | 70.6 | Confident | 42 Ų | 42 | 44.1 Ų | 44.1 | 23% | 0.225 | 26% | 0.257 | C | S | . | . | trans | -67.1 | 135.7 | 171.2 | -77.3 | -32.8 | 0 | 0 | 0 | 111.4 | D2265 N2271 V2275 | D2265-D2267 WeakPolarHBondContact OD1-CB 3.46Å; D2265-D2267 PolarHBondContact OD1-N 3.36Å; D2267-N2271 PolarHBondContact OD1-ND2 3.27Å; D2267-V2275 WeakPolarHBondContact OD2-CA 3.47Å; D2267-V2275 VanDerWaalsContact OD2-CG1 3.3Å; D2267-V2275 WeakPolarHBondContact OD2-CG1 3.46Å | ||
| 2268 | G | 58.6 | Low | 72.6 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 25% | 0.247 | 25% | 0.247 | C | C | . | . | trans | -92.9 | 160.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N2270 N2271 | G2268-N2270 PolarHBondContact O-N 2.9Å; G2268-N2271 WeakPolarHBondContact O-CB 3.47Å; G2268-N2271 PolarHBondContact O-N 3.11Å | ||
| 2269 | P | 47.7 | Very low | 73.8 | Confident | 125 Ų | 125 | 41.7 Ų | 41.7 | 81% | 0.812 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -7.3 | -171.6 | 25.5 | -35.6 | 0 | 0 | 0 | 115.8 | ||
| 2270 | N | 48.7 | Very low | 74.5 | Confident | 144 Ų | 144 | 40 Ų | 40 | 77% | 0.77 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | 30.4 | -179 | -63.2 | -26.5 | 0 | 0 | 0 | 112.1 | G2268 D2272 | G2268-N2270 PolarHBondContact O-N 2.9Å; N2270-D2272 PolarHBondContact O-N 3.17Å |
| 2271 | N | 55 | Low | 74.9 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | trans | -91.2 | 93.2 | -167.5 | -155.6 | 41.3 | 0 | 0 | 0 | 113.3 | D2267 G2268 G2273 | D2267-N2271 PolarHBondContact OD1-ND2 3.27Å; G2268-N2271 WeakPolarHBondContact O-CB 3.47Å; G2268-N2271 PolarHBondContact O-N 3.11Å; N2271-G2273 PolarHBondContact O-N 2.91Å | ||
| 2272 | D | 57.2 | Low | 75.2 | Confident | 178 Ų | 178 | 37.6 Ų | 37.6 | 95% | 0.952 | 22% | 0.224 | S | C | * | . | trans | -69.6 | 31 | 164.2 | -67 | -38.2 | 0 | 0 | 0 | 112.5 | N2270 | N2270-D2272 PolarHBondContact O-N 3.17Š| ||
| 2273 | G | 64.7 | Low | 75.3 | Confident | 25 Ų | 25 | 37.9 Ų | 37.9 | 26% | 0.258 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -98.1 | 174.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N2271 | N2271-G2273 PolarHBondContact O-N 2.91Š|
| 2274 | P | 70.7 | Confident | 75.3 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 31% | 0.312 | 22% | 0.223 | S | C | . | . | trans | -62.6 | 142.4 | 155.6 | 31.5 | -33.5 | 0 | 0 | 0 | 108.8 | E2276 | P2274-E2276 WeakPolarHBondContact O-CG 3.37Š| ||
| 2275 | V | 77.1 | Confident | 75.2 | Confident | 24 Ų | 24 | 37 Ų | 37 | 15% | 0.145 | 22% | 0.219 | C | C | . | . | trans | -71.5 | 133.8 | 178.5 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | R1584 D2267 W2277 | R1584-V2275 VanDerWaalsContact CZ-CG1 3.49Å; D2267-V2275 WeakPolarHBondContact OD2-CA 3.47Å; D2267-V2275 VanDerWaalsContact OD2-CG1 3.3Å; D2267-V2275 WeakPolarHBondContact OD2-CG1 3.46Å; V2275-W2277 HydrophobicContact CG1-CE3 4.29Å | ||
| 2276 | E | 85.3 | Confident | 75.8 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | trans | -129.9 | 130.8 | -172.9 | -57.6 | -149.7 | 130.2 | 0 | 0 | 113.8 | R113 L2266 P2274 V2300 V2301 T2302 | R113-E2276 IonicContact CZ-OE1 2.77Å; R113-E2276 IonicContact NE-OE1 3.18Å; R113-E2276 PolarHBondContact NE-OE1 2.9Å; R113-E2276 IonicContact NH2-OE1 3.19Å; R113-E2276 PolarHBondContact NH2-OE1 3.29Å; L2266-E2276 PolarHBondContact N-O 3.31Å; P2274-E2276 WeakPolarHBondContact O-CG 3.37Å; E2276-V2300 CarbonylContact C-O 3.5Å; E2276-V2300 WeakPolarHBondContact CA-O 3.49Å; E2276-V2300 VanDerWaalsContact CB-O 3.27Å; E2276-V2300 WeakPolarHBondContact CB-O 3.43Å; E2276-V2301 HydrophobicContact CB-CG1 4.49Å; E2276-T2302 PolarHBondContact OE1-N 3.31Å; E2276-T2302 VanDerWaalsContact OE1-N 3.09Å; E2276-T2302 WeakPolarHBondContact OE2-CB 3.07Å; E2276-T2302 PolarHBondContact OE2-N 3.24Å | ||
| 2277 | W | 85.7 | Confident | 75.9 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.011 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.9 | -172.7 | 71.9 | 92.9 | 0 | 0 | 0 | 114.1 | L1251 Y1580 L1581 R1584 L2263 V2275 V2300 V2301 | L1251-W2277 HydrophobicContact CD1-CH2 3.93Å; L1251-W2277 HydrophobicContact CD1-CZ3 4.14Å; Y1580-W2277 HydrophobicContact CE1-CZ2 4.41Å; Y1580-W2277 AromaticContact CZ-NE1 3.87Å; Y1580-W2277 PolarHBondContact OH-NE1 3.05Å; L1581-W2277 HydrophobicContact CD2-CH2 4.38Å; L1581-W2277 HydrophobicContact CD2-CZ2 4.24Å; R1584-W2277 HydrophobicContact CB-CD2 4.25Å; R1584-W2277 HydrophobicContact CB-CH2 4.35Å; R1584-W2277 HydrophobicContact CB-CZ2 3.9Å; R1584-W2277 HydrophobicContact CG-CD2 4.35Å; R1584-W2277 HydrophobicContact CG-CE3 4.28Å; R1584-W2277 HydrophobicContact CG-CH2 3.83Å; R1584-W2277 HydrophobicContact CG-CZ2 3.9Å; R1584-W2277 HydrophobicContact CG-CZ3 4.03Å; R1584-W2277 PolarHBondContact O-NE1 3.05Å; R1584-W2277 VanDerWaalsContact O-NE1 3.09Å; L2263-W2277 HydrophobicContact CD1-CB 4.15Å; L2263-W2277 HydrophobicContact CD1-CG 4.2Å; V2275-W2277 HydrophobicContact CG1-CE3 4.29Å; W2277-V2300 HydrophobicContact CD2-CB 4.04Å; W2277-V2300 HydrophobicContact CD2-CG1 4.44Å; W2277-V2300 HydrophobicContact CD2-CG2 4.46Å; W2277-V2300 HydrophobicContact CE3-CB 3.9Å; W2277-V2300 HydrophobicContact CE3-CG1 3.79Å; W2277-V2300 HydrophobicContact CE3-CG2 4.49Å; W2277-V2300 HydrophobicContact CH2-CB 3.96Å; W2277-V2300 HydrophobicContact CH2-CG1 3.86Å; W2277-V2300 HydrophobicContact CH2-CG2 3.68Å; W2277-V2300 HydrophobicContact CZ2-CB 4.07Å; W2277-V2300 HydrophobicContact CZ2-CG1 4.47Å; W2277-V2300 HydrophobicContact CZ2-CG2 3.61Å; W2277-V2300 HydrophobicContact CZ3-CB 3.87Å; W2277-V2300 HydrophobicContact CZ3-CG1 3.47Å; W2277-V2300 VanDerWaalsContact CZ3-CG1 3.47Å; W2277-V2300 HydrophobicContact CZ3-CG2 4.13Å; W2277-V2300 PolarHBondContact N-O 3.38Å; W2277-V2301 WeakPolarHBondContact O-CG2 3.34Å |
| 2278 | A | 89.5 | Confident | 76.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2263 C2264 L2266 W2298 V2301 M2306 | L2263-A2278 CarbonylContact C-O 3.51Å; C2264-A2278 PolarHBondContact N-O 3.16Å; C2264-A2278 PolarHBondContact O-N 2.79Å; L2266-A2278 HydrophobicContact CD1-CB 3.91Å; A2278-W2298 HydrophobicContact CB-CB 3.74Å; A2278-V2301 HydrophobicContact CB-CG2 4.24Å; A2278-M2306 HydrophobicContact CB-CE 3.41Å; A2278-M2306 VanDerWaalsContact CB-CE 3.41Å |
| 2279 | H | 88.6 | Confident | 77.5 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 139.7 | 166.5 | -63.4 | -91.6 | 0 | 0 | 0 | 109.9 | Y1580 C2262 Q2297 | Y1580-H2279 AromaticContact CE2-NE2 3.74Å; Y1580-H2279 AromaticContact CZ-NE2 3.97Å; Y1580-H2279 PolarHBondContact OH-NE2 2.95Å; C2262-H2279 CarbonylContact O-C 3.57Å; C2262-H2279 WeakPolarHBondContact O-CA 3.45Å; H2279-Q2297 HydrophobicContact CB-CB 4.46Å; H2279-Q2297 PolarHBondContact N-O 3.46Å; H2279-Q2297 PolarHBondContact O-N 3.26Å |
| 2280 | C | 91 | Very high | 79.2 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 110.3 | 170.6 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | S2261 C2262 Y2282 L2296 | S2261-C2280 CarbonylContact C-O 3.31Å; S2261-C2280 VanDerWaalsContact CA-O 3.28Å; S2261-C2280 WeakPolarHBondContact CA-O 3.25Å; C2262-C2280 PolarHBondContact N-O 2.93Å; C2262-C2280 PolarHBondContact O-N 3.03Å; C2280-Y2282 WeakPolarHBondContact O-CD1 3.16Å; C2280-L2296 HydrophobicContact CB-CD2 4.2Å |
| 2281 | V | 88.5 | Confident | 81.1 | Confident | 21 Ų | 21 | 21.7 Ų | 21.7 | 13% | 0.127 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.2 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | R2259 K2260 I2294 E2295 Q2297 | R2259-V2281 HydrophobicContact CB-CG1 4.26Å; K2260-V2281 CarbonylContact O-C 3.59Å; K2260-V2281 WeakPolarHBondContact O-CA 3.46Å; V2281-I2294 CarbonylContact O-C 3.53Å; V2281-E2295 HydrophobicContact CB-CB 4.36Å; V2281-E2295 PolarHBondContact N-O 3.17Å; V2281-E2295 PolarHBondContact O-N 3.2Å; V2281-Q2297 HydrophobicContact CG2-CG 4.25Å |
| 2282 | Y | 90.6 | Very high | 82.9 | Confident | 5 Ų | 5 | 19.5 Ų | 19.5 | 2% | 0.02 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 152.4 | -173 | 57.8 | -88.8 | 0 | 0 | 0 | 111.6 | W2126 A2127 E2128 I2129 R2259 K2260 C2262 C2280 F2292 S2293 | W2126-Y2282 PolarHBondContact O-OH 3.23Å; A2127-Y2282 WeakPolarHBondContact CA-OH 3.3Å; A2127-Y2282 HydrophobicContact CB-CE1 4.19Å; E2128-Y2282 PolarHBondContact N-OH 3.16Å; I2129-Y2282 HydrophobicContact CD1-CD2 4.04Å; I2129-Y2282 HydrophobicContact CD1-CE2 4.31Å; I2129-Y2282 HydrophobicContact CG1-CD2 3.54Å; I2129-Y2282 HydrophobicContact CG1-CE2 3.56Å; R2259-Y2282 CarbonylContact C-O 3.35Å; R2259-Y2282 VanDerWaalsContact CA-O 3.29Å; R2259-Y2282 WeakPolarHBondContact CA-O 3.3Å; K2260-Y2282 HydrophobicContact CB-CD2 4.23Å; K2260-Y2282 HydrophobicContact CB-CE1 4Å; K2260-Y2282 HydrophobicContact CB-CE2 3.59Å; K2260-Y2282 VanDerWaalsContact CB-CZ 3.43Å; K2260-Y2282 WeakPolarHBondContact CB-OH 3.36Å; K2260-Y2282 HydrophobicContact CD-CE2 3.98Å; K2260-Y2282 WeakPolarHBondContact CD-OH 3.49Å; K2260-Y2282 HydrophobicContact CG-CE2 4.33Å; K2260-Y2282 PolarHBondContact N-O 2.83Å; K2260-Y2282 PolarHBondContact O-N 3.17Å; C2262-Y2282 HydrophobicContact CB-CE1 4.14Å; C2280-Y2282 WeakPolarHBondContact O-CD1 3.16Å; Y2282-F2292 HydrophobicContact CD2-CZ 4.44Å; Y2282-S2293 WeakPolarHBondContact CA-O 3.37Å |
| 2283 | D | 86.9 | Confident | 84.5 | Confident | 10 Ų | 10 | 11 Ų | 11 | 5% | 0.053 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 136.4 | 175 | -57.1 | -40.4 | 0 | 0 | 0 | 110 | R2259 N2285 F2292 S2293 | R2259-D2283 IonicContact CZ-OD1 3.84Å; R2259-D2283 IonicContact NE-OD1 3.91Å; R2259-D2283 PolarHBondContact NE-OD1 3.25Å; R2259-D2283 IonicContact NH2-OD1 2.94Å; R2259-D2283 PolarHBondContact NH2-OD1 2.66Å; R2259-D2283 IonicContact NH2-OD2 2.63Å; D2283-N2285 VanDerWaalsContact C-N 3.26Å; D2283-N2285 PolarHBondContact O-N 3.25Å; D2283-F2292 HydrophobicContact CB-CD2 4.28Å; D2283-F2292 HydrophobicContact CB-CE2 4.07Å; D2283-F2292 WeakPolarHBondContact O-CE2 3.44Å; D2283-S2293 PolarHBondContact N-O 2.83Å; D2283-S2293 WeakPolarHBondContact OD2-CA 3.43Å; D2283-S2293 WeakPolarHBondContact OD2-CB 3.31Å; D2283-S2293 PolarHBondContact OD2-N 2.94Å |
| 2284 | A | 84 | Confident | 85.8 | Confident | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -71.2 | -20.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S2130 L2234 L2258 K2260 | S2130-A2284 PolarHBondContact N-O 3.04Å; L2234-A2284 HydrophobicContact CD1-CB 3.8Å; L2258-A2284 PolarHBondContact O-N 2.74Å; K2260-A2284 HydrophobicContact CG-CB 4.39Å |
| 2285 | N | 83.9 | Confident | 86.7 | Confident | 7 Ų | 7 | 8.2 Ų | 8.2 | 4% | 0.037 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.2 | -173 | -58.5 | -16.7 | 0 | 0 | 0 | 110.8 | S2130 V2132 D2283 Y2287 | S2130-N2285 WeakPolarHBondContact OG-CA 3.4Å; S2130-N2285 VanDerWaalsContact OG-CG 3.27Å; S2130-N2285 PolarHBondContact OG-OD1 3.31Å; V2132-N2285 HydrophobicContact CG2-CB 4.16Å; D2283-N2285 VanDerWaalsContact C-N 3.26Å; D2283-N2285 PolarHBondContact O-N 3.25Å; N2285-Y2287 HydrophobicContact CB-CD2 4.44Å; N2285-Y2287 HydrophobicContact CB-CE2 3.91Å |
| 2286 | Y | 88.4 | Confident | 87.5 | Confident | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.008 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134 | 174.3 | 178.8 | -105.9 | 0 | 0 | 0 | 112 | F1651 S2130 I2131 V2132 P2288 F2292 | F1651-Y2286 HydrophobicContact CB-CD1 4.43Å; F1651-Y2286 HydrophobicContact CB-CE1 3.98Å; F1651-Y2286 HydrophobicContact CB-CE2 4.5Å; F1651-Y2286 AromaticContact CD1-CD1 3.82Å; F1651-Y2286 HydrophobicContact CD1-CD1 3.82Å; F1651-Y2286 AromaticContact CD1-CD2 3.94Å; F1651-Y2286 HydrophobicContact CD1-CD2 3.94Å; F1651-Y2286 HydrophobicContact CD1-CE1 4.2Å; F1651-Y2286 HydrophobicContact CD1-CE2 4.34Å; F1651-Y2286 AromaticContact CD1-CG 3.68Å; F1651-Y2286 HydrophobicContact CD1-CG 3.68Å; F1651-Y2286 AromaticContact CD2-CD2 3.74Å; F1651-Y2286 HydrophobicContact CD2-CD2 3.74Å; F1651-Y2286 HydrophobicContact CD2-CE1 4.43Å; F1651-Y2286 AromaticContact CD2-CE2 3.52Å; F1651-Y2286 HydrophobicContact CD2-CE2 3.52Å; F1651-Y2286 HydrophobicContact CD2-CG 4.31Å; F1651-Y2286 AromaticContact CD2-CZ 3.9Å; F1651-Y2286 HydrophobicContact CE1-CD1 4.21Å; F1651-Y2286 AromaticContact CE1-CD2 3.75Å; F1651-Y2286 HydrophobicContact CE1-CD2 3.75Å; F1651-Y2286 HydrophobicContact CE1-CE2 4.48Å; F1651-Y2286 AromaticContact CE1-CG 3.6Å; F1651-Y2286 HydrophobicContact CE1-CG 3.6Å; F1651-Y2286 AromaticContact CE2-CD2 3.53Å; F1651-Y2286 HydrophobicContact CE2-CD2 3.53Å; F1651-Y2286 AromaticContact CE2-CE2 3.69Å; F1651-Y2286 HydrophobicContact CE2-CE2 3.69Å; F1651-Y2286 HydrophobicContact CE2-CG 4.24Å; F1651-Y2286 HydrophobicContact CG-CD1 4.05Å; F1651-Y2286 AromaticContact CG-CD2 3.93Å; F1651-Y2286 HydrophobicContact CG-CD2 3.93Å; F1651-Y2286 AromaticContact CG-CE1 3.95Å; F1651-Y2286 HydrophobicContact CG-CE1 3.95Å; F1651-Y2286 AromaticContact CG-CE2 3.86Å; F1651-Y2286 HydrophobicContact CG-CE2 3.86Å; F1651-Y2286 HydrophobicContact CG-CG 4.04Å; F1651-Y2286 AromaticContact CG-CZ 3.87Å; F1651-Y2286 AromaticContact CZ-CD2 3.52Å; F1651-Y2286 HydrophobicContact CZ-CD2 3.52Å; F1651-Y2286 HydrophobicContact CZ-CE2 4.18Å; F1651-Y2286 AromaticContact CZ-CG 3.89Å; F1651-Y2286 HydrophobicContact CZ-CG 3.89Å; S2130-Y2286 PolarHBondContact O-N 3.22Å; I2131-Y2286 HydrophobicContact CG1-CD1 4.45Å; V2132-Y2286 PolarHBondContact N-O 3.27Å; V2132-Y2286 VanDerWaalsContact N-O 3.1Å; Y2286-P2288 HydrophobicContact CE1-CG 3.99Å; Y2286-F2292 HydrophobicContact CD2-CB 3.85Å; Y2286-F2292 AromaticContact CD2-CD2 3.87Å; Y2286-F2292 HydrophobicContact CD2-CD2 3.87Å; Y2286-F2292 HydrophobicContact CD2-CG 4.02Å; Y2286-F2292 HydrophobicContact CE2-CB 4.07Å |
| 2287 | Y | 82.6 | Confident | 87.8 | Confident | 6 Ų | 6 | 8.2 Ų | 8.2 | 2% | 0.024 | 5% | 0.045 | C | C | . | . | trans | -129.5 | 124.5 | 175 | -71.4 | -100.5 | 0 | 0 | 0 | 109.9 | V2132 Y2134 D2231 N2285 T2289 C2290 C2491 | V2132-Y2287 HydrophobicContact CB-CD1 4.01Å; V2132-Y2287 HydrophobicContact CB-CD2 4.49Å; V2132-Y2287 HydrophobicContact CB-CE1 3.57Å; V2132-Y2287 HydrophobicContact CB-CE2 4.09Å; V2132-Y2287 HydrophobicContact CB-CG 4.47Å; V2132-Y2287 HydrophobicContact CG1-CD1 4.28Å; V2132-Y2287 HydrophobicContact CG1-CE1 3.5Å; V2132-Y2287 VanDerWaalsContact CG1-CE1 3.5Å; V2132-Y2287 HydrophobicContact CG2-CD2 4.47Å; V2132-Y2287 HydrophobicContact CG2-CE1 4.1Å; V2132-Y2287 HydrophobicContact CG2-CE2 3.79Å; Y2134-Y2287 AromaticContact CE2-CD1 3.84Å; Y2134-Y2287 HydrophobicContact CE2-CD1 3.84Å; Y2134-Y2287 HydrophobicContact CE2-CE1 4Å; Y2134-Y2287 AromaticContact CZ-CE1 3.95Å; Y2134-Y2287 WeakPolarHBondContact OH-CE1 3.29Å; D2231-Y2287 PolarHBondContact O-OH 2.99Å; N2285-Y2287 HydrophobicContact CB-CD2 4.44Å; N2285-Y2287 HydrophobicContact CB-CE2 3.91Å; Y2287-T2289 PolarHBondContact O-N 3.38Å; Y2287-C2290 PolarHBondContact O-N 2.86Å; Y2287-C2491 HydrophobicContact CD2-CB 3.57Å; Y2287-C2491 HydrophobicContact CE2-CB 3.79Å; Y2287-C2491 WeakPolarHBondContact CE2-O 3.48Å | ||
| 2288 | P | 82 | Confident | 88 | Confident | 7 Ų | 7 | 8.2 Ų | 8.2 | 5% | 0.045 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -12.7 | 179 | -26.6 | 35.4 | 0 | 0 | 0 | 115.8 | R1644 T1647 C1648 Y2286 | R1644-P2288 HydrophobicContact CB-CG 4.44Å; R1644-P2288 HydrophobicContact CG-CB 4.32Å; T1647-P2288 HydrophobicContact CG2-CB 4.34Å; C1648-P2288 VanDerWaalsContact SG-CG 3.59Å; Y2286-P2288 HydrophobicContact CE1-CG 3.99Å |
| 2289 | T | 78.7 | Confident | 87.8 | Confident | 30 Ų | 30 | 8.2 Ų | 8.2 | 18% | 0.184 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 7.7 | -177 | 51 | 0 | 0 | 0 | 0 | 114 | Y2287 | Y2287-T2289 PolarHBondContact O-N 3.38Š|
| 2290 | C | 84.3 | Confident | 87.7 | Confident | 14 Ų | 14 | 7.4 Ų | 7.4 | 10% | 0.095 | 4% | 0.041 | C | C | . | . | B | Isolated β-bridge | trans | -125.9 | 168.9 | 173.1 | -61.9 | 0 | 0 | 0 | 0 | 110 | Y2287 I2487 S2490 | Y2287-C2290 PolarHBondContact O-N 2.86Å; C2290-I2487 VanDerWaalsContact C-CG2 3.47Å; C2290-S2490 WeakPolarHBondContact CB-O 3.12Å; C2290-S2490 PolarHBondContact SG-O 3.38Å |
| 2291 | A | 89.2 | Confident | 87.4 | Confident | 3 Ų | 3 | 7.4 Ų | 7.4 | 3% | 0.025 | 4% | 0.041 | C | C | . | . | trans | -74.2 | 147.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1604 I1606 N2488 V2519 | F1604-A2291 HydrophobicContact CB-CB 4.44Å; F1604-A2291 HydrophobicContact CD1-CB 4.27Å; F1604-A2291 HydrophobicContact CD2-CB 4.06Å; F1604-A2291 HydrophobicContact CE2-CB 4.4Å; F1604-A2291 HydrophobicContact CG-CB 4.03Å; I1606-A2291 HydrophobicContact CG2-CB 3.83Å; A2291-N2488 PolarHBondContact N-O 2.81Å; A2291-V2519 HydrophobicContact CB-CG1 4.12Å | ||
| 2292 | F | 91.3 | Very high | 87.2 | Confident | 2 Ų | 2 | 6.6 Ų | 6.6 | 1% | 0.009 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122.9 | 170 | -179.7 | -94.6 | 0 | 0 | 0 | 109.5 | F1604 V1605 F1651 I2129 Y2282 D2283 Y2286 I2294 | F1604-F2292 WeakPolarHBondContact CA-O 3.31Å; V1605-F2292 HydrophobicContact CB-CB 4.3Å; V1605-F2292 HydrophobicContact CB-CD1 4.49Å; V1605-F2292 HydrophobicContact CG2-CD1 4.42Å; V1605-F2292 PolarHBondContact N-O 2.94Å; V1605-F2292 PolarHBondContact O-N 2.89Å; F1651-F2292 HydrophobicContact CE2-CB 4.23Å; F1651-F2292 AromaticContact CE2-CD1 3.65Å; F1651-F2292 HydrophobicContact CE2-CD1 3.65Å; F1651-F2292 HydrophobicContact CE2-CD2 4.33Å; F1651-F2292 HydrophobicContact CE2-CE1 4.07Å; F1651-F2292 AromaticContact CE2-CG 3.8Å; F1651-F2292 HydrophobicContact CE2-CG 3.8Å; F1651-F2292 AromaticContact CZ-CD1 3.7Å; F1651-F2292 HydrophobicContact CZ-CD1 3.7Å; F1651-F2292 AromaticContact CZ-CD2 3.86Å; F1651-F2292 HydrophobicContact CZ-CD2 3.86Å; F1651-F2292 AromaticContact CZ-CE1 3.7Å; F1651-F2292 HydrophobicContact CZ-CE1 3.7Å; F1651-F2292 AromaticContact CZ-CE2 3.86Å; F1651-F2292 HydrophobicContact CZ-CE2 3.86Å; F1651-F2292 AromaticContact CZ-CG 3.77Å; F1651-F2292 HydrophobicContact CZ-CG 3.77Å; F1651-F2292 AromaticContact CZ-CZ 3.79Å; F1651-F2292 HydrophobicContact CZ-CZ 3.79Å; I2129-F2292 HydrophobicContact CD1-CE1 4.23Å; I2129-F2292 HydrophobicContact CD1-CE2 4.23Å; I2129-F2292 HydrophobicContact CD1-CZ 3.51Å; I2129-F2292 HydrophobicContact CG1-CE2 4.33Å; I2129-F2292 HydrophobicContact CG1-CZ 3.95Å; I2129-F2292 HydrophobicContact CG2-CE2 3.87Å; I2129-F2292 HydrophobicContact CG2-CZ 4.29Å; Y2282-F2292 HydrophobicContact CD2-CZ 4.44Å; D2283-F2292 HydrophobicContact CB-CD2 4.28Å; D2283-F2292 HydrophobicContact CB-CE2 4.07Å; D2283-F2292 WeakPolarHBondContact O-CE2 3.44Å; Y2286-F2292 HydrophobicContact CD2-CB 3.85Å; Y2286-F2292 AromaticContact CD2-CD2 3.87Å; Y2286-F2292 HydrophobicContact CD2-CD2 3.87Å; Y2286-F2292 HydrophobicContact CD2-CG 4.02Å; Y2286-F2292 HydrophobicContact CE2-CB 4.07Å; F2292-I2294 HydrophobicContact CD1-CD1 4.28Å; F2292-I2294 HydrophobicContact CD1-CG1 3.98Å; F2292-I2294 HydrophobicContact CE1-CD1 3.98Å; F2292-I2294 HydrophobicContact CE1-CG1 3.62Å |
| 2293 | S | 90.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.3 | -175 | -169.6 | 0 | 0 | 0 | 0 | 112.8 | R1602 F1603 R2259 Y2282 D2283 | R1602-S2293 PolarHBondContact NE-OG 3.02Å; R1602-S2293 PolarHBondContact NH2-OG 3.49Å; F1603-S2293 WeakPolarHBondContact O-CA 3.43Å; R2259-S2293 PolarHBondContact NH2-OG 3.03Å; Y2282-S2293 WeakPolarHBondContact CA-O 3.37Å; D2283-S2293 PolarHBondContact N-O 2.83Å; D2283-S2293 WeakPolarHBondContact OD2-CA 3.43Å; D2283-S2293 WeakPolarHBondContact OD2-CB 3.31Å; D2283-S2293 PolarHBondContact OD2-N 2.94Å |
| 2294 | I | 92.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 6.7 Ų | 6.7 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.3 | 169.9 | -62.3 | 172.5 | 0 | 0 | 0 | 107.6 | R1602 F1603 V1605 F1654 I1658 V2281 F2292 W2313 F2324 | R1602-I2294 CarbonylContact C-O 3.41Å; R1602-I2294 WeakPolarHBondContact CA-O 3.45Å; F1603-I2294 PolarHBondContact N-O 2.99Å; F1603-I2294 PolarHBondContact O-N 2.98Å; V1605-I2294 HydrophobicContact CG2-CD1 4.08Å; F1654-I2294 HydrophobicContact CE1-CD1 3.83Å; F1654-I2294 HydrophobicContact CZ-CD1 4.08Å; I1658-I2294 HydrophobicContact CD1-CD1 3.89Å; V2281-I2294 CarbonylContact O-C 3.53Å; F2292-I2294 HydrophobicContact CD1-CD1 4.28Å; F2292-I2294 HydrophobicContact CD1-CG1 3.98Å; F2292-I2294 HydrophobicContact CE1-CD1 3.98Å; F2292-I2294 HydrophobicContact CE1-CG1 3.62Å; I2294-W2313 HydrophobicContact CG2-CZ3 4.08Å; I2294-F2324 HydrophobicContact CD1-CE2 4.45Å |
| 2295 | E | 91.1 | Very high | 86.5 | Confident | 14 Ų | 14 | 8.2 Ų | 8.2 | 7% | 0.065 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 112.8 | 175.7 | -173.6 | -178.7 | 142.4 | 0 | 0 | 109.4 | R1600 R1602 R2259 V2281 Q2297 | R1600-E2295 HydrophobicContact CB-CG 4.4Å; R1600-E2295 VanDerWaalsContact CD-OE1 3.25Å; R1600-E2295 WeakPolarHBondContact CD-OE1 3.31Å; R1600-E2295 IonicContact NH1-OE1 3.87Å; R1602-E2295 HydrophobicContact CB-CG 4.36Å; R2259-E2295 IonicContact NH1-OE2 3.44Å; V2281-E2295 HydrophobicContact CB-CB 4.36Å; V2281-E2295 PolarHBondContact N-O 3.17Å; V2281-E2295 PolarHBondContact O-N 3.2Å; E2295-Q2297 HydrophobicContact CG-CG 4.12Å; E2295-Q2297 PolarHBondContact OE1-NE2 2.83Å |
| 2296 | L | 92.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.2 | 174.8 | -75.4 | 164.1 | 0 | 0 | 0 | 108.7 | R1600 S1601 F1603 C2280 W2298 M2306 V2310 W2313 | R1600-L2296 CarbonylContact C-O 3.58Å; R1600-L2296 WeakPolarHBondContact CA-O 3.46Å; S1601-L2296 PolarHBondContact N-O 3.15Å; S1601-L2296 PolarHBondContact O-N 3.25Å; F1603-L2296 HydrophobicContact CE2-CD1 4.01Å; C2280-L2296 HydrophobicContact CB-CD2 4.2Å; L2296-W2298 HydrophobicContact CB-CE3 4.42Å; L2296-W2298 HydrophobicContact CB-CZ3 4.35Å; L2296-W2298 WeakPolarHBondContact O-CZ3 3.41Å; L2296-M2306 HydrophobicContact CB-SD 4.44Å; L2296-M2306 HydrophobicContact CD1-SD 3.84Å; L2296-M2306 HydrophobicContact CD2-SD 4.23Å; L2296-M2306 HydrophobicContact CG-SD 4.4Å; L2296-V2310 HydrophobicContact CD1-CG2 3.6Å; L2296-W2313 HydrophobicContact CD1-CE3 4.38Å; L2296-W2313 HydrophobicContact CD1-CZ3 3.86Å; L2296-W2313 HydrophobicContact CD2-CH2 3.82Å; L2296-W2313 HydrophobicContact CD2-CZ3 3.87Å; L2296-W2313 HydrophobicContact CG-CZ3 4.05Å |
| 2297 | Q | 91 | Very high | 86.6 | Confident | 28 Ų | 28 | 8.7 Ų | 8.7 | 13% | 0.131 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.3 | -178 | -59.8 | -174.1 | -14.6 | 0 | 0 | 110 | L1592 F1598 W1599 R1600 H2279 V2281 E2295 | L1592-Q2297 HydrophobicContact CD1-CB 3.84Å; F1598-Q2297 HydrophobicContact CD2-CB 3.9Å; F1598-Q2297 HydrophobicContact CD2-CG 4.2Å; F1598-Q2297 HydrophobicContact CE2-CB 3.91Å; F1598-Q2297 VanDerWaalsContact CE2-CD 3.48Å; F1598-Q2297 HydrophobicContact CE2-CG 3.71Å; W1599-Q2297 CarbonylContact O-C 3.56Å; W1599-Q2297 VanDerWaalsContact O-CA 3.29Å; W1599-Q2297 WeakPolarHBondContact O-CA 3.45Å; R1600-Q2297 HydrophobicContact CB-CG 4.23Å; H2279-Q2297 HydrophobicContact CB-CB 4.46Å; H2279-Q2297 PolarHBondContact N-O 3.46Å; H2279-Q2297 PolarHBondContact O-N 3.26Å; V2281-Q2297 HydrophobicContact CG2-CG 4.25Å; E2295-Q2297 HydrophobicContact CG-CG 4.12Å; E2295-Q2297 PolarHBondContact OE1-NE2 2.83Å |
| 2298 | W | 90.3 | Very high | 86.7 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 160.4 | -174.9 | 72.5 | 97.6 | 0 | 0 | 0 | 115 | R331 F333 W1599 A2278 L2296 V2301 M2306 | R331-W2298 HydrophobicContact CB-CH2 3.99Å; R331-W2298 HydrophobicContact CB-CZ2 4.36Å; R331-W2298 HydrophobicContact CG-CH2 4.16Å; R331-W2298 HydrophobicContact CG-CZ2 4.06Å; F333-W2298 AromaticContact CE1-CH2 3.37Å; F333-W2298 HydrophobicContact CE1-CH2 3.37Å; F333-W2298 AromaticContact CE1-CZ2 3.57Å; F333-W2298 HydrophobicContact CE1-CZ2 3.57Å; F333-W2298 HydrophobicContact CE1-CZ3 4.21Å; F333-W2298 HydrophobicContact CE2-CH2 4.47Å; F333-W2298 AromaticContact CZ-CH2 3.31Å; F333-W2298 HydrophobicContact CZ-CH2 3.31Å; F333-W2298 HydrophobicContact CZ-CZ2 4.02Å; F333-W2298 AromaticContact CZ-CZ3 3.85Å; F333-W2298 HydrophobicContact CZ-CZ3 3.85Å; W1599-W2298 HydrophobicContact CB-CD2 3.62Å; W1599-W2298 HydrophobicContact CB-CE3 4.04Å; W1599-W2298 HydrophobicContact CB-CG 4.17Å; W1599-W2298 HydrophobicContact CB-CH2 3.89Å; W1599-W2298 HydrophobicContact CB-CZ2 3.47Å; W1599-W2298 VanDerWaalsContact CB-CZ2 3.47Å; W1599-W2298 HydrophobicContact CB-CZ3 4.15Å; W1599-W2298 AromaticContact CG-CE2 3.96Å; W1599-W2298 HydrophobicContact CG-CZ2 4.06Å; W1599-W2298 AromaticContact CG-NE1 3.93Å; W1599-W2298 PolarHBondContact N-O 2.8Å; W1599-W2298 PolarHBondContact O-N 2.86Å; A2278-W2298 HydrophobicContact CB-CB 3.74Å; L2296-W2298 HydrophobicContact CB-CE3 4.42Å; L2296-W2298 HydrophobicContact CB-CZ3 4.35Å; L2296-W2298 WeakPolarHBondContact O-CZ3 3.41Å; W2298-V2301 HydrophobicContact CB-CG2 3.84Å; W2298-V2301 HydrophobicContact CG-CB 4.34Å; W2298-V2301 HydrophobicContact CG-CG2 4.15Å; W2298-M2306 HydrophobicContact CE3-CG 4.46Å; W2298-M2306 HydrophobicContact CH2-CG 4.49Å; W2298-M2306 HydrophobicContact CZ3-CG 4.46Å |
| 2299 | L | 86.1 | Confident | 87 | Confident | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | -42.6 | 168.6 | -79.9 | 168.6 | 0 | 0 | 0 | 111.1 | Q1263 L1577 Y1580 L1592 F1598 W1599 V2301 | Q1263-L2299 PolarHBondContact NE2-O 2.82Å; L1577-L2299 HydrophobicContact CD1-CD1 3.66Å; Y1580-L2299 HydrophobicContact CE1-CD1 4.12Å; L1592-L2299 HydrophobicContact CD2-CD1 3.67Å; L1592-L2299 HydrophobicContact CD2-CG 4.35Å; F1598-L2299 HydrophobicContact CB-CD1 4.29Å; F1598-L2299 HydrophobicContact CB-CD2 4.05Å; F1598-L2299 HydrophobicContact CB-CG 3.79Å; W1599-L2299 HydrophobicContact CE3-CD2 4.35Å; W1599-L2299 HydrophobicContact CZ3-CD2 3.95Å; L2299-V2301 PolarHBondContact O-N 3.21Å |
| 2300 | V | 85.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 62.1 | -169.4 | -169.6 | 0 | 0 | 0 | 0 | 110.7 | E1259 L1581 E2276 W2277 | E1259-V2300 HydrophobicContact CG-CG1 4.18Å; E1259-V2300 HydrophobicContact CG-CG2 4.32Å; E1259-V2300 WeakPolarHBondContact OE1-CG1 3.48Å; E1259-V2300 WeakPolarHBondContact OE1-CG2 3.37Å; E1259-V2300 WeakPolarHBondContact OE2-CG1 3.42Å; L1581-V2300 HydrophobicContact CD2-CG2 3.49Å; L1581-V2300 VanDerWaalsContact CD2-CG2 3.49Å; E2276-V2300 CarbonylContact C-O 3.5Å; E2276-V2300 WeakPolarHBondContact CA-O 3.49Å; E2276-V2300 VanDerWaalsContact CB-O 3.27Å; E2276-V2300 WeakPolarHBondContact CB-O 3.43Å; W2277-V2300 HydrophobicContact CD2-CB 4.04Å; W2277-V2300 HydrophobicContact CD2-CG1 4.44Å; W2277-V2300 HydrophobicContact CD2-CG2 4.46Å; W2277-V2300 HydrophobicContact CE3-CB 3.9Å; W2277-V2300 HydrophobicContact CE3-CG1 3.79Å; W2277-V2300 HydrophobicContact CE3-CG2 4.49Å; W2277-V2300 HydrophobicContact CH2-CB 3.96Å; W2277-V2300 HydrophobicContact CH2-CG1 3.86Å; W2277-V2300 HydrophobicContact CH2-CG2 3.68Å; W2277-V2300 HydrophobicContact CZ2-CB 4.07Å; W2277-V2300 HydrophobicContact CZ2-CG1 4.47Å; W2277-V2300 HydrophobicContact CZ2-CG2 3.61Å; W2277-V2300 HydrophobicContact CZ3-CB 3.87Å; W2277-V2300 HydrophobicContact CZ3-CG1 3.47Å; W2277-V2300 VanDerWaalsContact CZ3-CG1 3.47Å; W2277-V2300 HydrophobicContact CZ3-CG2 4.13Å; W2277-V2300 PolarHBondContact N-O 3.38Å |
| 2301 | V | 85.9 | Confident | 87.8 | Confident | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.018 | 7% | 0.07 | C | C | . | . | trans | -148.1 | 135.6 | -180 | -166.6 | 0 | 0 | 0 | 0 | 112 | L2266 E2276 W2277 A2278 W2298 L2299 R2305 M2306 | L2266-V2301 HydrophobicContact CD1-CG1 4.14Å; L2266-V2301 HydrophobicContact CD1-CG2 3.9Å; L2266-V2301 HydrophobicContact CD2-CG1 4.07Å; E2276-V2301 HydrophobicContact CB-CG1 4.49Å; W2277-V2301 WeakPolarHBondContact O-CG2 3.34Å; A2278-V2301 HydrophobicContact CB-CG2 4.24Å; W2298-V2301 HydrophobicContact CB-CG2 3.84Å; W2298-V2301 HydrophobicContact CG-CB 4.34Å; W2298-V2301 HydrophobicContact CG-CG2 4.15Å; L2299-V2301 PolarHBondContact O-N 3.21Å; V2301-R2305 HydrophobicContact CG1-CB 4.08Å; V2301-M2306 HydrophobicContact CG1-CB 4.22Å; V2301-M2306 HydrophobicContact CG1-CE 4.21Å; V2301-M2306 HydrophobicContact CG2-CE 4.22Å | ||
| 2302 | T | 84.5 | Confident | 87.8 | Confident | 4 Ų | 4 | 16.4 Ų | 16.4 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | trans | -69.2 | 132.3 | 167.3 | -83.5 | 0 | 0 | 0 | 0 | 110.8 | D114 T138 E2276 G2304 R2305 | D114-T2302 WeakPolarHBondContact OD1-CA 3.22Å; D114-T2302 WeakPolarHBondContact OD1-CB 3.33Å; D114-T2302 WeakPolarHBondContact OD1-CG2 3.49Å; D114-T2302 PolarHBondContact OD1-OG1 3.09Å; T138-T2302 HydrophobicContact CG2-CG2 3.79Å; E2276-T2302 PolarHBondContact OE1-N 3.31Å; E2276-T2302 VanDerWaalsContact OE1-N 3.09Å; E2276-T2302 WeakPolarHBondContact OE2-CB 3.07Å; E2276-T2302 PolarHBondContact OE2-N 3.24Å; T2302-G2304 PolarHBondContact O-N 2.96Å; T2302-R2305 PolarHBondContact O-N 2.94Å | ||
| 2303 | G | 81.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54 | -30.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D114 A2307 | D114-G2303 PolarHBondContact OD2-N 2.98Å; G2303-A2307 WeakPolarHBondContact O-CB 3.17Å; G2303-A2307 PolarHBondContact O-N 3.11Å; G2303-A2307 VanDerWaalsContact O-N 3.14Å |
| 2304 | G | 81 | Confident | 87.8 | Confident | 16 Ų | 16 | 20.5 Ų | 20.5 | 17% | 0.165 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.3 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T2302 A2307 E2308 | T2302-G2304 PolarHBondContact O-N 2.96Å; G2304-A2307 WeakPolarHBondContact O-CB 3.4Å; G2304-A2307 PolarHBondContact O-N 3.21Å; G2304-E2308 PolarHBondContact O-N 3.38Å |
| 2305 | R | 83.9 | Confident | 87.6 | Confident | 32 Ų | 32 | 26.7 Ų | 26.7 | 12% | 0.121 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.4 | -45.2 | 179.5 | -80.3 | -70.1 | -168.7 | -145.5 | -10.5 | 111.4 | E137 L2266 V2301 T2302 A2307 E2308 L2309 | E137-R2305 IonicContact OE1-CZ 2.94Å; E137-R2305 VanDerWaalsContact OE1-CZ 3.24Å; E137-R2305 IonicContact OE1-NH1 2.73Å; E137-R2305 PolarHBondContact OE1-NH1 3.25Å; E137-R2305 IonicContact OE1-NH2 3.01Å; E137-R2305 PolarHBondContact OE1-NH2 3.25Å; E137-R2305 VanDerWaalsContact OE1-NH2 3.12Å; E137-R2305 IonicContact OE2-CZ 2.76Å; E137-R2305 IonicContact OE2-NE 3.95Å; E137-R2305 IonicContact OE2-NH1 3.13Å; E137-R2305 PolarHBondContact OE2-NH1 3.5Å; E137-R2305 IonicContact OE2-NH2 3.33Å; L2266-R2305 HydrophobicContact CB-CB 4.47Å; L2266-R2305 HydrophobicContact CD2-CB 4.01Å; V2301-R2305 HydrophobicContact CG1-CB 4.08Å; T2302-R2305 PolarHBondContact O-N 2.94Å; R2305-A2307 VanDerWaalsContact C-N 3.33Å; R2305-A2307 PolarHBondContact O-N 3.2Å; R2305-E2308 IonicContact NH1-OE2 2.77Å; R2305-E2308 PolarHBondContact O-N 3.33Å; R2305-L2309 PolarHBondContact O-N 2.71Å |
| 2306 | M | 87.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -37.7 | 176.5 | -167.6 | 54.8 | 62.3 | 0 | 0 | 111.8 | F333 L2266 A2278 L2296 W2298 V2301 E2308 L2309 V2310 | F333-M2306 HydrophobicContact CD1-CB 4.27Å; F333-M2306 HydrophobicContact CD1-CG 4.18Å; F333-M2306 HydrophobicContact CE1-CB 3.75Å; F333-M2306 HydrophobicContact CE1-CG 3.26Å; F333-M2306 HydrophobicContact CZ-CG 3.62Å; L2266-M2306 HydrophobicContact CD1-CE 3.75Å; L2266-M2306 HydrophobicContact CD2-CE 3.75Å; L2266-M2306 HydrophobicContact CD2-SD 4.41Å; L2266-M2306 HydrophobicContact CG-CE 4.4Å; A2278-M2306 HydrophobicContact CB-CE 3.41Å; A2278-M2306 VanDerWaalsContact CB-CE 3.41Å; L2296-M2306 HydrophobicContact CB-SD 4.44Å; L2296-M2306 HydrophobicContact CD1-SD 3.84Å; L2296-M2306 HydrophobicContact CD2-SD 4.23Å; L2296-M2306 HydrophobicContact CG-SD 4.4Å; W2298-M2306 HydrophobicContact CE3-CG 4.46Å; W2298-M2306 HydrophobicContact CH2-CG 4.49Å; W2298-M2306 HydrophobicContact CZ3-CG 4.46Å; V2301-M2306 HydrophobicContact CG1-CB 4.22Å; V2301-M2306 HydrophobicContact CG1-CE 4.21Å; V2301-M2306 HydrophobicContact CG2-CE 4.22Å; M2306-E2308 VanDerWaalsContact C-N 3.29Å; M2306-E2308 PolarHBondContact O-N 3.49Å; M2306-L2309 HydrophobicContact CE-CD2 4.48Å; M2306-L2309 PolarHBondContact O-N 3.38Å; M2306-L2309 HydrophobicContact SD-CD2 4.01Å; M2306-V2310 WeakPolarHBondContact O-CB 3.46Å; M2306-V2310 VanDerWaalsContact O-CG2 3.31Å; M2306-V2310 WeakPolarHBondContact O-CG2 3.31Å; M2306-V2310 PolarHBondContact O-N 3.01Å |
| 2307 | A | 86.8 | Confident | 87.5 | Confident | 19 Ų | 19 | 30 Ų | 30 | 16% | 0.157 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -33.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F333 G2303 G2304 R2305 S2311 | F333-A2307 HydrophobicContact CB-CB 3.9Å; F333-A2307 HydrophobicContact CD1-CB 4.45Å; F333-A2307 HydrophobicContact CG-CB 4.41Å; G2303-A2307 WeakPolarHBondContact O-CB 3.17Å; G2303-A2307 PolarHBondContact O-N 3.11Å; G2303-A2307 VanDerWaalsContact O-N 3.14Å; G2304-A2307 WeakPolarHBondContact O-CB 3.4Å; G2304-A2307 PolarHBondContact O-N 3.21Å; R2305-A2307 VanDerWaalsContact C-N 3.33Å; R2305-A2307 PolarHBondContact O-N 3.2Å; A2307-S2311 VanDerWaalsContact O-CB 3.28Å; A2307-S2311 WeakPolarHBondContact O-CB 3.3Å; A2307-S2311 PolarHBondContact O-N 3.48Å; A2307-S2311 VanDerWaalsContact O-N 3.13Å; A2307-S2311 PolarHBondContact O-OG 3.46Å |
| 2308 | E | 85.2 | Confident | 87.2 | Confident | 106 Ų | 106 | 30.6 Ų | 30.6 | 50% | 0.495 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -70.9 | -48.5 | 174.3 | -176.1 | 169.7 | -122.2 | 0 | 0 | 111.8 | G2304 R2305 M2306 V2310 S2311 L2312 | G2304-E2308 PolarHBondContact O-N 3.38Å; R2305-E2308 IonicContact NH1-OE2 2.77Å; R2305-E2308 PolarHBondContact O-N 3.33Å; M2306-E2308 VanDerWaalsContact C-N 3.29Å; M2306-E2308 PolarHBondContact O-N 3.49Å; E2308-V2310 VanDerWaalsContact C-N 3.35Å; E2308-V2310 PolarHBondContact O-N 3.13Å; E2308-S2311 CarbonylContact O-C 3.54Å; E2308-S2311 WeakPolarHBondContact O-CA 3.47Å; E2308-S2311 WeakPolarHBondContact O-CB 3.4Å; E2308-S2311 PolarHBondContact O-N 2.79Å; E2308-L2312 PolarHBondContact O-N 2.95Å |
| 2309 | L | 89.1 | Confident | 87 | Confident | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.4 | -49.7 | 176.7 | -176.4 | 67.4 | 0 | 0 | 0 | 111.6 | L2266 R2305 M2306 S2311 L2312 W2313 | L2266-L2309 HydrophobicContact CD2-CB 4.2Å; L2266-L2309 HydrophobicContact CD2-CD2 4.04Å; R2305-L2309 PolarHBondContact O-N 2.71Å; M2306-L2309 HydrophobicContact CE-CD2 4.48Å; M2306-L2309 PolarHBondContact O-N 3.38Å; M2306-L2309 HydrophobicContact SD-CD2 4.01Å; L2309-S2311 VanDerWaalsContact C-N 3.28Å; L2309-S2311 PolarHBondContact O-N 3.21Å; L2309-L2312 WeakPolarHBondContact O-CB 3.33Å; L2309-L2312 PolarHBondContact O-N 3.15Å; L2309-W2313 HydrophobicContact CD1-CZ2 3.94Å; L2309-W2313 HydrophobicContact CD2-CH2 4.25Å; L2309-W2313 HydrophobicContact CD2-CZ2 3.95Å; L2309-W2313 HydrophobicContact CG-CD2 4.37Å; L2309-W2313 HydrophobicContact CG-CZ2 3.97Å; L2309-W2313 PolarHBondContact O-N 3.49Å |
| 2310 | V | 90.9 | Very high | 87 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -35.8 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | F333 F1603 L2296 M2306 E2308 Y2314 F2324 W2612 | F333-V2310 HydrophobicContact CE2-CG2 4.09Å; F333-V2310 HydrophobicContact CZ-CG2 4.33Å; F1603-V2310 HydrophobicContact CE1-CG1 3.72Å; F1603-V2310 HydrophobicContact CE2-CG2 4.23Å; F1603-V2310 HydrophobicContact CZ-CB 4.42Å; F1603-V2310 HydrophobicContact CZ-CG1 3.63Å; F1603-V2310 HydrophobicContact CZ-CG2 3.82Å; L2296-V2310 HydrophobicContact CD1-CG2 3.6Å; M2306-V2310 WeakPolarHBondContact O-CB 3.46Å; M2306-V2310 VanDerWaalsContact O-CG2 3.31Å; M2306-V2310 WeakPolarHBondContact O-CG2 3.31Å; M2306-V2310 PolarHBondContact O-N 3.01Å; E2308-V2310 VanDerWaalsContact C-N 3.35Å; E2308-V2310 PolarHBondContact O-N 3.13Å; V2310-Y2314 WeakPolarHBondContact O-CB 3.34Å; V2310-Y2314 PolarHBondContact O-N 3.41Å; V2310-F2324 HydrophobicContact CG1-CE1 4.24Å; V2310-W2612 HydrophobicContact CG1-CH2 3.6Å; V2310-W2612 HydrophobicContact CG1-CZ2 3.78Å |
| 2311 | S | 87.9 | Confident | 87 | Confident | 20 Ų | 20 | 41 Ų | 41 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75 | -28.1 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 113.4 | A2307 E2308 L2309 Q2315 R2611 | A2307-S2311 VanDerWaalsContact O-CB 3.28Å; A2307-S2311 WeakPolarHBondContact O-CB 3.3Å; A2307-S2311 PolarHBondContact O-N 3.48Å; A2307-S2311 VanDerWaalsContact O-N 3.13Å; A2307-S2311 PolarHBondContact O-OG 3.46Å; E2308-S2311 CarbonylContact O-C 3.54Å; E2308-S2311 WeakPolarHBondContact O-CA 3.47Å; E2308-S2311 WeakPolarHBondContact O-CB 3.4Å; E2308-S2311 PolarHBondContact O-N 2.79Å; L2309-S2311 VanDerWaalsContact C-N 3.28Å; L2309-S2311 PolarHBondContact O-N 3.21Å; S2311-Q2315 WeakPolarHBondContact O-CG 3.49Å; S2311-Q2315 PolarHBondContact O-N 3.05Å; S2311-Q2315 PolarHBondContact O-NE2 3.25Å; S2311-R2611 PolarHBondContact OG-NH2 3.02Å |
| 2312 | L | 88.9 | Confident | 87.2 | Confident | 80 Ų | 80 | 41.1 Ų | 41.1 | 42% | 0.419 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.2 | -50 | 171.5 | -178.4 | 73.7 | 0 | 0 | 0 | 110.1 | E2308 L2309 Y2314 Q2315 K2316 | E2308-L2312 PolarHBondContact O-N 2.95Å; L2309-L2312 WeakPolarHBondContact O-CB 3.33Å; L2309-L2312 PolarHBondContact O-N 3.15Å; L2312-Y2314 VanDerWaalsContact C-N 3.35Å; L2312-Y2314 PolarHBondContact O-N 2.96Å; L2312-Q2315 PolarHBondContact O-N 3.37Å; L2312-K2316 WeakPolarHBondContact O-CG 3.33Å; L2312-K2316 PolarHBondContact O-N 3.09Å |
| 2313 | W | 92 | Very high | 87.3 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 178.6 | -67.9 | -1 | 0 | 0 | 0 | 112 | F1654 I1658 I2294 L2296 L2309 Q2315 K2316 A2317 F2324 | F1654-W2313 HydrophobicContact CE2-CB 4.2Å; I1658-W2313 HydrophobicContact CB-CZ2 4.22Å; I1658-W2313 HydrophobicContact CG1-CD2 4.12Å; I1658-W2313 HydrophobicContact CG1-CH2 4.48Å; I1658-W2313 HydrophobicContact CG1-CZ2 4.03Å; I1658-W2313 HydrophobicContact CG2-CH2 4.13Å; I1658-W2313 HydrophobicContact CG2-CZ2 3.74Å; I2294-W2313 HydrophobicContact CG2-CZ3 4.08Å; L2296-W2313 HydrophobicContact CD1-CE3 4.38Å; L2296-W2313 HydrophobicContact CD1-CZ3 3.86Å; L2296-W2313 HydrophobicContact CD2-CH2 3.82Å; L2296-W2313 HydrophobicContact CD2-CZ3 3.87Å; L2296-W2313 HydrophobicContact CG-CZ3 4.05Å; L2309-W2313 HydrophobicContact CD1-CZ2 3.94Å; L2309-W2313 HydrophobicContact CD2-CH2 4.25Å; L2309-W2313 HydrophobicContact CD2-CZ2 3.95Å; L2309-W2313 HydrophobicContact CG-CD2 4.37Å; L2309-W2313 HydrophobicContact CG-CZ2 3.97Å; L2309-W2313 PolarHBondContact O-N 3.49Å; W2313-Q2315 PolarHBondContact O-N 2.6Å; W2313-K2316 PolarHBondContact O-N 2.86Å; W2313-A2317 WeakPolarHBondContact O-CB 3.48Å; W2313-A2317 PolarHBondContact O-N 2.76Å; W2313-F2324 HydrophobicContact CB-CE1 4.18Å; W2313-F2324 HydrophobicContact CB-CZ 4.32Å; W2313-F2324 HydrophobicContact CE3-CZ 4.21Å |
| 2314 | Y | 90.1 | Very high | 87.8 | Confident | 85 Ų | 85 | 41.5 Ų | 41.5 | 33% | 0.333 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 172.7 | 177.4 | -111.1 | 0 | 0 | 0 | 113.2 | V2310 L2312 G2318 F2324 W2612 | V2310-Y2314 WeakPolarHBondContact O-CB 3.34Å; V2310-Y2314 PolarHBondContact O-N 3.41Å; L2312-Y2314 VanDerWaalsContact C-N 3.35Å; L2312-Y2314 PolarHBondContact O-N 2.96Å; Y2314-G2318 PolarHBondContact O-N 2.71Å; Y2314-F2324 HydrophobicContact CD2-CD1 4.36Å; Y2314-F2324 VanDerWaalsContact CD2-O 3.3Å; Y2314-F2324 WeakPolarHBondContact CD2-O 3.46Å; Y2314-W2612 AromaticContact CD2-CE3 3.85Å; Y2314-W2612 HydrophobicContact CD2-CE3 3.85Å; Y2314-W2612 AromaticContact CD2-CZ3 3.48Å; Y2314-W2612 HydrophobicContact CD2-CZ3 3.48Å; Y2314-W2612 VanDerWaalsContact CD2-CZ3 3.48Å; Y2314-W2612 AromaticContact CE2-CE3 3.94Å; Y2314-W2612 HydrophobicContact CE2-CE3 3.94Å; Y2314-W2612 HydrophobicContact CE2-CZ3 4.07Å; Y2314-W2612 HydrophobicContact CG-CE3 4.47Å; Y2314-W2612 AromaticContact CG-CZ3 3.93Å; Y2314-W2612 HydrophobicContact CG-CZ3 3.93Å |
| 2315 | Q | 88.9 | Confident | 88.2 | Confident | 131 Ų | 131 | 40.8 Ų | 40.8 | 61% | 0.612 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -65.3 | -39.5 | 176.8 | -75 | 172 | 66.9 | 0 | 0 | 111.9 | S2311 L2312 W2313 G2318 T2319 | S2311-Q2315 WeakPolarHBondContact O-CG 3.49Å; S2311-Q2315 PolarHBondContact O-N 3.05Å; S2311-Q2315 PolarHBondContact O-NE2 3.25Å; L2312-Q2315 PolarHBondContact O-N 3.37Å; W2313-Q2315 PolarHBondContact O-N 2.6Å; Q2315-G2318 PolarHBondContact O-N 2.69Å; Q2315-T2319 PolarHBondContact O-N 3.11Å; Q2315-T2319 PolarHBondContact O-OG1 2.82Å |
| 2316 | K | 90.9 | Very high | 88.6 | Confident | 84 Ų | 84 | 39.4 Ų | 39.4 | 37% | 0.365 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.3 | -44.7 | 179.6 | -74.1 | -66.5 | -158.3 | 133.7 | 0 | 112.8 | F1654 S1657 L2312 W2313 G2318 T2319 A2320 | F1654-K2316 HydrophobicContact CD2-CB 4.42Å; S1657-K2316 WeakPolarHBondContact OG-CD 3.48Å; S1657-K2316 WeakPolarHBondContact OG-CE 3.47Å; S1657-K2316 PolarHBondContact OG-NZ 3.24Å; L2312-K2316 WeakPolarHBondContact O-CG 3.33Å; L2312-K2316 PolarHBondContact O-N 3.09Å; W2313-K2316 PolarHBondContact O-N 2.86Å; K2316-G2318 VanDerWaalsContact C-N 3.31Å; K2316-G2318 PolarHBondContact O-N 2.83Å; K2316-T2319 WeakPolarHBondContact CA-OG1 3.25Å; K2316-T2319 PolarHBondContact O-N 3.15Å; K2316-T2319 PolarHBondContact O-OG1 3.1Å; K2316-A2320 PolarHBondContact O-N 3.06Å; K2316-A2320 VanDerWaalsContact O-N 3.08Å |
| 2317 | A | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F1654 W2313 T2319 A2320 N2321 L2322 F2324 | F1654-A2317 HydrophobicContact CD2-CB 3.89Å; F1654-A2317 HydrophobicContact CE2-CB 3.86Å; W2313-A2317 WeakPolarHBondContact O-CB 3.48Å; W2313-A2317 PolarHBondContact O-N 2.76Å; A2317-T2319 PolarHBondContact O-N 3.05Å; A2317-A2320 CarbonylContact O-C 3.6Å; A2317-A2320 WeakPolarHBondContact O-CA 2.96Å; A2317-A2320 WeakPolarHBondContact O-CB 3.14Å; A2317-A2320 PolarHBondContact O-N 3Å; A2317-N2321 PolarHBondContact O-N 3.41Å; A2317-L2322 CarbonylContact C-O 3.52Å; A2317-L2322 HydrophobicContact CB-CB 4.15Å; A2317-L2322 WeakPolarHBondContact CB-O 3.37Å; A2317-L2322 PolarHBondContact O-N 2.65Å; A2317-L2322 VanDerWaalsContact O-O 3.09Å; A2317-F2324 HydrophobicContact CB-CB 3.52Å |
| 2318 | G | 84.7 | Confident | 88.5 | Confident | 40 Ų | 40 | 38.5 Ų | 38.5 | 41% | 0.412 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y2314 Q2315 K2316 A2320 N2321 | Y2314-G2318 PolarHBondContact O-N 2.71Å; Q2315-G2318 PolarHBondContact O-N 2.69Å; K2316-G2318 VanDerWaalsContact C-N 3.31Å; K2316-G2318 PolarHBondContact O-N 2.83Å; G2318-A2320 PolarHBondContact O-N 3.45Å; G2318-N2321 PolarHBondContact O-N 3.05Å |
| 2319 | T | 86.6 | Confident | 88.1 | Confident | 115 Ų | 115 | 34.3 Ų | 34.3 | 71% | 0.706 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -69.1 | -19.6 | 173.5 | 49.9 | 0 | 0 | 0 | 0 | 114 | Q2315 K2316 A2317 | Q2315-T2319 PolarHBondContact O-N 3.11Å; Q2315-T2319 PolarHBondContact O-OG1 2.82Å; K2316-T2319 WeakPolarHBondContact CA-OG1 3.25Å; K2316-T2319 PolarHBondContact O-N 3.15Å; K2316-T2319 PolarHBondContact O-OG1 3.1Å; A2317-T2319 PolarHBondContact O-N 3.05Å |
| 2320 | A | 85.7 | Confident | 87.4 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 12.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1650 K2316 A2317 G2318 L2322 | K1650-A2320 HydrophobicContact CB-CB 4.18Å; K1650-A2320 VanDerWaalsContact CB-O 3.32Å; K1650-A2320 WeakPolarHBondContact CB-O 3.49Å; K1650-A2320 WeakPolarHBondContact CD-O 3.41Å; K2316-A2320 PolarHBondContact O-N 3.06Å; K2316-A2320 VanDerWaalsContact O-N 3.08Å; A2317-A2320 CarbonylContact O-C 3.6Å; A2317-A2320 WeakPolarHBondContact O-CA 2.96Å; A2317-A2320 WeakPolarHBondContact O-CB 3.14Å; A2317-A2320 PolarHBondContact O-N 3Å; G2318-A2320 PolarHBondContact O-N 3.45Å; A2320-L2322 HydrophobicContact CB-CD1 4.19Å; A2320-L2322 HydrophobicContact CB-CG 4.34Å; A2320-L2322 PolarHBondContact O-N 3.02Å |
| 2321 | N | 85.2 | Confident | 86.8 | Confident | 98 Ų | 98 | 37 Ų | 37 | 52% | 0.524 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 33.3 | -171.1 | -71.6 | 14.1 | 0 | 0 | 0 | 114 | I1608 K1650 A2317 G2318 | I1608-N2321 WeakPolarHBondContact CB-O 3.46Å; I1608-N2321 WeakPolarHBondContact CG1-O 3.24Å; I1608-N2321 PolarHBondContact N-O 2.66Å; K1650-N2321 HydrophobicContact CD-CB 4.39Å; A2317-N2321 PolarHBondContact O-N 3.41Å; G2318-N2321 PolarHBondContact O-N 3.05Å |
| 2322 | L | 89.4 | Confident | 86.2 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.5 | 174.9 | -67.4 | 171.9 | 0 | 0 | 0 | 109.9 | V1605 F1651 F1654 A2317 A2320 | V1605-L2322 HydrophobicContact CG1-CB 3.96Å; V1605-L2322 HydrophobicContact CG1-CD1 3.96Å; V1605-L2322 HydrophobicContact CG1-CD2 4.23Å; V1605-L2322 HydrophobicContact CG1-CG 4.27Å; F1651-L2322 HydrophobicContact CB-CD1 4.28Å; F1651-L2322 HydrophobicContact CD2-CD1 4.27Å; F1654-L2322 HydrophobicContact CB-CD1 4.11Å; A2317-L2322 CarbonylContact C-O 3.52Å; A2317-L2322 HydrophobicContact CB-CB 4.15Å; A2317-L2322 WeakPolarHBondContact CB-O 3.37Å; A2317-L2322 PolarHBondContact O-N 2.65Å; A2317-L2322 VanDerWaalsContact O-O 3.09Å; A2320-L2322 HydrophobicContact CB-CD1 4.19Å; A2320-L2322 HydrophobicContact CB-CG 4.34Å; A2320-L2322 PolarHBondContact O-N 3.02Å |
| 2323 | H | 87.3 | Confident | 84.8 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 6% | 0.06 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 107 | 178 | -171.6 | -128.2 | 0 | 0 | 0 | 109 | V1605 I1606 I1608 F2325 S2522 | V1605-H2323 WeakPolarHBondContact CA-O 3.18Å; I1606-H2323 HydrophobicContact CD1-CB 4.49Å; I1606-H2323 HydrophobicContact CG1-CB 3.79Å; I1606-H2323 PolarHBondContact N-O 2.87Å; I1606-H2323 VanDerWaalsContact N-O 3.08Å; I1606-H2323 PolarHBondContact O-N 3.41Å; I1608-H2323 HydrophobicContact CD1-CB 4.49Å; I1608-H2323 HydrophobicContact CG1-CB 3.82Å; H2323-F2325 AromaticContact CE1-CD1 3.7Å; H2323-F2325 AromaticContact CE1-CG 3.97Å; H2323-F2325 AromaticContact ND1-CD1 3.34Å; H2323-F2325 VanDerWaalsContact ND1-CD1 3.34Å; H2323-F2325 WeakPolarHBondContact ND1-CD1 3.12Å; H2323-F2325 AromaticContact ND1-CE1 3.71Å; H2323-S2522 PolarHBondContact CE1-O 2.79Å |
| 2324 | F | 91.2 | Very high | 83 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123 | 175.2 | 176 | -104.8 | 0 | 0 | 0 | 110 | F1603 F1604 V1605 F1654 I2294 V2310 W2313 Y2314 A2317 W2612 | F1603-F2324 HydrophobicContact CB-CD2 4.13Å; F1603-F2324 HydrophobicContact CB-CE2 3.43Å; F1603-F2324 VanDerWaalsContact CB-CE2 3.43Å; F1603-F2324 HydrophobicContact CB-CZ 3.8Å; F1603-F2324 HydrophobicContact CD1-CD1 4.36Å; F1603-F2324 AromaticContact CD1-CE1 3.64Å; F1603-F2324 HydrophobicContact CD1-CE1 3.64Å; F1603-F2324 AromaticContact CD1-CE2 3.86Å; F1603-F2324 HydrophobicContact CD1-CE2 3.86Å; F1603-F2324 AromaticContact CD1-CZ 3.35Å; F1603-F2324 HydrophobicContact CD1-CZ 3.35Å; F1603-F2324 HydrophobicContact CD2-CE2 4.49Å; F1603-F2324 HydrophobicContact CD2-CZ 4.09Å; F1603-F2324 AromaticContact CE1-CE1 3.91Å; F1603-F2324 HydrophobicContact CE1-CE1 3.91Å; F1603-F2324 AromaticContact CE1-CZ 3.88Å; F1603-F2324 HydrophobicContact CE1-CZ 3.88Å; F1603-F2324 HydrophobicContact CG-CE1 4.25Å; F1603-F2324 AromaticContact CG-CE2 3.7Å; F1603-F2324 HydrophobicContact CG-CE2 3.7Å; F1603-F2324 AromaticContact CG-CZ 3.48Å; F1603-F2324 HydrophobicContact CG-CZ 3.48Å; F1603-F2324 VanDerWaalsContact CG-CZ 3.48Å; F1603-F2324 HydrophobicContact CZ-CZ 4.44Å; F1604-F2324 VanDerWaalsContact O-CA 3.3Å; F1604-F2324 WeakPolarHBondContact O-CA 3.38Å; V1605-F2324 HydrophobicContact CG2-CD2 3.85Å; F1654-F2324 HydrophobicContact CZ-CD2 4.25Å; I2294-F2324 HydrophobicContact CD1-CE2 4.45Å; V2310-F2324 HydrophobicContact CG1-CE1 4.24Å; W2313-F2324 HydrophobicContact CB-CE1 4.18Å; W2313-F2324 HydrophobicContact CB-CZ 4.32Å; W2313-F2324 HydrophobicContact CE3-CZ 4.21Å; Y2314-F2324 HydrophobicContact CD2-CD1 4.36Å; Y2314-F2324 VanDerWaalsContact CD2-O 3.3Å; Y2314-F2324 WeakPolarHBondContact CD2-O 3.46Å; A2317-F2324 HydrophobicContact CB-CB 3.52Å; F2324-W2612 HydrophobicContact CD1-CH2 4.27Å; F2324-W2612 HydrophobicContact CD1-CZ3 4.06Å; F2324-W2612 HydrophobicContact CE1-CH2 4.13Å; F2324-W2612 HydrophobicContact CE1-CZ3 4.38Å; F2324-W2612 WeakPolarHBondContact O-CZ3 3.42Å |
| 2325 | F | 89.7 | Confident | 80.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 148.5 | -174.9 | 62.3 | -76.4 | 0 | 0 | 0 | 112.9 | F1603 F1604 I1606 H2323 V2327 V2519 G2523 L2608 | F1603-F2325 CarbonylContact C-O 3.6Å; F1603-F2325 VanDerWaalsContact CA-O 3.24Å; F1603-F2325 WeakPolarHBondContact CA-O 3.37Å; F1604-F2325 HydrophobicContact CB-CD1 4.34Å; F1604-F2325 HydrophobicContact CB-CE1 3.67Å; F1604-F2325 HydrophobicContact CB-CE2 4.23Å; F1604-F2325 HydrophobicContact CB-CZ 3.62Å; F1604-F2325 HydrophobicContact CD2-CE2 4.21Å; F1604-F2325 AromaticContact CD2-CZ 3.89Å; F1604-F2325 HydrophobicContact CD2-CZ 3.89Å; F1604-F2325 HydrophobicContact CG-CZ 4.27Å; F1604-F2325 PolarHBondContact N-O 3.35Å; F1604-F2325 PolarHBondContact O-N 3.28Å; I1606-F2325 HydrophobicContact CD1-CE1 3.55Å; I1606-F2325 HydrophobicContact CD1-CZ 3.97Å; I1606-F2325 HydrophobicContact CG1-CE1 3.81Å; I1606-F2325 HydrophobicContact CG2-CE1 4.31Å; H2323-F2325 AromaticContact CE1-CD1 3.7Å; H2323-F2325 AromaticContact CE1-CG 3.97Å; H2323-F2325 AromaticContact ND1-CD1 3.34Å; H2323-F2325 VanDerWaalsContact ND1-CD1 3.34Å; H2323-F2325 WeakPolarHBondContact ND1-CD1 3.12Å; H2323-F2325 AromaticContact ND1-CE1 3.71Å; F2325-V2327 HydrophobicContact CD2-CG1 3.62Å; F2325-V2327 HydrophobicContact CE2-CG1 3.33Å; F2325-V2327 HydrophobicContact CZ-CG1 4.22Å; F2325-V2519 HydrophobicContact CE2-CG2 4.04Å; F2325-V2519 HydrophobicContact CZ-CG2 3.86Å; F2325-G2523 WeakPolarHBondContact CE2-O 3.14Å; F2325-G2523 VanDerWaalsContact CZ-CA 3.44Å; F2325-L2608 HydrophobicContact CB-CD2 4.05Å; F2325-L2608 HydrophobicContact CD2-CD1 4.23Å |
| 2326 | P | 91.7 | Very high | 78.3 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 145.5 | 176.3 | 30.9 | -37.7 | 0 | 0 | 0 | 111.6 | R1602 F1603 N2605 M2607 L2608 W2612 | R1602-P2326 WeakPolarHBondContact O-CA 3.39Å; F1603-P2326 HydrophobicContact CD1-CB 4.07Å; F1603-P2326 HydrophobicContact CE1-CB 3.89Å; P2326-N2605 PolarHBondContact O-ND2 3.48Å; P2326-M2607 HydrophobicContact CB-CB 4.25Å; P2326-M2607 HydrophobicContact CB-CE 4.26Å; P2326-M2607 HydrophobicContact CG-CB 4.5Å; P2326-M2607 WeakPolarHBondContact CG-O 3.12Å; P2326-L2608 HydrophobicContact CG-CD2 4.34Å; P2326-W2612 VanDerWaalsContact CD-CD2 3.45Å; P2326-W2612 VanDerWaalsContact CD-CE3 3.5Å; P2326-W2612 HydrophobicContact CG-CD2 3.97Å; P2326-W2612 HydrophobicContact CG-CE3 4.49Å; P2326-W2612 HydrophobicContact CG-CG 4.18Å; P2326-W2612 HydrophobicContact CG-CZ2 4.24Å |
| 2327 | V | 88.8 | Confident | 76 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 143.6 | 178.3 | -62.2 | 0 | 0 | 0 | 0 | 110.2 | R1602 F1604 F2325 F2526 M2607 | R1602-V2327 HydrophobicContact CB-CG2 4.06Å; R1602-V2327 WeakPolarHBondContact CB-O 3.43Å; R1602-V2327 HydrophobicContact CG-CG2 3.71Å; R1602-V2327 PolarHBondContact O-N 2.93Å; R1602-V2327 VanDerWaalsContact O-O 3.06Å; F1604-V2327 HydrophobicContact CB-CG1 4.29Å; F1604-V2327 HydrophobicContact CD1-CG2 3.94Å; F1604-V2327 HydrophobicContact CD2-CB 4.34Å; F1604-V2327 HydrophobicContact CD2-CG1 3.57Å; F1604-V2327 HydrophobicContact CD2-CG2 4.13Å; F1604-V2327 HydrophobicContact CE1-CG2 3.92Å; F1604-V2327 HydrophobicContact CE2-CB 4.35Å; F1604-V2327 HydrophobicContact CE2-CG1 3.98Å; F1604-V2327 HydrophobicContact CE2-CG2 4.12Å; F1604-V2327 HydrophobicContact CG-CG1 3.92Å; F1604-V2327 HydrophobicContact CG-CG2 4.01Å; F1604-V2327 HydrophobicContact CZ-CG2 3.98Å; F2325-V2327 HydrophobicContact CD2-CG1 3.62Å; F2325-V2327 HydrophobicContact CE2-CG1 3.33Å; F2325-V2327 HydrophobicContact CZ-CG1 4.22Å; V2327-F2526 HydrophobicContact CB-CZ 3.9Å; V2327-F2526 HydrophobicContact CG1-CE1 4.21Å; V2327-F2526 HydrophobicContact CG1-CZ 3.76Å; V2327-M2607 VanDerWaalsContact O-SD 3.37Å |
| 2328 | P | 84.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -66.8 | 147.6 | 177.2 | 28.2 | -36.2 | 0 | 0 | 0 | 111.9 | D330 Y2330 P2331 F2526 N2605 H2606 M2607 | D330-P2328 VanDerWaalsContact OD2-CA 3.31Å; D330-P2328 WeakPolarHBondContact OD2-CA 3.4Å; D330-P2328 WeakPolarHBondContact OD2-CB 3.43Å; P2328-Y2330 PolarHBondContact O-N 3.12Å; P2328-P2331 HydrophobicContact CG-CB 4.49Å; P2328-P2331 HydrophobicContact CG-CG 4.4Å; P2328-F2526 HydrophobicContact CG-CE2 4.07Å; P2328-N2605 WeakPolarHBondContact CD-OD1 3.4Å; P2328-H2606 VanDerWaalsContact CB-CE1 3.48Å; P2328-H2606 WeakPolarHBondContact CB-CE1 3.46Å; P2328-M2607 VanDerWaalsContact CA-SD 3.58Å; P2328-M2607 HydrophobicContact CB-CG 4.23Å; P2328-M2607 HydrophobicContact CB-SD 4.27Å | ||
| 2329 | C | 76.4 | Confident | 71.8 | Confident | 17 Ų | 17 | 34.9 Ų | 34.9 | 12% | 0.115 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -56.6 | -31.4 | 171.2 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | I329 D330 R1600 | I329-C2329 HydrophobicContact CG2-CB 4.14Å; D330-C2329 VanDerWaalsContact CG-N 3.32Å; D330-C2329 WeakPolarHBondContact OD1-CB 3.48Å; D330-C2329 PolarHBondContact OD1-N 2.86Å; D330-C2329 PolarHBondContact OD1-SG 3.48Å; D330-C2329 PolarHBondContact OD2-N 2.97Å; R1600-C2329 VanDerWaalsContact CZ-SG 3.59Å; R1600-C2329 PolarHBondContact NE-SG 3.46Å; R1600-C2329 VanDerWaalsContact NE-SG 3.43Å |
| 2330 | Y | 75 | Confident | 69.8 | Low | 68 Ų | 68 | 30.7 Ų | 30.7 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | trans | -128.5 | 90.3 | 179.1 | -50.9 | -78.2 | 0 | 0 | 0 | 110.7 | R1600 P2328 F2332 Q2334 L2339 R2346 | R1600-Y2330 PolarHBondContact NH2-OH 2.85Å; R1600-Y2330 VanDerWaalsContact NH2-OH 3.08Å; P2328-Y2330 PolarHBondContact O-N 3.12Å; Y2330-F2332 PolarHBondContact O-N 2.72Å; Y2330-Q2334 HydrophobicContact CD1-CG 4.29Å; Y2330-L2339 HydrophobicContact CE1-CD1 4.07Å; Y2330-L2339 HydrophobicContact CE2-CD2 3.94Å; Y2330-R2346 PolarHBondContact O-NH1 2.78Å | ||
| 2331 | P | 78.7 | Confident | 68.6 | Low | 6 Ų | 6 | 30.9 Ų | 30.9 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -59.6 | -28.5 | -178.3 | -28.1 | 36.9 | 0 | 0 | 0 | 115 | P2328 R2346 F2526 S2603 | P2328-P2331 HydrophobicContact CG-CB 4.49Å; P2328-P2331 HydrophobicContact CG-CG 4.4Å; P2331-R2346 VanDerWaalsContact O-CZ 3.32Å; P2331-R2346 PolarHBondContact O-NH1 2.94Å; P2331-R2346 PolarHBondContact O-NH2 3.31Å; P2331-F2526 HydrophobicContact CB-CB 4.2Å; P2331-F2526 HydrophobicContact CB-CD1 4.22Å; P2331-F2526 HydrophobicContact CB-CD2 3.83Å; P2331-F2526 HydrophobicContact CB-CE2 4.19Å; P2331-F2526 HydrophobicContact CB-CG 3.83Å; P2331-F2526 HydrophobicContact CG-CD1 4.49Å; P2331-F2526 HydrophobicContact CG-CE1 4.49Å; P2331-S2603 VanDerWaalsContact O-CB 3.31Å; P2331-S2603 WeakPolarHBondContact O-CB 3.33Å; P2331-S2603 PolarHBondContact O-OG 2.97Å |
| 2332 | F | 75.3 | Confident | 67.5 | Low | 10 Ų | 10 | 30.1 Ų | 30.1 | 4% | 0.044 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -112.2 | -18.8 | -178.6 | -56.9 | -85.1 | 0 | 0 | 0 | 114.4 | Y2330 P2348 I2517 F2526 T2527 M2528 F2592 F2601 | Y2330-F2332 PolarHBondContact O-N 2.72Å; F2332-P2348 HydrophobicContact CB-CB 4.37Å; F2332-P2348 HydrophobicContact CB-CG 4.31Å; F2332-P2348 HydrophobicContact CD1-CB 3.8Å; F2332-P2348 HydrophobicContact CD1-CG 4.46Å; F2332-P2348 WeakPolarHBondContact O-CD 3.35Å; F2332-I2517 HydrophobicContact CD2-CD1 4.39Å; F2332-I2517 HydrophobicContact CD2-CG1 4.44Å; F2332-I2517 HydrophobicContact CE2-CB 4.47Å; F2332-I2517 HydrophobicContact CE2-CD1 4.35Å; F2332-I2517 HydrophobicContact CE2-CG1 4.04Å; F2332-I2517 HydrophobicContact CE2-CG2 3.83Å; F2332-F2526 HydrophobicContact CE1-CB 4.29Å; F2332-F2526 HydrophobicContact CE2-CB 4.26Å; F2332-F2526 HydrophobicContact CZ-CB 3.64Å; F2332-T2527 VanDerWaalsContact CZ-C 3.47Å; F2332-M2528 HydrophobicContact CD1-CB 4.39Å; F2332-M2528 HydrophobicContact CD2-CB 4.16Å; F2332-M2528 HydrophobicContact CD2-SD 4Å; F2332-M2528 HydrophobicContact CE1-CB 3.92Å; F2332-M2528 HydrophobicContact CE2-CB 3.66Å; F2332-M2528 HydrophobicContact CE2-CG 4.45Å; F2332-M2528 HydrophobicContact CE2-SD 4.32Å; F2332-M2528 HydrophobicContact CG-SD 4.43Å; F2332-M2528 HydrophobicContact CZ-CB 3.54Å; F2332-F2592 HydrophobicContact CB-CE2 4.04Å; F2332-F2592 HydrophobicContact CB-CZ 4.01Å; F2332-F2601 HydrophobicContact CD1-CB 4.04Å; F2332-F2601 HydrophobicContact CE1-CB 4.24Å; F2332-F2601 WeakPolarHBondContact CE1-O 3.33Å |
| 2333 | G | 59.6 | Low | 66.8 | Low | 28 Ų | 28 | 32 Ų | 32 | 29% | 0.289 | 17% | 0.173 | S | C | . | . | trans | 73 | 109.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F2592 | G2333-F2592 WeakPolarHBondContact O-CZ 3.17Š| ||
| 2334 | Q | 52.7 | Low | 66.5 | Low | 44 Ų | 44 | 31.5 Ų | 31.5 | 21% | 0.206 | 17% | 0.171 | C | C | . | . | trans | -64.4 | 135.6 | 174.8 | -57.2 | 174 | -97 | 0 | 0 | 108.8 | Y2330 D2337 S2340 | Y2330-Q2334 HydrophobicContact CD1-CG 4.29Å; Q2334-D2337 PolarHBondContact NE2-OD2 2.77Å; Q2334-S2340 WeakPolarHBondContact O-CA 3.42Å; Q2334-S2340 WeakPolarHBondContact O-CB 3.44Å; Q2334-S2340 PolarHBondContact O-N 3.34Å | ||
| 2335 | S | 43.7 | Very low | 66.3 | Low | 32 Ų | 32 | 31.5 Ų | 31.5 | 22% | 0.224 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -95.8 | -6.4 | -173.8 | 81.6 | 0 | 0 | 0 | 0 | 116.3 | C2591 | S2335-C2591 WeakPolarHBondContact CB-O 3.04Å; S2335-C2591 PolarHBondContact N-O 3.26Å; S2335-C2591 PolarHBondContact OG-O 3Å |
| 2336 | N | 37.5 | Very low | 65.8 | Low | 73 Ų | 73 | 33.5 Ų | 33.5 | 39% | 0.39 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -126.7 | -1.5 | -168.4 | -75.6 | -28.1 | 0 | 0 | 0 | 116 | A2589 N2590 | N2336-A2589 HydrophobicContact CB-CB 3.64Å; N2336-N2590 PolarHBondContact ND2-O 2.89Å |
| 2337 | D | 43 | Very low | 65.3 | Low | 60 Ų | 60 | 35.8 Ų | 35.8 | 32% | 0.321 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -106 | 164.3 | 170 | -56.6 | -35.7 | 0 | 0 | 0 | 109.8 | Q2334 L2339 S2340 | Q2334-D2337 PolarHBondContact NE2-OD2 2.77Å; D2337-L2339 PolarHBondContact O-N 3.25Å; D2337-S2340 PolarHBondContact O-N 3.49Å; D2337-S2340 PolarHBondContact O-OG 3.48Å |
| 2338 | D | 44 | Very low | 64.9 | Low | 103 Ų | 103 | 36.4 Ų | 36.4 | 55% | 0.551 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 3 | 172.2 | -81.5 | -33.2 | 0 | 0 | 0 | 114.8 | K1542 K2342 | K1542-D2338 IonicContact NZ-OD1 3.75Å; D2338-K2342 WeakPolarHBondContact O-CE 3.49Å |
| 2339 | L | 41.6 | Very low | 64.9 | Low | 47 Ų | 47 | 37.1 Ų | 37.1 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -24.7 | 171.1 | -72.4 | 158.4 | 0 | 0 | 0 | 112.8 | Y2330 D2337 D2341 K2342 | Y2330-L2339 HydrophobicContact CE1-CD1 4.07Å; Y2330-L2339 HydrophobicContact CE2-CD2 3.94Å; D2337-L2339 PolarHBondContact O-N 3.25Å; L2339-D2341 PolarHBondContact O-N 3.3Å; L2339-K2342 HydrophobicContact CD2-CD 4.12Å; L2339-K2342 PolarHBondContact O-N 3.3Å |
| 2340 | S | 46.1 | Very low | 65.4 | Low | 27 Ų | 27 | 39 Ų | 39 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -59 | -39.8 | 174.6 | 77.1 | 0 | 0 | 0 | 0 | 111.1 | Q2334 D2337 K2342 D2343 | Q2334-S2340 WeakPolarHBondContact O-CA 3.42Å; Q2334-S2340 WeakPolarHBondContact O-CB 3.44Å; Q2334-S2340 PolarHBondContact O-N 3.34Å; D2337-S2340 PolarHBondContact O-N 3.49Å; D2337-S2340 PolarHBondContact O-OG 3.48Å; S2340-K2342 PolarHBondContact O-N 3.3Å; S2340-D2343 PolarHBondContact O-N 3.35Å |
| 2341 | D | 58.9 | Low | 66.1 | Low | 14 Ų | 14 | 36.1 Ų | 36.1 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -64.5 | -9.8 | -176.6 | -76.5 | -29.9 | 0 | 0 | 0 | 114.2 | N322 T1562 N1563 L2339 | N322-D2341 VanDerWaalsContact CB-O 3.26Å; N322-D2341 WeakPolarHBondContact CB-O 3.35Å; N322-D2341 PolarHBondContact ND2-O 3.28Å; T1562-D2341 WeakPolarHBondContact CA-OD1 3.37Å; T1562-D2341 WeakPolarHBondContact CB-OD1 3.43Å; T1562-D2341 WeakPolarHBondContact OG1-CA 3.3Å; T1562-D2341 PolarHBondContact OG1-OD1 2.86Å; N1563-D2341 VanDerWaalsContact CB-OD2 3.26Å; N1563-D2341 WeakPolarHBondContact CB-OD2 3.47Å; N1563-D2341 VanDerWaalsContact N-CG 3.32Å; N1563-D2341 PolarHBondContact N-OD1 3.18Å; N1563-D2341 PolarHBondContact N-OD2 3.06Å; N1563-D2341 PolarHBondContact ND2-OD2 3.02Å; L2339-D2341 PolarHBondContact O-N 3.3Å |
| 2342 | K | 62.8 | Low | 66.6 | Low | 81 Ų | 81 | 39 Ų | 39 | 35% | 0.352 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -89.3 | -19.5 | -177.2 | -61 | 177.9 | -168.2 | 166 | 0 | 113.4 | L323 D2338 L2339 S2340 | L323-K2342 WeakPolarHBondContact CA-O 3.38Å; D2338-K2342 WeakPolarHBondContact O-CE 3.49Å; L2339-K2342 HydrophobicContact CD2-CD 4.12Å; L2339-K2342 PolarHBondContact O-N 3.3Å; S2340-K2342 PolarHBondContact O-N 3.3Å |
| 2343 | D | 75.4 | Confident | 67.2 | Low | 43 Ų | 43 | 39.1 Ų | 39.1 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | trans | -134.7 | 69.9 | 173.3 | -167.5 | -10.4 | 0 | 0 | 0 | 112.8 | L323 S2340 L2345 R2346 | L323-D2343 HydrophobicContact CD2-CB 4.05Å; L323-D2343 WeakPolarHBondContact CD2-OD1 3.32Å; S2340-D2343 PolarHBondContact O-N 3.35Å; D2343-L2345 PolarHBondContact O-N 3.1Å; D2343-L2345 VanDerWaalsContact O-N 3.13Å; D2343-L2345 PolarHBondContact OD1-N 3.41Å; D2343-R2346 HydrophobicContact CB-CB 4.33Å; D2343-R2346 PolarHBondContact O-N 2.7Å; D2343-R2346 VanDerWaalsContact OD1-CB 3.23Å; D2343-R2346 WeakPolarHBondContact OD1-CB 3.5Å; D2343-R2346 PolarHBondContact OD1-N 3.38Å; D2343-R2346 WeakPolarHBondContact OD2-CB 3.21Å; D2343-R2346 WeakPolarHBondContact OD2-CD 3.5Å | ||
| 2344 | P | 81.4 | Confident | 68.5 | Low | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -8.9 | -178.8 | 27.5 | -36.4 | 0 | 0 | 0 | 114.7 | M319 N322 Y1547 T1562 | M319-P2344 HydrophobicContact CB-CG 3.88Å; M319-P2344 HydrophobicContact CG-CB 4.35Å; M319-P2344 HydrophobicContact CG-CG 4.19Å; M319-P2344 HydrophobicContact SD-CB 4.01Å; M319-P2344 HydrophobicContact SD-CG 4.4Å; N322-P2344 HydrophobicContact CB-CG 4.12Å; Y1547-P2344 WeakPolarHBondContact CE2-O 3.27Å; Y1547-P2344 VanDerWaalsContact OH-CA 3.31Å; Y1547-P2344 WeakPolarHBondContact OH-CA 3.46Å; Y1547-P2344 WeakPolarHBondContact OH-CB 3.27Å; Y1547-P2344 PolarHBondContact OH-O 3.2Å; T1562-P2344 HydrophobicContact CG2-CB 4.03Å |
| 2345 | L | 85.6 | Confident | 69.9 | Low | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -0.5 | 178.3 | -68.7 | -173.7 | 0 | 0 | 0 | 113.5 | F175 V220 V253 M319 L323 L1549 D2343 | F175-L2345 HydrophobicContact CE1-CD1 4.19Å; F175-L2345 HydrophobicContact CZ-CD1 3.99Å; V220-L2345 HydrophobicContact CG2-CD1 3.91Å; V253-L2345 HydrophobicContact CG2-CB 4.45Å; V253-L2345 HydrophobicContact CG2-CD2 4.39Å; M319-L2345 HydrophobicContact CE-CD2 3.83Å; L323-L2345 HydrophobicContact CD1-CB 4.43Å; L323-L2345 HydrophobicContact CD1-CD1 3.76Å; L323-L2345 HydrophobicContact CD1-CG 4.07Å; L1549-L2345 HydrophobicContact CD1-CD2 4.25Å; D2343-L2345 PolarHBondContact O-N 3.1Å; D2343-L2345 VanDerWaalsContact O-N 3.13Å; D2343-L2345 PolarHBondContact OD1-N 3.41Å |
| 2346 | R | 80.1 | Confident | 71.5 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 16% | 0.158 | 21% | 0.214 | C | C | . | . | trans | -117.8 | 135.7 | -177.6 | -167.2 | 169.7 | 179 | -117.1 | -1.4 | 111.1 | Y2330 P2331 D2343 S2603 W2604 H2606 | Y2330-R2346 PolarHBondContact O-NH1 2.78Å; P2331-R2346 VanDerWaalsContact O-CZ 3.32Å; P2331-R2346 PolarHBondContact O-NH1 2.94Å; P2331-R2346 PolarHBondContact O-NH2 3.31Å; D2343-R2346 HydrophobicContact CB-CB 4.33Å; D2343-R2346 PolarHBondContact O-N 2.7Å; D2343-R2346 VanDerWaalsContact OD1-CB 3.23Å; D2343-R2346 WeakPolarHBondContact OD1-CB 3.5Å; D2343-R2346 PolarHBondContact OD1-N 3.38Å; D2343-R2346 WeakPolarHBondContact OD2-CB 3.21Å; D2343-R2346 WeakPolarHBondContact OD2-CD 3.5Å; R2346-S2603 PolarHBondContact NH2-OG 3.23Å; R2346-W2604 PolarHBondContact NH2-O 3.06Å; R2346-H2606 VanDerWaalsContact CZ-CE1 3.45Å; R2346-H2606 PolarHBondContact NE-ND1 3.46Å; R2346-H2606 PolarHBondContact NH1-CE1 3.14Å; R2346-H2606 PolarHBondContact NH2-ND1 2.71Å; R2346-H2606 VanDerWaalsContact NH2-ND1 3.15Å | ||
| 2347 | K | 79.8 | Confident | 73.5 | Confident | 52 Ų | 52 | 39 Ų | 39 | 23% | 0.226 | 20% | 0.204 | C | C | . | . | trans | -148.8 | 139 | 175.5 | -167.7 | 171.8 | -166.2 | 156.5 | 0 | 107.5 | L1549 V1551 V1558 S1559 L1560 | L1549-K2347 HydrophobicContact CD2-CB 4.3Å; V1551-K2347 HydrophobicContact CG1-CB 3.96Å; V1558-K2347 HydrophobicContact CB-CD 4.39Å; S1559-K2347 PolarHBondContact O-NZ 3.41Å; L1560-K2347 HydrophobicContact CD1-CD 4.21Å; L1560-K2347 HydrophobicContact CD2-CD 4.04Å; L1560-K2347 HydrophobicContact CG-CD 4.28Å | ||
| 2348 | P | 80.8 | Confident | 75.2 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | trans | -74.9 | 151.3 | 178.9 | 33 | -36 | 0 | 0 | 0 | 111 | F2332 F2350 F2592 F2601 W2602 | F2332-P2348 HydrophobicContact CB-CB 4.37Å; F2332-P2348 HydrophobicContact CB-CG 4.31Å; F2332-P2348 HydrophobicContact CD1-CB 3.8Å; F2332-P2348 HydrophobicContact CD1-CG 4.46Å; F2332-P2348 WeakPolarHBondContact O-CD 3.35Å; P2348-F2350 PolarHBondContact O-N 3.01Å; P2348-F2592 HydrophobicContact CG-CE1 3.84Å; P2348-F2592 HydrophobicContact CG-CE2 3.91Å; P2348-F2592 HydrophobicContact CG-CZ 3.42Å; P2348-F2592 VanDerWaalsContact CG-CZ 3.42Å; P2348-F2601 HydrophobicContact CB-CB 4.18Å; P2348-F2601 HydrophobicContact CB-CD1 4.22Å; P2348-F2601 HydrophobicContact CG-CB 4.39Å; P2348-F2601 HydrophobicContact CG-CD1 3.78Å; P2348-F2601 HydrophobicContact CG-CE1 4.43Å; P2348-F2601 HydrophobicContact CG-CG 4.34Å; P2348-W2602 WeakPolarHBondContact CA-O 3.4Å; P2348-W2602 WeakPolarHBondContact CB-O 3.26Å | ||
| 2349 | I | 85.5 | Confident | 76.5 | Confident | 16 Ų | 16 | 31.8 Ų | 31.8 | 8% | 0.082 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 115.2 | 178.9 | -61.4 | 175.7 | 0 | 0 | 0 | 107.6 | V1551 D1553 L2351 W2602 L2627 R2631 | V1551-I2349 HydrophobicContact CG2-CG1 4.43Å; D1553-I2349 HydrophobicContact CB-CD1 4.08Å; I2349-L2351 HydrophobicContact CG2-CD2 3.66Å; I2349-L2351 HydrophobicContact CG2-CG 4.31Å; I2349-W2602 HydrophobicContact CB-CB 4.32Å; I2349-W2602 PolarHBondContact N-O 2.95Å; I2349-W2602 PolarHBondContact O-N 2.89Å; I2349-L2627 HydrophobicContact CD1-CD2 4.28Å; I2349-R2631 VanDerWaalsContact CG2-NH2 3.29Å |
| 2350 | F | 86.8 | Confident | 78 | Confident | 56 Ų | 56 | 33.9 Ų | 33.9 | 25% | 0.246 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132.6 | 171.8 | -175.3 | -108.5 | 0 | 0 | 0 | 111.1 | P2348 P2352 P2530 Q2595 S2597 Y2600 F2601 | P2348-F2350 PolarHBondContact O-N 3.01Å; F2350-P2352 HydrophobicContact CE1-CB 3.88Å; F2350-P2352 HydrophobicContact CE1-CG 4.45Å; F2350-P2530 HydrophobicContact CE2-CG 3.96Å; F2350-Q2595 HydrophobicContact CE2-CG 4.36Å; F2350-S2597 WeakPolarHBondContact CE1-OG 3.38Å; F2350-Y2600 CarbonylContact C-O 3.53Å; F2350-Y2600 WeakPolarHBondContact CA-O 3.14Å; F2350-Y2600 WeakPolarHBondContact CD2-O 3.38Å; F2350-F2601 HydrophobicContact CB-CD1 4.19Å; F2350-F2601 HydrophobicContact CB-CE1 4.11Å; F2350-F2601 HydrophobicContact CD2-CD1 4.01Å; F2350-F2601 AromaticContact CD2-CE1 3.85Å; F2350-F2601 HydrophobicContact CD2-CE1 3.85Å; F2350-F2601 HydrophobicContact CD2-CG 4.44Å; F2350-F2601 HydrophobicContact CD2-CZ 4.16Å; F2350-F2601 HydrophobicContact CG-CE1 4.37Å |
| 2351 | L | 89.6 | Confident | 79.1 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 93.8 | -177.6 | -58.4 | -177.2 | 0 | 0 | 0 | 108.9 | I2349 G2599 Y2600 W2602 L2627 F2630 R2631 L2634 | I2349-L2351 HydrophobicContact CG2-CD2 3.66Å; I2349-L2351 HydrophobicContact CG2-CG 4.31Å; L2351-G2599 CarbonylContact O-C 3.52Å; L2351-G2599 WeakPolarHBondContact O-CA 3.4Å; L2351-Y2600 PolarHBondContact N-O 3.32Å; L2351-Y2600 PolarHBondContact O-N 3.21Å; L2351-W2602 HydrophobicContact CD1-CB 3.73Å; L2351-W2602 HydrophobicContact CD1-CD2 4.02Å; L2351-W2602 HydrophobicContact CD1-CE3 3.76Å; L2351-W2602 HydrophobicContact CD1-CG 4.08Å; L2351-W2602 HydrophobicContact CG-CB 4.17Å; L2351-L2627 HydrophobicContact CD1-CD1 3.75Å; L2351-L2627 HydrophobicContact CD2-CD1 4.09Å; L2351-F2630 HydrophobicContact CD1-CD1 3.76Å; L2351-F2630 HydrophobicContact CD1-CE1 4.04Å; L2351-R2631 HydrophobicContact CD2-CG 3.84Å; L2351-L2634 HydrophobicContact CB-CD1 4.15Å |
| 2352 | P | 88.1 | Confident | 79.4 | Confident | 68 Ų | 68 | 32.6 Ų | 32.6 | 44% | 0.442 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 147.4 | 177.7 | 27.9 | -33.9 | 0 | 0 | 0 | 111.3 | F2350 I2598 | F2350-P2352 HydrophobicContact CE1-CB 3.88Å; F2350-P2352 HydrophobicContact CE1-CG 4.45Å; P2352-I2598 WeakPolarHBondContact CA-O 3.19Å |
| 2353 | V | 89 | Confident | 79.5 | Confident | 12 Ų | 12 | 32.2 Ų | 32.2 | 7% | 0.073 | 16% | 0.164 | C | C | . | . | trans | -83.9 | 141.2 | 166.8 | -167.5 | 0 | 0 | 0 | 0 | 109.1 | V2355 L2358 I2598 Y2600 L2634 L2641 | V2353-V2355 VanDerWaalsContact C-N 3.27Å; V2353-V2355 PolarHBondContact O-N 3.33Å; V2353-L2358 HydrophobicContact CG1-CD1 4.11Å; V2353-I2598 HydrophobicContact CG2-CG2 4.06Å; V2353-I2598 PolarHBondContact N-O 2.73Å; V2353-Y2600 HydrophobicContact CG2-CE2 4.02Å; V2353-L2634 HydrophobicContact CG1-CD2 4.3Å; V2353-L2634 HydrophobicContact CG2-CD2 4.13Å; V2353-L2641 HydrophobicContact CG1-CD2 4.07Å | ||
| 2354 | N | 86.8 | Confident | 79 | Confident | 50 Ų | 50 | 34.3 Ų | 34.3 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | trans | -73.8 | 82 | 171.4 | -170.9 | -2.9 | 0 | 0 | 0 | 111 | D2356 I2357 L2634 N2635 | N2354-D2356 PolarHBondContact O-N 2.86Å; N2354-D2356 VanDerWaalsContact O-N 3.16Å; N2354-D2356 PolarHBondContact OD1-N 3.21Å; N2354-I2357 HydrophobicContact CB-CD1 4.42Å; N2354-I2357 VanDerWaalsContact ND2-CD1 3.26Å; N2354-I2357 WeakPolarHBondContact ND2-CD1 3.33Å; N2354-I2357 PolarHBondContact O-N 3.45Å; N2354-L2634 VanDerWaalsContact CB-O 3.25Å; N2354-L2634 WeakPolarHBondContact CB-O 3.19Å; N2354-L2634 PolarHBondContact N-O 3.36Å; N2354-N2635 WeakPolarHBondContact CB-O 3.25Å; N2354-N2635 PolarHBondContact ND2-O 2.88Å | ||
| 2355 | V | 80.9 | Confident | 77.9 | Confident | 17 Ų | 17 | 36 Ų | 36 | 10% | 0.103 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.3 | -29.4 | 178.7 | -176.3 | 0 | 0 | 0 | 0 | 112 | V2353 I2357 L2358 I2359 F2397 | V2353-V2355 VanDerWaalsContact C-N 3.27Å; V2353-V2355 PolarHBondContact O-N 3.33Å; V2355-I2357 VanDerWaalsContact C-N 3.26Å; V2355-I2357 PolarHBondContact O-N 3.47Å; V2355-L2358 WeakPolarHBondContact O-CB 3.33Å; V2355-L2358 PolarHBondContact O-N 2.73Å; V2355-I2359 HydrophobicContact CG1-CD1 3.93Å; V2355-I2359 HydrophobicContact CG1-CG1 4.15Å; V2355-I2359 VanDerWaalsContact O-CG1 3.32Å; V2355-I2359 WeakPolarHBondContact O-CG1 3.42Å; V2355-I2359 PolarHBondContact O-N 2.79Å; V2355-F2397 HydrophobicContact CG1-CB 4.12Å; V2355-F2397 HydrophobicContact CG1-CD1 3.54Å; V2355-F2397 HydrophobicContact CG1-CD2 3.81Å; V2355-F2397 HydrophobicContact CG1-CE1 3.82Å; V2355-F2397 HydrophobicContact CG1-CE2 4.06Å; V2355-F2397 HydrophobicContact CG1-CG 3.53Å; V2355-F2397 HydrophobicContact CG1-CZ 4.07Å |
| 2356 | D | 78.4 | Confident | 76.3 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.4 | -27 | -174.7 | -57.6 | -37.7 | 0 | 0 | 0 | 112.1 | N2354 E2360 K2400 | N2354-D2356 PolarHBondContact O-N 2.86Å; N2354-D2356 VanDerWaalsContact O-N 3.16Å; N2354-D2356 PolarHBondContact OD1-N 3.21Å; D2356-E2360 PolarHBondContact O-N 3.49Å; D2356-K2400 IonicContact OD1-NZ 3.79Å; D2356-K2400 PolarHBondContact OD1-NZ 3.38Å; D2356-K2400 IonicContact OD2-NZ 3.23Å; D2356-K2400 PolarHBondContact OD2-NZ 3.37Å |
| 2357 | I | 79 | Confident | 74.9 | Confident | 34 Ų | 34 | 42.6 Ų | 42.6 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.4 | -40.9 | 169.8 | -67.5 | 174.8 | 0 | 0 | 0 | 111.3 | N2354 V2355 I2359 E2360 V2361 N2635 F2642 | N2354-I2357 HydrophobicContact CB-CD1 4.42Å; N2354-I2357 VanDerWaalsContact ND2-CD1 3.26Å; N2354-I2357 WeakPolarHBondContact ND2-CD1 3.33Å; N2354-I2357 PolarHBondContact O-N 3.45Å; V2355-I2357 VanDerWaalsContact C-N 3.26Å; V2355-I2357 PolarHBondContact O-N 3.47Å; I2357-I2359 VanDerWaalsContact C-N 3.27Å; I2357-I2359 PolarHBondContact O-N 2.97Å; I2357-E2360 CarbonylContact O-C 3.43Å; I2357-E2360 WeakPolarHBondContact O-CA 3.48Å; I2357-E2360 WeakPolarHBondContact O-CB 3.32Å; I2357-E2360 PolarHBondContact O-N 2.75Å; I2357-V2361 VanDerWaalsContact O-CG2 3.3Å; I2357-V2361 WeakPolarHBondContact O-CG2 3.42Å; I2357-V2361 PolarHBondContact O-N 3.3Å; I2357-N2635 VanDerWaalsContact CD1-O 3.28Å; I2357-N2635 WeakPolarHBondContact CD1-O 3.48Å; I2357-F2642 HydrophobicContact CG2-CB 4.37Å |
| 2358 | L | 78.9 | Confident | 73.3 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 176.4 | -54.6 | 178.9 | 0 | 0 | 0 | 111.1 | V2353 V2355 E2360 V2361 A2362 F2397 F2476 L2641 F2645 | V2353-L2358 HydrophobicContact CG1-CD1 4.11Å; V2355-L2358 WeakPolarHBondContact O-CB 3.33Å; V2355-L2358 PolarHBondContact O-N 2.73Å; L2358-E2360 VanDerWaalsContact C-N 3.31Å; L2358-E2360 PolarHBondContact O-N 3.05Å; L2358-V2361 PolarHBondContact O-N 3.2Å; L2358-A2362 PolarHBondContact O-N 3.08Å; L2358-F2397 HydrophobicContact CB-CE2 4.2Å; L2358-F2397 HydrophobicContact CB-CZ 3.88Å; L2358-F2397 HydrophobicContact CD1-CE1 4.28Å; L2358-F2397 HydrophobicContact CD1-CZ 3.95Å; L2358-F2476 HydrophobicContact CD1-CE1 4.28Å; L2358-F2476 HydrophobicContact CD2-CE1 4.18Å; L2358-F2476 HydrophobicContact CD2-CZ 4.31Å; L2358-L2641 HydrophobicContact CD2-CD1 4.27Å; L2358-L2641 HydrophobicContact CD2-CD2 4.3Å; L2358-L2641 HydrophobicContact CD2-CG 4.06Å; L2358-F2645 HydrophobicContact CB-CD1 4.31Å; L2358-F2645 HydrophobicContact CB-CE1 4.18Å; L2358-F2645 HydrophobicContact CD2-CB 3.85Å; L2358-F2645 HydrophobicContact CD2-CD1 3.97Å; L2358-F2645 HydrophobicContact CD2-CD2 4.13Å; L2358-F2645 HydrophobicContact CD2-CG 3.72Å |
| 2359 | I | 72.1 | Confident | 71.3 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -40.3 | 171.2 | -69.4 | 171.4 | 0 | 0 | 0 | 111.2 | V2355 I2357 K2363 L2393 F2397 Y2401 | V2355-I2359 HydrophobicContact CG1-CD1 3.93Å; V2355-I2359 HydrophobicContact CG1-CG1 4.15Å; V2355-I2359 VanDerWaalsContact O-CG1 3.32Å; V2355-I2359 WeakPolarHBondContact O-CG1 3.42Å; V2355-I2359 PolarHBondContact O-N 2.79Å; I2357-I2359 VanDerWaalsContact C-N 3.27Å; I2357-I2359 PolarHBondContact O-N 2.97Å; I2359-K2363 HydrophobicContact CG2-CD 4.25Å; I2359-K2363 WeakPolarHBondContact O-CG 3.4Å; I2359-K2363 PolarHBondContact O-N 2.84Å; I2359-K2363 VanDerWaalsContact O-N 3.16Å; I2359-L2393 HydrophobicContact CB-CD2 4.27Å; I2359-L2393 HydrophobicContact CG1-CD2 4.14Å; I2359-L2393 HydrophobicContact CG2-CD1 3.94Å; I2359-L2393 HydrophobicContact CG2-CD2 4.01Å; I2359-F2397 HydrophobicContact CD1-CD2 4.42Å; I2359-F2397 HydrophobicContact CG1-CD2 3.84Å; I2359-F2397 HydrophobicContact CG1-CE2 4.09Å; I2359-Y2401 HydrophobicContact CD1-CE2 3.94Å |
| 2360 | E | 71.9 | Confident | 68.8 | Low | 92 Ų | 92 | 51.9 Ų | 51.9 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.3 | -37.2 | 177.6 | -152.3 | -163 | 132.6 | 0 | 0 | 112.8 | D2356 I2357 L2358 K2363 K2364 | D2356-E2360 PolarHBondContact O-N 3.49Å; I2357-E2360 CarbonylContact O-C 3.43Å; I2357-E2360 WeakPolarHBondContact O-CA 3.48Å; I2357-E2360 WeakPolarHBondContact O-CB 3.32Å; I2357-E2360 PolarHBondContact O-N 2.75Å; L2358-E2360 VanDerWaalsContact C-N 3.31Å; L2358-E2360 PolarHBondContact O-N 3.05Å; E2360-K2363 PolarHBondContact O-N 2.92Å; E2360-K2364 HydrophobicContact CG-CD 4.47Å; E2360-K2364 WeakPolarHBondContact O-CB 3.36Å; E2360-K2364 PolarHBondContact O-N 2.88Å; E2360-K2364 WeakPolarHBondContact OE1-CE 3.19Å; E2360-K2364 IonicContact OE1-NZ 2.94Å; E2360-K2364 PolarHBondContact OE1-NZ 3.4Å |
| 2361 | V | 68.9 | Low | 66.1 | Low | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -49 | 172 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | I2357 L2358 K2363 K2364 F2365 F2642 F2645 N2646 | I2357-V2361 VanDerWaalsContact O-CG2 3.3Å; I2357-V2361 WeakPolarHBondContact O-CG2 3.42Å; I2357-V2361 PolarHBondContact O-N 3.3Å; L2358-V2361 PolarHBondContact O-N 3.2Å; V2361-K2363 VanDerWaalsContact C-N 3.31Å; V2361-K2363 PolarHBondContact O-N 2.9Å; V2361-K2364 PolarHBondContact O-N 3.26Å; V2361-K2364 VanDerWaalsContact O-N 3.14Å; V2361-F2365 WeakPolarHBondContact O-CB 3.41Å; V2361-F2365 PolarHBondContact O-N 3.25Å; V2361-F2642 HydrophobicContact CB-CD2 4.14Å; V2361-F2642 HydrophobicContact CB-CE2 4.02Å; V2361-F2642 HydrophobicContact CG1-CE2 4.26Å; V2361-F2642 HydrophobicContact CG1-CZ 4.38Å; V2361-F2642 HydrophobicContact CG2-CB 4.08Å; V2361-F2642 HydrophobicContact CG2-CD2 3.18Å; V2361-F2642 HydrophobicContact CG2-CE2 3.56Å; V2361-F2642 HydrophobicContact CG2-CG 3.69Å; V2361-F2642 HydrophobicContact CG2-CZ 4.39Å; V2361-F2645 HydrophobicContact CB-CD1 3.69Å; V2361-F2645 HydrophobicContact CB-CE1 4.19Å; V2361-F2645 HydrophobicContact CG1-CD1 3.74Å; V2361-F2645 HydrophobicContact CG1-CE1 4.39Å; V2361-F2645 HydrophobicContact CG2-CD1 3.98Å; V2361-N2646 HydrophobicContact CG1-CB 4.18Å |
| 2362 | A | 66.1 | Low | 63.3 | Low | 12 Ų | 12 | 61.2 Ų | 61.2 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2358 F2365 Y2366 L2393 | L2358-A2362 PolarHBondContact O-N 3.08Å; A2362-F2365 PolarHBondContact O-N 2.89Å; A2362-Y2366 WeakPolarHBondContact O-CB 3.24Å; A2362-Y2366 PolarHBondContact O-N 3.26Å; A2362-Y2366 VanDerWaalsContact O-N 3.07Å; A2362-L2393 HydrophobicContact CB-CD2 4.09Å |
| 2363 | K | 64 | Low | 60.5 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 32% | 0.317 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 173.5 | -70.4 | 169.3 | -178 | 175 | 0 | 112.6 | I2359 E2360 V2361 Y2366 N2367 M2389 | I2359-K2363 HydrophobicContact CG2-CD 4.25Å; I2359-K2363 WeakPolarHBondContact O-CG 3.4Å; I2359-K2363 PolarHBondContact O-N 2.84Å; I2359-K2363 VanDerWaalsContact O-N 3.16Å; E2360-K2363 PolarHBondContact O-N 2.92Å; V2361-K2363 VanDerWaalsContact C-N 3.31Å; V2361-K2363 PolarHBondContact O-N 2.9Å; K2363-Y2366 PolarHBondContact O-N 3.03Å; K2363-N2367 WeakPolarHBondContact O-CB 3.24Å; K2363-N2367 PolarHBondContact O-N 3.02Å; K2363-N2367 PolarHBondContact O-ND2 2.91Å; K2363-M2389 HydrophobicContact CD-SD 4.29Å; K2363-M2389 HydrophobicContact CG-CG 4.5Å; K2363-M2389 HydrophobicContact CG-SD 4.02Å |
| 2364 | K | 64.8 | Low | 57.5 | Low | 88 Ų | 88 | 70.1 Ų | 70.1 | 38% | 0.383 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 177.4 | -84.3 | 166.6 | 162.9 | 167.6 | 0 | 112.2 | E2360 V2361 N2367 Q2368 F2642 | E2360-K2364 HydrophobicContact CG-CD 4.47Å; E2360-K2364 WeakPolarHBondContact O-CB 3.36Å; E2360-K2364 PolarHBondContact O-N 2.88Å; E2360-K2364 WeakPolarHBondContact OE1-CE 3.19Å; E2360-K2364 IonicContact OE1-NZ 2.94Å; E2360-K2364 PolarHBondContact OE1-NZ 3.4Å; V2361-K2364 PolarHBondContact O-N 3.26Å; V2361-K2364 VanDerWaalsContact O-N 3.14Å; K2364-N2367 PolarHBondContact O-N 3.48Å; K2364-Q2368 WeakPolarHBondContact O-CB 3.49Å; K2364-Q2368 VanDerWaalsContact O-CG 3.25Å; K2364-Q2368 WeakPolarHBondContact O-CG 3.49Å; K2364-Q2368 PolarHBondContact O-N 3.23Å; K2364-Q2368 VanDerWaalsContact O-N 3.15Å; K2364-F2642 HydrophobicContact CD-CE2 3.66Å; K2364-F2642 HydrophobicContact CD-CZ 3.88Å |
| 2365 | F | 59.9 | Low | 54.6 | Low | 39 Ų | 39 | 72.5 Ų | 72.5 | 17% | 0.171 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 177.1 | -158.8 | -91.8 | 0 | 0 | 0 | 111.5 | V2361 A2362 Q2368 L2457 K2650 | V2361-F2365 WeakPolarHBondContact O-CB 3.41Å; V2361-F2365 PolarHBondContact O-N 3.25Å; A2362-F2365 PolarHBondContact O-N 2.89Å; F2365-Q2368 PolarHBondContact O-N 2.93Å; F2365-L2457 HydrophobicContact CD1-CD2 4.27Å; F2365-L2457 HydrophobicContact CE1-CD2 4.05Å; F2365-K2650 HydrophobicContact CE2-CG 3.76Å; F2365-K2650 HydrophobicContact CZ-CG 3.95Å |
| 2366 | Y | 51.7 | Low | 52 | Low | 59 Ų | 59 | 80.3 Ų | 80.3 | 23% | 0.231 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 172.8 | -173.6 | -92 | 0 | 0 | 0 | 111.8 | A2362 K2363 Q2368 L2385 L2454 | A2362-Y2366 WeakPolarHBondContact O-CB 3.24Å; A2362-Y2366 PolarHBondContact O-N 3.26Å; A2362-Y2366 VanDerWaalsContact O-N 3.07Å; K2363-Y2366 PolarHBondContact O-N 3.03Å; Y2366-Q2368 PolarHBondContact O-N 3.42Å; Y2366-L2385 HydrophobicContact CE1-CD2 4.44Å; Y2366-L2454 HydrophobicContact CD2-CD2 3.81Å; Y2366-L2454 HydrophobicContact CE2-CD2 3.96Å; Y2366-L2454 HydrophobicContact CG-CD2 4.36Å |
| 2367 | N | 50.5 | Low | 49.7 | Very low | 121 Ų | 121 | 84.3 Ų | 84.3 | 65% | 0.647 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -4.9 | -178.8 | -68.8 | -10.4 | 0 | 0 | 0 | 114.9 | K2363 K2364 | K2363-N2367 WeakPolarHBondContact O-CB 3.24Å; K2363-N2367 PolarHBondContact O-N 3.02Å; K2363-N2367 PolarHBondContact O-ND2 2.91Å; K2364-N2367 PolarHBondContact O-N 3.48Å |
| 2368 | Q | 45.9 | Very low | 47.3 | Very low | 138 Ų | 138 | 87.9 Ų | 87.9 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 4.9 | -178.1 | -81.3 | 178.9 | -8.8 | 0 | 0 | 114.5 | K2364 F2365 Y2366 | K2364-Q2368 WeakPolarHBondContact O-CB 3.49Å; K2364-Q2368 VanDerWaalsContact O-CG 3.25Å; K2364-Q2368 WeakPolarHBondContact O-CG 3.49Å; K2364-Q2368 PolarHBondContact O-N 3.23Å; K2364-Q2368 VanDerWaalsContact O-N 3.15Å; F2365-Q2368 PolarHBondContact O-N 2.93Å; Y2366-Q2368 PolarHBondContact O-N 3.42Å |
| 2369 | S | 37.6 | Very low | 44.8 | Very low | 38 Ų | 38 | 96.7 Ų | 96.7 | 27% | 0.266 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -70.6 | 125.5 | 166.2 | -69.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 2370 | P | 34.5 | Very low | 42.8 | Very low | 101 Ų | 101 | 100.5 Ų | 100.5 | 66% | 0.656 | 56% | 0.555 | S | S | * | * | trans | -85.6 | 145.7 | -160.6 | 31.5 | -36.6 | 0 | 0 | 0 | 115.7 | ||||
| 2371 | N | 30.4 | Very low | 41 | Very low | 139 Ų | 139 | 102.1 Ų | 102.1 | 74% | 0.743 | 57% | 0.567 | S | S | * | * | trans | 50.9 | 103.2 | 154.2 | -64.6 | -9.3 | 0 | 0 | 0 | 119.5 | ||||
| 2372 | V | 30.9 | Very low | 39.2 | Very low | 120 Ų | 120 | 110 Ų | 110 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | trans | -122 | 137 | 137.2 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2373 | N | 28.2 | Very low | 37.8 | Very low | 143 Ų | 143 | 114.5 Ų | 114.5 | 77% | 0.765 | 63% | 0.629 | S | S | * | * | trans | -70.9 | 143.9 | -164.6 | -70.9 | -31.8 | 0 | 0 | 0 | 114.3 | S2375 | N2373-S2375 PolarHBondContact O-N 3.35Å; N2373-S2375 VanDerWaalsContact O-N 3.09Å | ||
| 2374 | S | 25.4 | Very low | 36.7 | Very low | 124 Ų | 124 | 115.9 Ų | 115.9 | 87% | 0.867 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -74.4 | 89 | 170.2 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 2375 | S | 26.1 | Very low | 35.4 | Very low | 100 Ų | 100 | 116.4 Ų | 116.4 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | trans | -172.7 | 83.3 | 159.3 | 27.6 | 0 | 0 | 0 | 0 | 113.6 | N2373 | N2373-S2375 PolarHBondContact O-N 3.35Å; N2373-S2375 VanDerWaalsContact O-N 3.09Å | ||
| 2376 | L | 26.4 | Very low | 34.2 | Very low | 180 Ų | 180 | 120.9 Ų | 120.9 | 94% | 0.942 | 67% | 0.666 | S | S | * | * | trans | 173.7 | 142 | 136.3 | -94.1 | 159 | 0 | 0 | 0 | 109.1 | ||||
| 2377 | I | 31.4 | Very low | 33.7 | Very low | 159 Ų | 159 | 120.4 Ų | 120.4 | 82% | 0.815 | 67% | 0.671 | S | S | * | * | trans | -109.8 | 132.3 | -170 | -60.1 | 168.1 | 0 | 0 | 0 | 110.4 | ||||
| 2378 | S | 27.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 76% | 0.755 | 66% | 0.658 | S | S | * | * | trans | -156.5 | 137.3 | 147.5 | 58.8 | 0 | 0 | 0 | 0 | 110 | S2380 | S2378-S2380 PolarHBondContact O-N 3.15Š| ||
| 2379 | E | 27.1 | Very low | 33.1 | Very low | 190 Ų | 190 | 113.3 Ų | 113.3 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | trans | -88.4 | 103.7 | -166.7 | -62.8 | 168.8 | 119.2 | 0 | 0 | 112.6 | ||||
| 2380 | S | 30.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | trans | -171.4 | 171 | 159.8 | 39.8 | 0 | 0 | 0 | 0 | 111.1 | S2378 H2382 | S2378-S2380 PolarHBondContact O-N 3.15Å; S2380-H2382 PolarHBondContact O-N 3.47Å | ||
| 2381 | N | 33 | Very low | 34.1 | Very low | 126 Ų | 126 | 111.9 Ų | 111.9 | 67% | 0.674 | 62% | 0.622 | S | S | * | * | trans | 74 | 9.9 | 170.7 | -51.1 | -36.5 | 0 | 0 | 0 | 119 | T2383 | N2381-T2383 PolarHBondContact O-N 2.94Å; N2381-T2383 VanDerWaalsContact O-N 3.16Å | ||
| 2382 | H | 32.8 | Very low | 34.9 | Very low | 167 Ų | 167 | 106.4 Ų | 106.4 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.8 | -12.1 | 172.6 | -101.7 | -68.8 | 0 | 0 | 0 | 115.1 | S2380 | S2380-H2382 PolarHBondContact O-N 3.47Å |
| 2383 | T | 36.2 | Very low | 35.9 | Very low | 105 Ų | 105 | 101.2 Ų | 101.2 | 64% | 0.644 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70 | -38 | 180 | 46.9 | 0 | 0 | 0 | 0 | 113.7 | N2381 | N2381-T2383 PolarHBondContact O-N 2.94Å; N2381-T2383 VanDerWaalsContact O-N 3.16Å |
| 2384 | N | 41.3 | Very low | 37 | Very low | 103 Ų | 103 | 96 Ų | 96 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -77.4 | -33.3 | -165.3 | -64.2 | 5 | 0 | 0 | 0 | 112 | F2386 S2387 | N2384-F2386 VanDerWaalsContact C-N 3.27Å; N2384-F2386 PolarHBondContact O-N 2.93Å; N2384-S2387 PolarHBondContact O-N 3.48Å; N2384-S2387 PolarHBondContact O-OG 3.12Å |
| 2385 | L | 35.7 | Very low | 38.3 | Very low | 98 Ų | 98 | 91.2 Ų | 91.2 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -29.6 | 179.6 | -138.5 | 79.4 | 0 | 0 | 0 | 113.1 | Y2366 | Y2366-L2385 HydrophobicContact CE1-CD2 4.44Å |
| 2386 | F | 35.8 | Very low | 39.5 | Very low | 133 Ų | 133 | 87.7 Ų | 87.7 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -76 | -23.3 | 177 | -97.3 | -88.5 | 0 | 0 | 0 | 113.5 | N2384 M2389 T2390 | N2384-F2386 VanDerWaalsContact C-N 3.27Å; N2384-F2386 PolarHBondContact O-N 2.93Å; F2386-M2389 HydrophobicContact CD1-CE 3.65Å; F2386-M2389 HydrophobicContact CE1-CE 3.78Å; F2386-M2389 HydrophobicContact CE1-SD 4.42Å; F2386-T2390 WeakPolarHBondContact O-CB 3.49Å; F2386-T2390 PolarHBondContact O-N 2.95Å; F2386-T2390 VanDerWaalsContact O-N 3.09Å; F2386-T2390 PolarHBondContact O-OG1 2.93Å |
| 2387 | S | 41 | Very low | 41.2 | Very low | 49 Ų | 49 | 79.9 Ų | 79.9 | 34% | 0.343 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.6 | -62.5 | 175.8 | 64 | 0 | 0 | 0 | 0 | 110.7 | N2384 M2389 T2390 D2391 | N2384-S2387 PolarHBondContact O-N 3.48Å; N2384-S2387 PolarHBondContact O-OG 3.12Å; S2387-M2389 VanDerWaalsContact C-N 3.26Å; S2387-M2389 PolarHBondContact O-N 3.36Å; S2387-M2389 VanDerWaalsContact O-N 3.11Å; S2387-T2390 CarbonylContact O-C 2.81Å; S2387-T2390 WeakPolarHBondContact O-CA 3.4Å; S2387-T2390 WeakPolarHBondContact O-CB 3.36Å; S2387-T2390 PolarHBondContact O-N 2.7Å; S2387-D2391 PolarHBondContact O-N 2.79Å |
| 2388 | N | 42.5 | Very low | 42 | Very low | 67 Ų | 67 | 76.3 Ų | 76.3 | 36% | 0.358 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -50.5 | -39.7 | 175.9 | -65.4 | 21 | 0 | 0 | 0 | 113.9 | D2391 L2392 | N2388-D2391 PolarHBondContact O-N 3.3Å; N2388-L2392 VanDerWaalsContact O-CB 3.3Å; N2388-L2392 WeakPolarHBondContact O-CB 3.05Å; N2388-L2392 PolarHBondContact O-N 2.92Å |
| 2389 | M | 40.7 | Very low | 43 | Very low | 44 Ų | 44 | 74.4 Ų | 74.4 | 22% | 0.217 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 175.2 | -173.7 | -154.3 | 66.2 | 0 | 0 | 111.6 | K2363 F2386 S2387 L2393 | K2363-M2389 HydrophobicContact CD-SD 4.29Å; K2363-M2389 HydrophobicContact CG-CG 4.5Å; K2363-M2389 HydrophobicContact CG-SD 4.02Å; F2386-M2389 HydrophobicContact CD1-CE 3.65Å; F2386-M2389 HydrophobicContact CE1-CE 3.78Å; F2386-M2389 HydrophobicContact CE1-SD 4.42Å; S2387-M2389 VanDerWaalsContact C-N 3.26Å; S2387-M2389 PolarHBondContact O-N 3.36Å; S2387-M2389 VanDerWaalsContact O-N 3.11Å; M2389-L2393 HydrophobicContact CE-CD1 4.47Å; M2389-L2393 HydrophobicContact CG-CD1 4.19Å; M2389-L2393 WeakPolarHBondContact O-CD1 3.34Å; M2389-L2393 WeakPolarHBondContact O-CG 3.45Å; M2389-L2393 PolarHBondContact O-N 3.05Å |
| 2390 | T | 46.9 | Very low | 44 | Very low | 36 Ų | 36 | 71 Ų | 71 | 22% | 0.221 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70 | -38.2 | 178.9 | -52.7 | 0 | 0 | 0 | 0 | 111 | F2386 S2387 L2393 N2394 L2405 | F2386-T2390 WeakPolarHBondContact O-CB 3.49Å; F2386-T2390 PolarHBondContact O-N 2.95Å; F2386-T2390 VanDerWaalsContact O-N 3.09Å; F2386-T2390 PolarHBondContact O-OG1 2.93Å; S2387-T2390 CarbonylContact O-C 2.81Å; S2387-T2390 WeakPolarHBondContact O-CA 3.4Å; S2387-T2390 WeakPolarHBondContact O-CB 3.36Å; S2387-T2390 PolarHBondContact O-N 2.7Å; T2390-L2393 PolarHBondContact O-N 3.43Å; T2390-N2394 WeakPolarHBondContact O-CB 3.48Å; T2390-N2394 PolarHBondContact O-N 2.65Å; T2390-N2394 PolarHBondContact O-ND2 3.5Å; T2390-L2405 HydrophobicContact CG2-CD1 3.77Å |
| 2391 | D | 47.6 | Very low | 44.8 | Very low | 72 Ų | 72 | 70 Ų | 70 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.2 | -44 | 178.1 | -64.5 | -38.3 | 0 | 0 | 0 | 112 | S2387 N2388 L2393 N2394 C2395 | S2387-D2391 PolarHBondContact O-N 2.79Å; N2388-D2391 PolarHBondContact O-N 3.3Å; D2391-L2393 VanDerWaalsContact C-N 3.25Å; D2391-L2393 PolarHBondContact O-N 3.1Å; D2391-N2394 CarbonylContact O-C 3.37Å; D2391-N2394 PolarHBondContact O-N 3.44Å; D2391-C2395 WeakPolarHBondContact O-CB 3.39Å; D2391-C2395 PolarHBondContact O-N 3.23Å; D2391-C2395 PolarHBondContact O-SG 3.46Å |
| 2392 | L | 47.2 | Very low | 45.3 | Very low | 25 Ų | 25 | 72 Ų | 72 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.3 | -37 | 174.5 | -175.1 | 146.5 | 0 | 0 | 0 | 112.1 | N2388 L2396 I2461 | N2388-L2392 VanDerWaalsContact O-CB 3.3Å; N2388-L2392 WeakPolarHBondContact O-CB 3.05Å; N2388-L2392 PolarHBondContact O-N 2.92Å; L2392-L2396 HydrophobicContact CD2-CD1 4.17Å; L2392-L2396 PolarHBondContact O-N 3.46Å; L2392-I2461 HydrophobicContact CD1-CB 4.2Å; L2392-I2461 HydrophobicContact CD1-CD1 4.11Å; L2392-I2461 HydrophobicContact CD1-CG2 3.98Å; L2392-I2461 HydrophobicContact CG-CG2 3.87Å |
| 2393 | L | 51.7 | Low | 45.6 | Very low | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.2 | -36.7 | 176.5 | -64.9 | 171.6 | 0 | 0 | 0 | 112.6 | I2359 A2362 M2389 T2390 D2391 C2395 F2397 | I2359-L2393 HydrophobicContact CB-CD2 4.27Å; I2359-L2393 HydrophobicContact CG1-CD2 4.14Å; I2359-L2393 HydrophobicContact CG2-CD1 3.94Å; I2359-L2393 HydrophobicContact CG2-CD2 4.01Å; A2362-L2393 HydrophobicContact CB-CD2 4.09Å; M2389-L2393 HydrophobicContact CE-CD1 4.47Å; M2389-L2393 HydrophobicContact CG-CD1 4.19Å; M2389-L2393 WeakPolarHBondContact O-CD1 3.34Å; M2389-L2393 WeakPolarHBondContact O-CG 3.45Å; M2389-L2393 PolarHBondContact O-N 3.05Å; T2390-L2393 PolarHBondContact O-N 3.43Å; D2391-L2393 VanDerWaalsContact C-N 3.25Å; D2391-L2393 PolarHBondContact O-N 3.1Å; L2393-C2395 VanDerWaalsContact C-N 3.28Å; L2393-C2395 PolarHBondContact O-N 2.72Å; L2393-F2397 PolarHBondContact O-N 2.94Å |
| 2394 | N | 51.4 | Low | 45.8 | Very low | 34 Ų | 34 | 70.1 Ų | 70.1 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 170.2 | -75.6 | -29.4 | 0 | 0 | 0 | 111.7 | T2390 D2391 | T2390-N2394 WeakPolarHBondContact O-CB 3.48Å; T2390-N2394 PolarHBondContact O-N 2.65Å; T2390-N2394 PolarHBondContact O-ND2 3.5Å; D2391-N2394 CarbonylContact O-C 3.37Å; D2391-N2394 PolarHBondContact O-N 3.44Å |
| 2395 | C | 51.1 | Low | 45.8 | Very low | 22 Ų | 22 | 67.6 Ų | 67.6 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 178.8 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | D2391 L2393 R2469 | D2391-C2395 WeakPolarHBondContact O-CB 3.39Å; D2391-C2395 PolarHBondContact O-N 3.23Å; D2391-C2395 PolarHBondContact O-SG 3.46Å; L2393-C2395 VanDerWaalsContact C-N 3.28Å; L2393-C2395 PolarHBondContact O-N 2.72Å; C2395-R2469 WeakPolarHBondContact O-CD 3.46Å; C2395-R2469 VanDerWaalsContact SG-CZ 3.55Å; C2395-R2469 PolarHBondContact SG-NH1 2.8Å |
| 2396 | L | 53.2 | Low | 46.1 | Very low | 26 Ų | 26 | 70.2 Ų | 70.2 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -81.4 | -30.5 | 178.7 | -78.2 | 161.2 | 0 | 0 | 0 | 113.5 | L2392 I2473 | L2392-L2396 HydrophobicContact CD2-CD1 4.17Å; L2392-L2396 PolarHBondContact O-N 3.46Å; L2396-I2473 WeakPolarHBondContact O-CD1 3.4Å |
| 2397 | F | 60.4 | Low | 46.3 | Very low | 17 Ų | 17 | 68.5 Ų | 68.5 | 8% | 0.075 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -135.9 | 65.6 | -172.2 | -56.2 | -60.5 | 0 | 0 | 0 | 112.9 | V2355 L2358 I2359 L2393 I2598 | V2355-F2397 HydrophobicContact CG1-CB 4.12Å; V2355-F2397 HydrophobicContact CG1-CD1 3.54Å; V2355-F2397 HydrophobicContact CG1-CD2 3.81Å; V2355-F2397 HydrophobicContact CG1-CE1 3.82Å; V2355-F2397 HydrophobicContact CG1-CE2 4.06Å; V2355-F2397 HydrophobicContact CG1-CG 3.53Å; V2355-F2397 HydrophobicContact CG1-CZ 4.07Å; L2358-F2397 HydrophobicContact CB-CE2 4.2Å; L2358-F2397 HydrophobicContact CB-CZ 3.88Å; L2358-F2397 HydrophobicContact CD1-CE1 4.28Å; L2358-F2397 HydrophobicContact CD1-CZ 3.95Å; I2359-F2397 HydrophobicContact CD1-CD2 4.42Å; I2359-F2397 HydrophobicContact CG1-CD2 3.84Å; I2359-F2397 HydrophobicContact CG1-CE2 4.09Å; L2393-F2397 PolarHBondContact O-N 2.94Å; F2397-I2598 HydrophobicContact CD1-CD1 3.6Å; F2397-I2598 HydrophobicContact CE1-CD1 3.75Å |
| 2398 | P | 49.6 | Very low | 46.3 | Very low | 84 Ų | 84 | 72.8 Ų | 72.8 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 148.8 | 178.8 | 25.7 | -34.6 | 0 | 0 | 0 | 112.6 | ||
| 2399 | G | 47.7 | Very low | 46.2 | Very low | 67 Ų | 67 | 76 Ų | 76 | 69% | 0.691 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.9 | -30.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 2400 | K | 47.3 | Very low | 46.2 | Very low | 118 Ų | 118 | 77.2 Ų | 77.2 | 51% | 0.513 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -71.5 | -33 | -179.7 | -107.2 | -164.3 | -177 | -167.3 | 0 | 114.1 | D2356 | D2356-K2400 IonicContact OD1-NZ 3.79Å; D2356-K2400 PolarHBondContact OD1-NZ 3.38Å; D2356-K2400 IonicContact OD2-NZ 3.23Å; D2356-K2400 PolarHBondContact OD2-NZ 3.37Å |
| 2401 | Y | 47.2 | Very low | 45.5 | Very low | 67 Ų | 67 | 83.1 Ų | 83.1 | 26% | 0.263 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -108.6 | -9.6 | -162.6 | -69.8 | -71.5 | 0 | 0 | 0 | 116.5 | I2359 L2403 L2404 L2405 | I2359-Y2401 HydrophobicContact CD1-CE2 3.94Å; Y2401-L2403 VanDerWaalsContact C-N 3.29Å; Y2401-L2403 PolarHBondContact O-N 3.11Å; Y2401-L2404 HydrophobicContact CD1-CD2 4.13Å; Y2401-L2404 HydrophobicContact CE1-CD2 4.4Å; Y2401-L2404 PolarHBondContact O-N 3.25Å; Y2401-L2405 WeakPolarHBondContact O-CB 3.46Å; Y2401-L2405 PolarHBondContact O-N 3.21Å |
| 2402 | Y | 43.5 | Very low | 45 | Very low | 167 Ų | 167 | 83.4 Ų | 83.4 | 66% | 0.655 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -53.1 | -43.9 | -175 | -122 | -94.1 | 0 | 0 | 0 | 113 | F2406 | Y2402-F2406 WeakPolarHBondContact O-CB 3.47Å; Y2402-F2406 PolarHBondContact O-N 3.29Å |
| 2403 | L | 40.3 | Very low | 44.4 | Very low | 136 Ų | 136 | 89.9 Ų | 89.9 | 71% | 0.712 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.7 | -38.4 | 178.5 | -166 | 74.8 | 0 | 0 | 0 | 112.9 | Y2401 L2407 | Y2401-L2403 VanDerWaalsContact C-N 3.29Å; Y2401-L2403 PolarHBondContact O-N 3.11Å; L2403-L2407 HydrophobicContact CG-CD1 4.37Å; L2403-L2407 WeakPolarHBondContact O-CB 3.19Å; L2403-L2407 VanDerWaalsContact O-CG 3.3Å; L2403-L2407 WeakPolarHBondContact O-CG 3.17Å; L2403-L2407 PolarHBondContact O-N 3.09Å |
| 2404 | L | 40.6 | Very low | 43.6 | Very low | 97 Ų | 97 | 94.3 Ų | 94.3 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 179.5 | -159.1 | 76.7 | 0 | 0 | 0 | 110.9 | Y2401 L2407 F2408 | Y2401-L2404 HydrophobicContact CD1-CD2 4.13Å; Y2401-L2404 HydrophobicContact CE1-CD2 4.4Å; Y2401-L2404 PolarHBondContact O-N 3.25Å; L2404-L2407 PolarHBondContact O-N 3.35Å; L2404-F2408 PolarHBondContact O-N 2.92Å |
| 2405 | L | 41.1 | Very low | 42.9 | Very low | 49 Ų | 49 | 99.6 Ų | 99.6 | 26% | 0.257 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -46.4 | 175.6 | -157.9 | 64.5 | 0 | 0 | 0 | 110.6 | T2390 Y2401 L2407 F2408 F2409 | T2390-L2405 HydrophobicContact CG2-CD1 3.77Å; Y2401-L2405 WeakPolarHBondContact O-CB 3.46Å; Y2401-L2405 PolarHBondContact O-N 3.21Å; L2405-L2407 VanDerWaalsContact C-N 3.31Å; L2405-L2407 PolarHBondContact O-N 3.44Å; L2405-F2408 PolarHBondContact O-N 3.06Å; L2405-F2408 VanDerWaalsContact O-N 3.16Å; L2405-F2409 HydrophobicContact CD1-CD2 4.06Å; L2405-F2409 HydrophobicContact CD1-CE2 3.69Å; L2405-F2409 HydrophobicContact CG-CD2 3.94Å; L2405-F2409 HydrophobicContact CG-CE2 3.94Å; L2405-F2409 WeakPolarHBondContact O-CD2 3.29Å; L2405-F2409 PolarHBondContact O-N 3.01Å |
| 2406 | F | 42 | Very low | 42.2 | Very low | 153 Ų | 153 | 104.3 Ų | 104.3 | 67% | 0.671 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60 | -40.7 | 175.3 | -152.8 | -90.8 | 0 | 0 | 0 | 111.7 | Y2402 S2410 | Y2402-F2406 WeakPolarHBondContact O-CB 3.47Å; Y2402-F2406 PolarHBondContact O-N 3.29Å; F2406-S2410 WeakPolarHBondContact O-CB 3.5Å; F2406-S2410 PolarHBondContact O-N 2.9Å |
| 2407 | L | 39.9 | Very low | 41.1 | Very low | 98 Ų | 98 | 112.7 Ų | 112.7 | 51% | 0.513 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71 | -28.3 | 176 | -73.8 | 169.6 | 0 | 0 | 0 | 114.1 | L2403 L2404 L2405 | L2403-L2407 HydrophobicContact CG-CD1 4.37Å; L2403-L2407 WeakPolarHBondContact O-CB 3.19Å; L2403-L2407 VanDerWaalsContact O-CG 3.3Å; L2403-L2407 WeakPolarHBondContact O-CG 3.17Å; L2403-L2407 PolarHBondContact O-N 3.09Å; L2404-L2407 PolarHBondContact O-N 3.35Å; L2405-L2407 VanDerWaalsContact C-N 3.31Å; L2405-L2407 PolarHBondContact O-N 3.44Å |
| 2408 | F | 40.1 | Very low | 39.6 | Very low | 138 Ų | 138 | 118 Ų | 118 | 61% | 0.605 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72 | -56.3 | 171.6 | -107.1 | -96.5 | 0 | 0 | 0 | 111 | L2404 L2405 S2410 K2411 C2412 | L2404-F2408 PolarHBondContact O-N 2.92Å; L2405-F2408 PolarHBondContact O-N 3.06Å; L2405-F2408 VanDerWaalsContact O-N 3.16Å; F2408-S2410 PolarHBondContact O-N 3.23Å; F2408-K2411 PolarHBondContact O-N 3.27Å; F2408-K2411 VanDerWaalsContact O-N 3.08Å; F2408-C2412 PolarHBondContact O-N 3.34Å; F2408-C2412 PolarHBondContact O-SG 2.94Å |
| 2409 | F | 40.1 | Very low | 38.7 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 59% | 0.592 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.4 | -37.8 | -178.7 | -80 | -80.3 | 0 | 0 | 0 | 112.6 | L2405 K2411 C2412 F2413 | L2405-F2409 HydrophobicContact CD1-CD2 4.06Å; L2405-F2409 HydrophobicContact CD1-CE2 3.69Å; L2405-F2409 HydrophobicContact CG-CD2 3.94Å; L2405-F2409 HydrophobicContact CG-CE2 3.94Å; L2405-F2409 WeakPolarHBondContact O-CD2 3.29Å; L2405-F2409 PolarHBondContact O-N 3.01Å; F2409-K2411 PolarHBondContact O-N 3.45Å; F2409-K2411 VanDerWaalsContact O-N 3.15Å; F2409-C2412 PolarHBondContact O-N 3.03Å; F2409-F2413 WeakPolarHBondContact O-CB 3.44Å; F2409-F2413 PolarHBondContact O-N 3.35Å |
| 2410 | S | 40.7 | Very low | 37.9 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 49% | 0.49 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.4 | -21 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 113.8 | F2406 F2408 | F2406-S2410 WeakPolarHBondContact O-CB 3.5Å; F2406-S2410 PolarHBondContact O-N 2.9Å; F2408-S2410 PolarHBondContact O-N 3.23Å |
| 2411 | K | 32.2 | Very low | 37 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -94.8 | -34.4 | 173.8 | -75.3 | -174.7 | 174.4 | -177.4 | 0 | 112.8 | F2408 F2409 | F2408-K2411 PolarHBondContact O-N 3.27Å; F2408-K2411 VanDerWaalsContact O-N 3.08Å; F2409-K2411 PolarHBondContact O-N 3.45Å; F2409-K2411 VanDerWaalsContact O-N 3.15Å |
| 2412 | C | 37.5 | Very low | 36.2 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 52% | 0.52 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -68.6 | -32.5 | 176.4 | -67.2 | 0 | 0 | 0 | 0 | 113 | F2408 F2409 V2414 | F2408-C2412 PolarHBondContact O-N 3.34Å; F2408-C2412 PolarHBondContact O-SG 2.94Å; F2409-C2412 PolarHBondContact O-N 3.03Å; C2412-V2414 VanDerWaalsContact C-N 3.27Å; C2412-V2414 PolarHBondContact O-N 3.31Å |
| 2413 | F | 35.7 | Very low | 35.7 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -15.6 | -176.5 | -142.7 | -95.6 | 0 | 0 | 0 | 114.7 | F2409 | F2409-F2413 WeakPolarHBondContact O-CB 3.44Å; F2409-F2413 PolarHBondContact O-N 3.35Å |
| 2414 | V | 35.2 | Very low | 35.3 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 63% | 0.63 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -20.3 | -174.9 | 179 | 0 | 0 | 0 | 0 | 112.8 | C2412 | C2412-V2414 VanDerWaalsContact C-N 3.27Å; C2412-V2414 PolarHBondContact O-N 3.31Å |
| 2415 | I | 36 | Very low | 34.7 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 74% | 0.744 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -88.9 | -18.2 | -171 | -66.2 | 177 | 0 | 0 | 0 | 112.7 | ||
| 2416 | T | 35.6 | Very low | 34 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -98.6 | 3.3 | -173.3 | -33.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 2417 | Y | 29.8 | Very low | 33.4 | Very low | 203 Ų | 203 | 132.8 Ų | 132.8 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -108.9 | 21.1 | -169.3 | -147.8 | -97.4 | 0 | 0 | 0 | 115.2 | ||
| 2418 | V | 29.9 | Very low | 32.6 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -118.4 | -4.1 | -171.1 | -177 | 0 | 0 | 0 | 0 | 114 | ||
| 2419 | I | 31.1 | Very low | 31.9 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -132.1 | 117.2 | 176.6 | -55.5 | 179.4 | 0 | 0 | 0 | 109.4 | ||
| 2420 | G | 29.8 | Very low | 31.1 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | trans | 129 | 29.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2421 | V | 28.4 | Very low | 30.5 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 93% | 0.933 | 75% | 0.749 | S | S | * | * | trans | -86.4 | 108.1 | 171.5 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2422 | A | 31.1 | Very low | 30.2 | Very low | 86 Ų | 86 | 140.6 Ų | 140.6 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | trans | -156.7 | 132.5 | 163 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2423 | H | 32.5 | Very low | 29.9 | Very low | 173 Ų | 173 | 143.2 Ų | 143.2 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | 68.2 | 76.6 | 157.6 | -85.6 | -96.3 | 0 | 0 | 0 | 122.6 | ||||
| 2424 | V | 31.4 | Very low | 29.4 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 65% | 0.648 | 77% | 0.766 | S | S | * | * | 62.9 | 99.7 | 100.1 | 176.4 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 2425 | N | 28.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | 82.4 | 122.9 | 125.4 | -69.3 | 1.7 | 0 | 0 | 0 | 125.4 | |||||
| 2426 | Y | 26.7 | Very low | 28.9 | Very low | 205 Ų | 205 | 144.5 Ų | 144.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | 105.4 | 131 | 121.1 | -97.4 | -48.7 | 0 | 0 | 0 | 123.4 | |||||
| 2427 | I | 29.5 | Very low | 28.5 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 81 | 84.1 | 154.4 | -55.5 | 171.8 | 0 | 0 | 0 | 119.1 | ||||
| 2428 | K | 23.8 | Very low | 28.2 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | 44 | 114.2 | 108 | -172 | -171.7 | -177.6 | -177.8 | 0 | 119.6 | |||||
| 2429 | L | 24.7 | Very low | 28.4 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | -165.7 | -178.5 | 105.9 | -121.9 | 116.1 | 0 | 0 | 0 | 112.5 | |||||
| 2430 | E | 23.7 | Very low | 28.2 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -105.8 | 156.6 | -162.4 | -58.6 | 159.5 | 110.9 | 0 | 0 | 114.5 | ||||
| 2431 | I | 27.7 | Very low | 28.1 | Very low | 153 Ų | 153 | 151.3 Ų | 151.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | 154.8 | 125.4 | 126.2 | -82 | 169.1 | 0 | 0 | 0 | 113.6 | |||||
| 2432 | T | 24.9 | Very low | 28.2 | Very low | 122 Ų | 122 | 151 Ų | 151 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 43.5 | 129.2 | 163.9 | 56 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2433 | P | 32.9 | Very low | 28.2 | Very low | 132 Ų | 132 | 154.1 Ų | 154.1 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -91.7 | 142 | 162.9 | 36 | -31.3 | 0 | 0 | 0 | 113.3 | ||||
| 2434 | S | 25.1 | Very low | 28.1 | Very low | 98 Ų | 98 | 153.7 Ų | 153.7 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | -156.1 | 173.7 | 162.4 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2435 | Y | 31.8 | Very low | 28 | Very low | 100 Ų | 100 | 156.1 Ų | 156.1 | 39% | 0.392 | 78% | 0.782 | S | S | . | * | trans | 65.3 | 74.1 | 179.5 | -80.2 | -74 | 0 | 0 | 0 | 118.3 | T2191 T2192 L2437 | T2191-Y2435 VanDerWaalsContact C-CD2 3.5Å; T2191-Y2435 HydrophobicContact CG2-CE1 3.98Å; T2192-Y2435 WeakPolarHBondContact CA-OH 3.19Å; T2192-Y2435 HydrophobicContact CG2-CD1 3.15Å; T2192-Y2435 HydrophobicContact CG2-CE1 2.96Å; T2192-Y2435 HydrophobicContact CG2-CG 4.23Å; T2192-Y2435 PolarHBondContact N-OH 3.32Å; T2192-Y2435 WeakPolarHBondContact O-CD2 3.49Å; T2192-Y2435 WeakPolarHBondContact O-CE2 3.22Å; T2192-Y2435 WeakPolarHBondContact OG1-CE1 3.49Å; T2192-Y2435 PolarHBondContact OG1-OH 3.39Å; Y2435-L2437 VanDerWaalsContact C-N 3.28Å; Y2435-L2437 PolarHBondContact O-N 3.2Å | ||
| 2436 | Y | 27.6 | Very low | 28.3 | Very low | 240 Ų | 240 | 156.8 Ų | 156.8 | 94% | 0.941 | 78% | 0.784 | S | S | * | * | trans | -70 | 77 | 157.9 | -148.4 | -83.7 | 0 | 0 | 0 | 110.6 | ||||
| 2437 | L | 26.6 | Very low | 28.5 | Very low | 137 Ų | 137 | 153 Ų | 153 | 72% | 0.717 | 78% | 0.782 | S | S | * | * | trans | -156.1 | 66.1 | 174.6 | -159.6 | 75.3 | 0 | 0 | 0 | 114.7 | T2192 Y2435 | T2192-L2437 HydrophobicContact CG2-CD2 4.5Å; Y2435-L2437 VanDerWaalsContact C-N 3.28Å; Y2435-L2437 PolarHBondContact O-N 3.2Å | ||
| 2438 | K | 24.6 | Very low | 28.7 | Very low | 204 Ų | 204 | 150.4 Ų | 150.4 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -152.9 | 37.8 | 167.1 | -144.7 | 178.1 | -178.3 | 178.3 | 0 | 116.9 | ||||
| 2439 | I | 33.4 | Very low | 29.4 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -128.1 | 81.1 | 161.6 | -54.3 | -177.6 | 0 | 0 | 0 | 109.3 | ||||
| 2440 | L | 27 | Very low | 30 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -150.7 | 146.2 | 160.6 | -123.3 | 167.6 | 0 | 0 | 0 | 105.6 | ||||
| 2441 | I | 28.1 | Very low | 30.6 | Very low | 159 Ų | 159 | 142 Ų | 142 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 71.3 | 79.5 | -166.9 | -44.1 | 171.8 | 0 | 0 | 0 | 113.5 | ||
| 2442 | I | 29.5 | Very low | 31.4 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | S | Bend | -163.4 | 151.9 | 117 | -99 | 162.5 | 0 | 0 | 0 | 107.9 | |||
| 2443 | N | 31.4 | Very low | 32.1 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | trans | 64.7 | 70 | -179.1 | -63.4 | -9.3 | 0 | 0 | 0 | 116.8 | ||||
| 2444 | N | 31.6 | Very low | 32.4 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 88% | 0.877 | 68% | 0.677 | S | S | * | * | trans | -59.2 | 123.8 | 135.3 | -99.6 | -32.3 | 0 | 0 | 0 | 108.8 | ||||
| 2445 | I | 29.6 | Very low | 33.2 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 81% | 0.81 | 67% | 0.668 | S | S | * | * | trans | 177.7 | 150.5 | 150.7 | -98.4 | 154.8 | 0 | 0 | 0 | 108.7 | ||||
| 2446 | I | 33.4 | Very low | 33.9 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | trans | 75.1 | 93.9 | -171.7 | -55.8 | 162.7 | 0 | 0 | 0 | 114.2 | ||||
| 2447 | T | 32.4 | Very low | 34.7 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | trans | -69.6 | 128.3 | 155.9 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2448 | N | 34 | Very low | 35.6 | Very low | 88 Ų | 88 | 115.4 Ų | 115.4 | 47% | 0.471 | 61% | 0.606 | S | S | . | * | trans | -164.1 | 120.7 | 156.5 | -99.1 | -33.2 | 0 | 0 | 0 | 111.2 | G2450 | N2448-G2450 PolarHBondContact O-N 3.11Š| ||
| 2449 | N | 37.8 | Very low | 36.5 | Very low | 152 Ų | 152 | 111.7 Ų | 111.7 | 81% | 0.813 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 7 | -165.3 | -66 | -5.5 | 0 | 0 | 0 | 115.7 | ||
| 2450 | G | 37.3 | Very low | 37.2 | Very low | 26 Ų | 26 | 106.1 Ų | 106.1 | 27% | 0.268 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.5 | -29.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N2448 L2454 | N2448-G2450 PolarHBondContact O-N 3.11Å; G2450-L2454 PolarHBondContact O-N 3.47Å |
| 2451 | F | 36.7 | Very low | 38.2 | Very low | 136 Ų | 136 | 99.5 Ų | 99.5 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -78.6 | -34.7 | -166.4 | -149.4 | -98.1 | 0 | 0 | 0 | 113.4 | L2454 L2455 | F2451-L2454 PolarHBondContact O-N 3.39Å; F2451-L2455 HydrophobicContact CD1-CD1 3.8Å; F2451-L2455 HydrophobicContact CD1-CG 4.36Å; F2451-L2455 HydrophobicContact CE1-CD1 3.97Å; F2451-L2455 HydrophobicContact CE1-CG 4.38Å; F2451-L2455 PolarHBondContact O-N 3.08Å; F2451-L2455 VanDerWaalsContact O-N 3.09Å |
| 2452 | T | 43.2 | Very low | 39.2 | Very low | 96 Ų | 96 | 94.2 Ų | 94.2 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 173.7 | 15.8 | 0 | 0 | 0 | 0 | 112.2 | L2455 V2456 | T2452-L2455 PolarHBondContact O-N 3.09Å; T2452-V2456 WeakPolarHBondContact O-CG2 3.38Å; T2452-V2456 PolarHBondContact O-N 3.17Å |
| 2453 | F | 39.5 | Very low | 40 | Very low | 75 Ų | 75 | 92.2 Ų | 92.2 | 33% | 0.329 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.5 | -176.1 | -102.7 | 0 | 0 | 0 | 111.8 | V2456 L2457 | F2453-V2456 PolarHBondContact O-N 2.73Å; F2453-L2457 HydrophobicContact CZ-CD1 4.38Å; F2453-L2457 WeakPolarHBondContact O-CB 3.33Å; F2453-L2457 PolarHBondContact O-N 2.71Å |
| 2454 | L | 39.3 | Very low | 40.9 | Very low | 31 Ų | 31 | 86.7 Ų | 86.7 | 16% | 0.162 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 174.8 | -78.2 | 172.9 | 0 | 0 | 0 | 112.9 | Y2366 G2450 F2451 S2458 | Y2366-L2454 HydrophobicContact CD2-CD2 3.81Å; Y2366-L2454 HydrophobicContact CE2-CD2 3.96Å; Y2366-L2454 HydrophobicContact CG-CD2 4.36Å; G2450-L2454 PolarHBondContact O-N 3.47Å; F2451-L2454 PolarHBondContact O-N 3.39Å; L2454-S2458 WeakPolarHBondContact O-CB 3.43Å; L2454-S2458 PolarHBondContact O-N 3.26Å |
| 2455 | L | 42 | Very low | 41.8 | Very low | 97 Ų | 97 | 81.7 Ų | 81.7 | 51% | 0.508 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 175.8 | -80.7 | 168.6 | 0 | 0 | 0 | 112.1 | F2451 T2452 K2459 | F2451-L2455 HydrophobicContact CD1-CD1 3.8Å; F2451-L2455 HydrophobicContact CD1-CG 4.36Å; F2451-L2455 HydrophobicContact CE1-CD1 3.97Å; F2451-L2455 HydrophobicContact CE1-CG 4.38Å; F2451-L2455 PolarHBondContact O-N 3.08Å; F2451-L2455 VanDerWaalsContact O-N 3.09Å; T2452-L2455 PolarHBondContact O-N 3.09Å; L2455-K2459 WeakPolarHBondContact O-CB 3.39Å; L2455-K2459 PolarHBondContact O-N 2.67Å |
| 2456 | V | 47.3 | Very low | 42.9 | Very low | 81 Ų | 81 | 77.6 Ų | 77.6 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | T2452 F2453 S2458 K2459 C2460 | T2452-V2456 WeakPolarHBondContact O-CG2 3.38Å; T2452-V2456 PolarHBondContact O-N 3.17Å; F2453-V2456 PolarHBondContact O-N 2.73Å; V2456-S2458 PolarHBondContact O-N 3.28Å; V2456-K2459 PolarHBondContact O-N 3.33Å; V2456-K2459 VanDerWaalsContact O-N 3.13Å; V2456-C2460 WeakPolarHBondContact O-CB 3.42Å; V2456-C2460 PolarHBondContact O-N 3.39Å; V2456-C2460 PolarHBondContact O-SG 3.07Å |
| 2457 | L | 44 | Very low | 43.6 | Very low | 28 Ų | 28 | 73.7 Ų | 73.7 | 15% | 0.147 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.7 | -39.2 | -179.2 | -154.1 | 83.8 | 0 | 0 | 0 | 112.5 | F2365 F2453 K2459 I2461 | F2365-L2457 HydrophobicContact CD1-CD2 4.27Å; F2365-L2457 HydrophobicContact CE1-CD2 4.05Å; F2453-L2457 HydrophobicContact CZ-CD1 4.38Å; F2453-L2457 WeakPolarHBondContact O-CB 3.33Å; F2453-L2457 PolarHBondContact O-N 2.71Å; L2457-K2459 VanDerWaalsContact C-N 3.3Å; L2457-K2459 PolarHBondContact O-N 3.29Å; L2457-I2461 HydrophobicContact CG-CD1 4.16Å; L2457-I2461 WeakPolarHBondContact O-CB 3.4Å; L2457-I2461 WeakPolarHBondContact O-CD1 3.3Å; L2457-I2461 VanDerWaalsContact O-CG1 3.29Å; L2457-I2461 WeakPolarHBondContact O-CG1 3.39Å; L2457-I2461 PolarHBondContact O-N 3.44Å |
| 2458 | S | 45.8 | Very low | 44.9 | Very low | 15 Ų | 15 | 71.3 Ų | 71.3 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 111.8 | L2454 V2456 T2462 | L2454-S2458 WeakPolarHBondContact O-CB 3.43Å; L2454-S2458 PolarHBondContact O-N 3.26Å; V2456-S2458 PolarHBondContact O-N 3.28Å; S2458-T2462 WeakPolarHBondContact O-CG2 3.39Å; S2458-T2462 PolarHBondContact O-N 3.14Å; S2458-T2462 PolarHBondContact O-OG1 3.22Å |
| 2459 | K | 43.5 | Very low | 46.2 | Very low | 126 Ų | 126 | 69.4 Ų | 69.4 | 55% | 0.548 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -78.1 | -48.2 | -178 | -170.9 | 165 | -175.7 | -175.3 | 0 | 111.9 | L2455 V2456 L2457 I2461 T2462 D2463 | L2455-K2459 WeakPolarHBondContact O-CB 3.39Å; L2455-K2459 PolarHBondContact O-N 2.67Å; V2456-K2459 PolarHBondContact O-N 3.33Å; V2456-K2459 VanDerWaalsContact O-N 3.13Å; L2457-K2459 VanDerWaalsContact C-N 3.3Å; L2457-K2459 PolarHBondContact O-N 3.29Å; K2459-I2461 PolarHBondContact O-N 2.93Å; K2459-T2462 WeakPolarHBondContact CA-OG1 3.17Å; K2459-T2462 PolarHBondContact O-N 3.09Å; K2459-T2462 PolarHBondContact O-OG1 2.79Å; K2459-D2463 WeakPolarHBondContact CE-OD2 3.45Å; K2459-D2463 WeakPolarHBondContact CG-OD2 3.23Å; K2459-D2463 WeakPolarHBondContact O-CB 3.36Å; K2459-D2463 PolarHBondContact O-N 2.92Å |
| 2460 | C | 46.8 | Very low | 47.6 | Very low | 60 Ų | 60 | 63.4 Ų | 63.4 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.3 | -9 | 174.7 | -63 | 0 | 0 | 0 | 0 | 114.6 | V2456 I2464 | V2456-C2460 WeakPolarHBondContact O-CB 3.42Å; V2456-C2460 PolarHBondContact O-N 3.39Å; V2456-C2460 PolarHBondContact O-SG 3.07Å; C2460-I2464 WeakPolarHBondContact O-CD1 3.4Å; C2460-I2464 WeakPolarHBondContact O-CG1 3.41Å |
| 2461 | I | 49.3 | Very low | 48.9 | Very low | 24 Ų | 24 | 63 Ų | 63 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -102.6 | -28.8 | 171.6 | -65.4 | 170.4 | 0 | 0 | 0 | 112.2 | L2392 L2457 K2459 M2649 | L2392-I2461 HydrophobicContact CD1-CB 4.2Å; L2392-I2461 HydrophobicContact CD1-CD1 4.11Å; L2392-I2461 HydrophobicContact CD1-CG2 3.98Å; L2392-I2461 HydrophobicContact CG-CG2 3.87Å; L2457-I2461 HydrophobicContact CG-CD1 4.16Å; L2457-I2461 WeakPolarHBondContact O-CB 3.4Å; L2457-I2461 WeakPolarHBondContact O-CD1 3.3Å; L2457-I2461 VanDerWaalsContact O-CG1 3.29Å; L2457-I2461 WeakPolarHBondContact O-CG1 3.39Å; L2457-I2461 PolarHBondContact O-N 3.44Å; K2459-I2461 PolarHBondContact O-N 2.93Å; I2461-M2649 HydrophobicContact CD1-CE 4.07Å |
| 2462 | T | 48.1 | Very low | 50.5 | Low | 48 Ų | 48 | 57.9 Ų | 57.9 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -81.3 | -34.8 | 175.8 | 43.4 | 0 | 0 | 0 | 0 | 112.6 | S2458 K2459 I2464 R2469 | S2458-T2462 WeakPolarHBondContact O-CG2 3.39Å; S2458-T2462 PolarHBondContact O-N 3.14Å; S2458-T2462 PolarHBondContact O-OG1 3.22Å; K2459-T2462 WeakPolarHBondContact CA-OG1 3.17Å; K2459-T2462 PolarHBondContact O-N 3.09Å; K2459-T2462 PolarHBondContact O-OG1 2.79Å; T2462-I2464 VanDerWaalsContact C-N 3.26Å; T2462-I2464 PolarHBondContact O-N 3.44Å; T2462-R2469 PolarHBondContact O-NH2 3.41Å |
| 2463 | D | 46.7 | Very low | 52.1 | Low | 106 Ų | 106 | 54.2 Ų | 54.2 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -74.9 | -11.3 | 179.2 | -68.7 | -13 | 0 | 0 | 0 | 113.1 | K2459 P2465 | K2459-D2463 WeakPolarHBondContact CE-OD2 3.45Å; K2459-D2463 WeakPolarHBondContact CG-OD2 3.23Å; K2459-D2463 WeakPolarHBondContact O-CB 3.36Å; K2459-D2463 PolarHBondContact O-N 2.92Å; D2463-P2465 WeakPolarHBondContact O-CD 3.24Å |
| 2464 | I | 50.5 | Low | 53.8 | Low | 37 Ų | 37 | 53 Ų | 53 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -61 | 123.2 | 173.3 | -54.7 | -179.1 | 0 | 0 | 0 | 109.2 | C2460 T2462 E2468 R2469 | C2460-I2464 WeakPolarHBondContact O-CD1 3.4Å; C2460-I2464 WeakPolarHBondContact O-CG1 3.41Å; T2462-I2464 VanDerWaalsContact C-N 3.26Å; T2462-I2464 PolarHBondContact O-N 3.44Å; I2464-E2468 HydrophobicContact CG2-CB 3.45Å; I2464-E2468 VanDerWaalsContact CG2-CB 3.45Å; I2464-R2469 HydrophobicContact CB-CG 4.01Å; I2464-R2469 HydrophobicContact CG2-CG 3.6Å; I2464-R2469 PolarHBondContact O-NE 3.22Å; I2464-R2469 PolarHBondContact O-NH2 2.89Å |
| 2465 | P | 50.6 | Low | 55.7 | Low | 59 Ų | 59 | 56.6 Ų | 56.6 | 38% | 0.383 | 30% | 0.299 | S | S | . | . | trans | -57.1 | 148.7 | 175.6 | -26.4 | 35.1 | 0 | 0 | 0 | 112.9 | D2463 L2467 E2468 R2469 | D2463-P2465 WeakPolarHBondContact O-CD 3.24Å; P2465-L2467 PolarHBondContact O-N 3.01Å; P2465-E2468 PolarHBondContact O-N 3Å; P2465-R2469 PolarHBondContact O-N 2.91Å | ||
| 2466 | P | 51.9 | Low | 57.8 | Low | 71 Ų | 71 | 52.6 Ų | 52.6 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.4 | -30 | -177.9 | -28.2 | 35.3 | 0 | 0 | 0 | 115 | ||
| 2467 | L | 48.9 | Very low | 59.8 | Low | 66 Ų | 66 | 48.8 Ų | 48.8 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -73.2 | -43 | 178.9 | -165.9 | 59.7 | 0 | 0 | 0 | 112.5 | P2465 R2469 L2470 T2471 E2499 | P2465-L2467 PolarHBondContact O-N 3.01Å; L2467-R2469 VanDerWaalsContact C-N 3.3Å; L2467-R2469 PolarHBondContact O-N 2.98Å; L2467-L2470 WeakPolarHBondContact O-CB 3.32Å; L2467-L2470 PolarHBondContact O-N 3.03Å; L2467-T2471 PolarHBondContact O-N 2.72Å; L2467-E2499 HydrophobicContact CD2-CB 3.81Å; L2467-E2499 HydrophobicContact CD2-CG 4.17Å; L2467-E2499 VanDerWaalsContact CD2-O 3.32Å; L2467-E2499 WeakPolarHBondContact CD2-O 3.39Å; L2467-E2499 HydrophobicContact CG-CB 4.3Å; L2467-E2499 HydrophobicContact CG-CG 4.46Å |
| 2468 | E | 59.4 | Low | 61.7 | Low | 75 Ų | 75 | 48.6 Ų | 48.6 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -32.1 | 177 | -77.9 | 175.5 | -144.4 | 0 | 0 | 112.4 | I2464 P2465 L2470 T2471 C2472 L2500 | I2464-E2468 HydrophobicContact CG2-CB 3.45Å; I2464-E2468 VanDerWaalsContact CG2-CB 3.45Å; P2465-E2468 PolarHBondContact O-N 3Å; E2468-L2470 VanDerWaalsContact C-N 3.34Å; E2468-L2470 PolarHBondContact O-N 3.37Å; E2468-T2471 CarbonylContact O-C 3.59Å; E2468-T2471 WeakPolarHBondContact O-CA 3.36Å; E2468-T2471 VanDerWaalsContact O-CB 3.31Å; E2468-T2471 WeakPolarHBondContact O-CB 3.42Å; E2468-T2471 PolarHBondContact O-N 3.04Å; E2468-C2472 PolarHBondContact O-N 3.47Å; E2468-L2500 HydrophobicContact CG-CD1 4.44Å |
| 2469 | R | 61.7 | Low | 63.5 | Low | 48 Ų | 48 | 49.4 Ų | 49.4 | 18% | 0.181 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.5 | -59 | -179.7 | -162.9 | 167.4 | -4.7 | 112.1 | C2395 T2462 I2464 P2465 L2467 T2471 C2472 I2473 | C2395-R2469 WeakPolarHBondContact O-CD 3.46Å; C2395-R2469 VanDerWaalsContact SG-CZ 3.55Å; C2395-R2469 PolarHBondContact SG-NH1 2.8Å; T2462-R2469 PolarHBondContact O-NH2 3.41Å; I2464-R2469 HydrophobicContact CB-CG 4.01Å; I2464-R2469 HydrophobicContact CG2-CG 3.6Å; I2464-R2469 PolarHBondContact O-NE 3.22Å; I2464-R2469 PolarHBondContact O-NH2 2.89Å; P2465-R2469 PolarHBondContact O-N 2.91Å; L2467-R2469 VanDerWaalsContact C-N 3.3Å; L2467-R2469 PolarHBondContact O-N 2.98Å; R2469-T2471 VanDerWaalsContact C-N 3.27Å; R2469-T2471 PolarHBondContact O-N 3.41Å; R2469-C2472 PolarHBondContact O-N 3.13Å; R2469-I2473 WeakPolarHBondContact O-CD1 3.25Å; R2469-I2473 WeakPolarHBondContact O-CG1 3.47Å; R2469-I2473 PolarHBondContact O-N 2.77Å; R2469-I2473 VanDerWaalsContact O-N 3.1Å |
| 2470 | L | 66.4 | Low | 65.8 | Low | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 172 | -77.3 | 160.2 | 0 | 0 | 0 | 111.1 | L2467 E2468 I2473 R2474 Y2532 | L2467-L2470 WeakPolarHBondContact O-CB 3.32Å; L2467-L2470 PolarHBondContact O-N 3.03Å; E2468-L2470 VanDerWaalsContact C-N 3.34Å; E2468-L2470 PolarHBondContact O-N 3.37Å; L2470-I2473 PolarHBondContact O-N 2.75Å; L2470-R2474 VanDerWaalsContact O-CG 3.27Å; L2470-R2474 WeakPolarHBondContact O-CG 3.47Å; L2470-R2474 PolarHBondContact O-N 2.76Å; L2470-Y2532 HydrophobicContact CD2-CD2 3.96Å; L2470-Y2532 HydrophobicContact CD2-CG 4.37Å |
| 2471 | T | 65.7 | Low | 67.9 | Low | 18 Ų | 18 | 40.6 Ų | 40.6 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 174.5 | -83.4 | 0 | 0 | 0 | 0 | 113.3 | L2467 E2468 R2469 I2473 R2474 F2475 L2496 | L2467-T2471 PolarHBondContact O-N 2.72Å; E2468-T2471 CarbonylContact O-C 3.59Å; E2468-T2471 WeakPolarHBondContact O-CA 3.36Å; E2468-T2471 VanDerWaalsContact O-CB 3.31Å; E2468-T2471 WeakPolarHBondContact O-CB 3.42Å; E2468-T2471 PolarHBondContact O-N 3.04Å; R2469-T2471 VanDerWaalsContact C-N 3.27Å; R2469-T2471 PolarHBondContact O-N 3.41Å; T2471-I2473 VanDerWaalsContact C-N 3.29Å; T2471-I2473 PolarHBondContact O-N 2.76Å; T2471-R2474 PolarHBondContact O-N 2.75Å; T2471-R2474 PolarHBondContact OG1-NH1 2.82Å; T2471-F2475 HydrophobicContact CG2-CD2 3.8Å; T2471-F2475 HydrophobicContact CG2-CE2 3.68Å; T2471-F2475 VanDerWaalsContact O-CD2 3.32Å; T2471-F2475 WeakPolarHBondContact O-CD2 3.41Å; T2471-F2475 PolarHBondContact O-N 2.86Å; T2471-L2496 HydrophobicContact CG2-CD2 3.45Å; T2471-L2496 VanDerWaalsContact CG2-CD2 3.45Å |
| 2472 | C | 70 | Confident | 69.7 | Low | 29 Ų | 29 | 43.6 Ų | 43.6 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -38.4 | 172.4 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | E2468 R2469 F2475 F2476 F2648 | E2468-C2472 PolarHBondContact O-N 3.47Å; R2469-C2472 PolarHBondContact O-N 3.13Å; C2472-F2475 PolarHBondContact O-N 3.26Å; C2472-F2476 PolarHBondContact O-N 2.88Å; C2472-F2648 WeakPolarHBondContact O-CZ 3.36Å |
| 2473 | I | 76.6 | Confident | 71.7 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -45.7 | 175.2 | -64.9 | 162.5 | 0 | 0 | 0 | 110.7 | L2396 R2469 L2470 T2471 F2475 F2476 Q2477 I2598 | L2396-I2473 WeakPolarHBondContact O-CD1 3.4Å; R2469-I2473 WeakPolarHBondContact O-CD1 3.25Å; R2469-I2473 WeakPolarHBondContact O-CG1 3.47Å; R2469-I2473 PolarHBondContact O-N 2.77Å; R2469-I2473 VanDerWaalsContact O-N 3.1Å; L2470-I2473 PolarHBondContact O-N 2.75Å; T2471-I2473 VanDerWaalsContact C-N 3.29Å; T2471-I2473 PolarHBondContact O-N 2.76Å; I2473-F2475 VanDerWaalsContact C-N 3.32Å; I2473-F2475 PolarHBondContact O-N 3.47Å; I2473-F2476 PolarHBondContact O-N 3.02Å; I2473-Q2477 WeakPolarHBondContact O-CG 3.4Å; I2473-Q2477 PolarHBondContact O-N 2.85Å; I2473-I2598 HydrophobicContact CD1-CD1 4.23Å; I2473-I2598 HydrophobicContact CG2-CD1 4.05Å; I2473-I2598 HydrophobicContact CG2-CG2 4.21Å |
| 2474 | R | 75.1 | Confident | 73.9 | Confident | 51 Ų | 51 | 38.5 Ų | 38.5 | 19% | 0.192 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.6 | -43.4 | 174.3 | -70.1 | 165.9 | -175.5 | 160.1 | -6.3 | 111.5 | L2470 T2471 Q2477 D2478 E2499 | L2470-R2474 VanDerWaalsContact O-CG 3.27Å; L2470-R2474 WeakPolarHBondContact O-CG 3.47Å; L2470-R2474 PolarHBondContact O-N 2.76Å; T2471-R2474 PolarHBondContact O-N 2.75Å; T2471-R2474 PolarHBondContact OG1-NH1 2.82Å; R2474-Q2477 PolarHBondContact O-N 2.91Å; R2474-D2478 PolarHBondContact O-N 2.98Å; R2474-E2499 IonicContact CZ-OE1 2.75Å; R2474-E2499 IonicContact NH1-OE1 2.98Å; R2474-E2499 PolarHBondContact NH1-OE1 2.64Å; R2474-E2499 IonicContact NH1-OE2 3.17Å; R2474-E2499 PolarHBondContact NH1-OE2 3.46Å; R2474-E2499 IonicContact NH2-OE1 2.82Å |
| 2475 | F | 79 | Confident | 75.7 | Confident | 105 Ų | 105 | 36.9 Ų | 36.9 | 46% | 0.461 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 175.7 | -85.8 | -60.1 | 0 | 0 | 0 | 113.1 | T2471 C2472 I2473 Q2477 D2478 S2479 L2496 F2648 | T2471-F2475 HydrophobicContact CG2-CD2 3.8Å; T2471-F2475 HydrophobicContact CG2-CE2 3.68Å; T2471-F2475 VanDerWaalsContact O-CD2 3.32Å; T2471-F2475 WeakPolarHBondContact O-CD2 3.41Å; T2471-F2475 PolarHBondContact O-N 2.86Å; C2472-F2475 PolarHBondContact O-N 3.26Å; I2473-F2475 VanDerWaalsContact C-N 3.32Å; I2473-F2475 PolarHBondContact O-N 3.47Å; F2475-Q2477 VanDerWaalsContact C-N 3.3Å; F2475-Q2477 PolarHBondContact O-N 2.83Å; F2475-D2478 PolarHBondContact O-N 3.02Å; F2475-S2479 PolarHBondContact O-N 3.47Å; F2475-L2496 HydrophobicContact CE1-CD1 4.41Å; F2475-L2496 HydrophobicContact CE2-CD1 3.89Å; F2475-L2496 HydrophobicContact CE2-CD2 4.49Å; F2475-L2496 HydrophobicContact CZ-CD1 3.44Å; F2475-L2496 VanDerWaalsContact CZ-CD1 3.44Å; F2475-F2648 HydrophobicContact CB-CE2 4.46Å |
| 2476 | F | 86 | Confident | 77.6 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 6% | 0.057 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -42 | 173.8 | 179.7 | -121.7 | 0 | 0 | 0 | 111.2 | L2358 C2472 I2473 S2479 I2480 L2641 L2644 F2645 F2648 | L2358-F2476 HydrophobicContact CD1-CE1 4.28Å; L2358-F2476 HydrophobicContact CD2-CE1 4.18Å; L2358-F2476 HydrophobicContact CD2-CZ 4.31Å; C2472-F2476 PolarHBondContact O-N 2.88Å; I2473-F2476 PolarHBondContact O-N 3.02Å; F2476-S2479 PolarHBondContact O-N 3.28Å; F2476-S2479 PolarHBondContact O-OG 3.5Å; F2476-I2480 HydrophobicContact CD1-CD1 4.12Å; F2476-I2480 HydrophobicContact CE1-CD1 3.68Å; F2476-I2480 HydrophobicContact CE2-CD1 4.3Å; F2476-I2480 HydrophobicContact CE2-CG1 4.46Å; F2476-I2480 HydrophobicContact CZ-CD1 3.78Å; F2476-I2480 HydrophobicContact CZ-CG1 4.36Å; F2476-I2480 PolarHBondContact O-N 3.47Å; F2476-I2480 VanDerWaalsContact O-N 3.1Å; F2476-L2641 HydrophobicContact CE1-CD1 4.44Å; F2476-L2641 HydrophobicContact CZ-CD1 4.03Å; F2476-L2644 HydrophobicContact CE2-CD2 4.13Å; F2476-L2644 HydrophobicContact CE2-CG 4.11Å; F2476-F2645 HydrophobicContact CD1-CD2 4.22Å; F2476-F2645 HydrophobicContact CD2-CD2 4.1Å; F2476-F2645 AromaticContact CE1-CD2 3.87Å; F2476-F2645 HydrophobicContact CE1-CD2 3.87Å; F2476-F2645 HydrophobicContact CE2-CB 4Å; F2476-F2645 AromaticContact CE2-CD2 3.76Å; F2476-F2645 HydrophobicContact CE2-CD2 3.76Å; F2476-F2645 HydrophobicContact CE2-CG 4.37Å; F2476-F2645 HydrophobicContact CG-CD2 4.33Å; F2476-F2645 HydrophobicContact CZ-CB 3.77Å; F2476-F2645 AromaticContact CZ-CD2 3.64Å; F2476-F2645 HydrophobicContact CZ-CD2 3.64Å; F2476-F2645 HydrophobicContact CZ-CG 4.12Å; F2476-F2648 HydrophobicContact CB-CD1 4.16Å; F2476-F2648 HydrophobicContact CB-CD2 4.44Å; F2476-F2648 HydrophobicContact CB-CE1 3.82Å; F2476-F2648 HydrophobicContact CB-CE2 4.13Å; F2476-F2648 HydrophobicContact CB-CG 4.46Å; F2476-F2648 HydrophobicContact CB-CZ 3.81Å; F2476-F2648 HydrophobicContact CD2-CB 3.94Å; F2476-F2648 AromaticContact CD2-CD1 3.87Å; F2476-F2648 HydrophobicContact CD2-CD1 3.87Å; F2476-F2648 HydrophobicContact CD2-CD2 4.13Å; F2476-F2648 HydrophobicContact CD2-CE1 4.41Å; F2476-F2648 AromaticContact CD2-CG 3.71Å; F2476-F2648 HydrophobicContact CD2-CG 3.71Å; F2476-F2648 HydrophobicContact CE2-CB 4.23Å; F2476-F2648 HydrophobicContact CE2-CG 4.46Å; F2476-F2648 HydrophobicContact CG-CD1 4.23Å; F2476-F2648 HydrophobicContact CG-CE1 4.37Å; F2476-F2648 HydrophobicContact CG-CG 4.44Å |
| 2477 | Q | 88.9 | Confident | 79.3 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64 | -45 | 176.7 | -70.1 | 176.9 | -75.7 | 0 | 0 | 112.6 | I2473 R2474 F2475 S2479 I2480 L2481 I2529 Y2532 G2599 Y2600 | I2473-Q2477 WeakPolarHBondContact O-CG 3.4Å; I2473-Q2477 PolarHBondContact O-N 2.85Å; R2474-Q2477 PolarHBondContact O-N 2.91Å; F2475-Q2477 VanDerWaalsContact C-N 3.3Å; F2475-Q2477 PolarHBondContact O-N 2.83Å; Q2477-S2479 VanDerWaalsContact C-N 3.29Å; Q2477-S2479 PolarHBondContact O-N 2.96Å; Q2477-I2480 WeakPolarHBondContact O-CB 3.49Å; Q2477-I2480 PolarHBondContact O-N 3.11Å; Q2477-L2481 WeakPolarHBondContact O-CG 2.99Å; Q2477-L2481 PolarHBondContact O-N 3.25Å; Q2477-I2529 HydrophobicContact CB-CD1 3.69Å; Q2477-I2529 HydrophobicContact CB-CG1 4.23Å; Q2477-Y2532 PolarHBondContact NE2-OH 2.72Å; Q2477-G2599 PolarHBondContact NE2-O 2.78Å; Q2477-G2599 VanDerWaalsContact NE2-O 3.16Å; Q2477-Y2600 VanDerWaalsContact CA-OH 3.3Å; Q2477-Y2600 WeakPolarHBondContact CA-OH 3.36Å; Q2477-Y2600 HydrophobicContact CB-CE1 3.9Å; Q2477-Y2600 WeakPolarHBondContact CB-OH 3.45Å; Q2477-Y2600 HydrophobicContact CG-CE1 4.22Å; Q2477-Y2600 PolarHBondContact O-OH 3.4Å |
| 2478 | D | 83.9 | Confident | 81 | Confident | 23 Ų | 23 | 29 Ų | 29 | 12% | 0.123 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.8 | -39.5 | 173.5 | -174.3 | 69.5 | 0 | 0 | 0 | 111.8 | R2474 F2475 I2480 L2481 R2482 Y2518 | R2474-D2478 PolarHBondContact O-N 2.98Å; F2475-D2478 PolarHBondContact O-N 3.02Å; D2478-I2480 PolarHBondContact O-N 2.88Å; D2478-L2481 PolarHBondContact O-N 3.34Å; D2478-R2482 WeakPolarHBondContact O-CG 3.43Å; D2478-R2482 PolarHBondContact O-N 3.31Å; D2478-R2482 IonicContact OD1-CZ 2.8Å; D2478-R2482 IonicContact OD1-NE 3.89Å; D2478-R2482 IonicContact OD1-NH2 3.66Å; D2478-R2482 PolarHBondContact OD1-NH2 3.31Å; D2478-R2482 IonicContact OD2-CZ 3.94Å; D2478-R2482 IonicContact OD2-NE 3.77Å; D2478-R2482 PolarHBondContact OD2-NE 3.06Å; D2478-R2482 IonicContact OD2-NH2 3.72Å; D2478-R2482 PolarHBondContact OD2-NH2 3.16Å; D2478-Y2518 WeakPolarHBondContact OD1-CE1 3.33Å; D2478-Y2518 PolarHBondContact OD1-OH 3.12Å |
| 2479 | S | 84.4 | Confident | 81.9 | Confident | 32 Ų | 32 | 25.7 Ų | 25.7 | 22% | 0.224 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.1 | -34.6 | 176.9 | 83.8 | 0 | 0 | 0 | 0 | 113.6 | F2475 F2476 Q2477 | F2475-S2479 PolarHBondContact O-N 3.47Å; F2476-S2479 PolarHBondContact O-N 3.28Å; F2476-S2479 PolarHBondContact O-OG 3.5Å; Q2477-S2479 VanDerWaalsContact C-N 3.29Å; Q2477-S2479 PolarHBondContact O-N 2.96Å |
| 2480 | I | 92.1 | Very high | 82.1 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.5 | -49.1 | 170.8 | -70.9 | 164.6 | 0 | 0 | 0 | 109.7 | F2476 Q2477 D2478 R2482 R2483 F2484 Y2600 F2630 F2633 L2641 L2644 | F2476-I2480 HydrophobicContact CD1-CD1 4.12Å; F2476-I2480 HydrophobicContact CE1-CD1 3.68Å; F2476-I2480 HydrophobicContact CE2-CD1 4.3Å; F2476-I2480 HydrophobicContact CE2-CG1 4.46Å; F2476-I2480 HydrophobicContact CZ-CD1 3.78Å; F2476-I2480 HydrophobicContact CZ-CG1 4.36Å; F2476-I2480 PolarHBondContact O-N 3.47Å; F2476-I2480 VanDerWaalsContact O-N 3.1Å; Q2477-I2480 WeakPolarHBondContact O-CB 3.49Å; Q2477-I2480 PolarHBondContact O-N 3.11Å; D2478-I2480 PolarHBondContact O-N 2.88Å; I2480-R2482 PolarHBondContact O-N 3.36Å; I2480-R2483 PolarHBondContact O-N 3.29Å; I2480-F2484 HydrophobicContact CG2-CD2 4.28Å; I2480-F2484 HydrophobicContact CG2-CE2 4.45Å; I2480-F2484 PolarHBondContact O-N 2.94Å; I2480-Y2600 WeakPolarHBondContact CD1-OH 3.23Å; I2480-F2630 HydrophobicContact CG2-CE2 3.8Å; I2480-F2630 HydrophobicContact CG2-CZ 4.23Å; I2480-F2633 HydrophobicContact CD1-CE1 4.28Å; I2480-F2633 HydrophobicContact CG1-CE1 4.07Å; I2480-F2633 HydrophobicContact CG1-CZ 4.37Å; I2480-F2633 HydrophobicContact CG2-CD1 4.47Å; I2480-F2633 HydrophobicContact CG2-CE1 3.81Å; I2480-L2641 HydrophobicContact CD1-CD1 4.25Å; I2480-L2644 HydrophobicContact CB-CD2 4.47Å; I2480-L2644 HydrophobicContact CG1-CD2 3.47Å; I2480-L2644 VanDerWaalsContact CG1-CD2 3.47Å |
| 2481 | L | 91.5 | Very high | 81.5 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | -175.8 | -70 | -175.5 | 0 | 0 | 0 | 112.5 | Q2477 D2478 R2483 F2484 G2485 F2486 Y2518 T2527 I2529 Y2600 F2630 | Q2477-L2481 WeakPolarHBondContact O-CG 2.99Å; Q2477-L2481 PolarHBondContact O-N 3.25Å; D2478-L2481 PolarHBondContact O-N 3.34Å; L2481-R2483 PolarHBondContact O-N 3.44Å; L2481-F2484 CarbonylContact O-C 3.58Å; L2481-F2484 PolarHBondContact O-N 3.25Å; L2481-G2485 PolarHBondContact O-N 2.83Å; L2481-F2486 HydrophobicContact CB-CB 4.04Å; L2481-F2486 HydrophobicContact CD2-CD2 4.07Å; L2481-F2486 HydrophobicContact CD2-CG 4.42Å; L2481-F2486 WeakPolarHBondContact O-CB 3.22Å; L2481-F2486 PolarHBondContact O-N 3.1Å; L2481-Y2518 HydrophobicContact CD1-CD1 4.14Å; L2481-Y2518 HydrophobicContact CD1-CD2 3.56Å; L2481-Y2518 HydrophobicContact CD1-CE1 4.2Å; L2481-Y2518 HydrophobicContact CD1-CE2 3.64Å; L2481-Y2518 HydrophobicContact CD1-CG 3.83Å; L2481-T2527 HydrophobicContact CD1-CG2 4Å; L2481-T2527 HydrophobicContact CD2-CG2 3.57Å; L2481-T2527 HydrophobicContact CG-CG2 4.39Å; L2481-I2529 HydrophobicContact CD1-CD1 4.36Å; L2481-I2529 HydrophobicContact CD1-CG1 4.31Å; L2481-Y2600 HydrophobicContact CD1-CD1 4.18Å; L2481-Y2600 HydrophobicContact CD1-CE1 3.9Å; L2481-Y2600 HydrophobicContact CD2-CD1 3.94Å; L2481-Y2600 HydrophobicContact CD2-CE1 3.71Å; L2481-Y2600 HydrophobicContact CG-CD1 4.28Å; L2481-Y2600 HydrophobicContact CG-CE1 3.72Å; L2481-F2630 HydrophobicContact CD2-CE2 4.34Å; L2481-F2630 HydrophobicContact CD2-CZ 3.92Å |
| 2482 | R | 87 | Confident | 80.8 | Confident | 88 Ų | 88 | 25.4 Ų | 25.4 | 33% | 0.332 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -60.5 | -40.3 | 176.4 | -70.5 | 177.9 | -165.5 | -73.1 | -13.1 | 113.1 | Y1639 D2478 I2480 F2484 G2485 | Y1639-R2482 HydrophobicContact CD2-CB 4.45Å; Y1639-R2482 HydrophobicContact CE2-CB 4.29Å; Y1639-R2482 HydrophobicContact CE2-CG 4.46Å; D2478-R2482 WeakPolarHBondContact O-CG 3.43Å; D2478-R2482 PolarHBondContact O-N 3.31Å; D2478-R2482 IonicContact OD1-CZ 2.8Å; D2478-R2482 IonicContact OD1-NE 3.89Å; D2478-R2482 IonicContact OD1-NH2 3.66Å; D2478-R2482 PolarHBondContact OD1-NH2 3.31Å; D2478-R2482 IonicContact OD2-CZ 3.94Å; D2478-R2482 IonicContact OD2-NE 3.77Å; D2478-R2482 PolarHBondContact OD2-NE 3.06Å; D2478-R2482 IonicContact OD2-NH2 3.72Å; D2478-R2482 PolarHBondContact OD2-NH2 3.16Å; I2480-R2482 PolarHBondContact O-N 3.36Å; R2482-F2484 VanDerWaalsContact C-N 3.3Å; R2482-F2484 PolarHBondContact O-N 3.41Å; R2482-G2485 PolarHBondContact O-N 2.92Å |
| 2483 | R | 89.4 | Confident | 79.4 | Confident | 47 Ų | 47 | 28.2 Ų | 28.2 | 18% | 0.177 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.8 | -37.5 | 177.3 | -77 | -169.6 | 147.2 | -147.4 | -4.5 | 113.1 | D1633 V1634 Y1635 E1636 I2480 L2481 G2485 | D1633-R2483 CarbonylContact C-O 3.56Å; D1633-R2483 WeakPolarHBondContact CA-O 3.3Å; D1633-R2483 HydrophobicContact CB-CB 4.08Å; D1633-R2483 IonicContact OD2-NH1 3.74Å; D1633-R2483 PolarHBondContact OD2-NH1 3.43Å; V1634-R2483 PolarHBondContact N-O 3.24Å; Y1635-R2483 WeakPolarHBondContact CB-O 3.47Å; Y1635-R2483 PolarHBondContact N-O 2.87Å; E1636-R2483 HydrophobicContact CB-CG 4.32Å; E1636-R2483 IonicContact OE2-CZ 3.44Å; E1636-R2483 IonicContact OE2-NE 3.66Å; E1636-R2483 PolarHBondContact OE2-NE 3.48Å; E1636-R2483 IonicContact OE2-NH2 2.7Å; E1636-R2483 PolarHBondContact OE2-NH2 3.4Å; I2480-R2483 PolarHBondContact O-N 3.29Å; L2481-R2483 PolarHBondContact O-N 3.44Å; R2483-G2485 PolarHBondContact O-N 2.98Å |
| 2484 | F | 92.4 | Very high | 77.6 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 16.6 | 175.1 | -75 | -88.4 | 0 | 0 | 0 | 113.3 | C1632 D1633 I2480 L2481 R2482 F2486 H2520 F2630 F2633 | C1632-F2484 HydrophobicContact CB-CD1 3.95Å; C1632-F2484 HydrophobicContact CB-CE1 3.92Å; D1633-F2484 HydrophobicContact CB-CD1 4.42Å; D1633-F2484 HydrophobicContact CB-CD2 4.07Å; D1633-F2484 HydrophobicContact CB-CE1 4.12Å; D1633-F2484 HydrophobicContact CB-CE2 3.74Å; D1633-F2484 HydrophobicContact CB-CG 4.41Å; D1633-F2484 HydrophobicContact CB-CZ 3.78Å; I2480-F2484 HydrophobicContact CG2-CD2 4.28Å; I2480-F2484 HydrophobicContact CG2-CE2 4.45Å; I2480-F2484 PolarHBondContact O-N 2.94Å; L2481-F2484 CarbonylContact O-C 3.58Å; L2481-F2484 PolarHBondContact O-N 3.25Å; R2482-F2484 VanDerWaalsContact C-N 3.3Å; R2482-F2484 PolarHBondContact O-N 3.41Å; F2484-F2486 HydrophobicContact CB-CD2 3.91Å; F2484-F2486 HydrophobicContact CB-CE2 3.93Å; F2484-H2520 PolarHBondContact O-CD2 2.96Å; F2484-H2520 PolarHBondContact O-NE2 2.94Å; F2484-F2630 HydrophobicContact CB-CD2 4.32Å; F2484-F2630 HydrophobicContact CB-CE2 4.42Å; F2484-F2630 AromaticContact CD1-CD2 3.84Å; F2484-F2630 HydrophobicContact CD1-CD2 3.84Å; F2484-F2630 AromaticContact CD2-CD2 3.59Å; F2484-F2630 HydrophobicContact CD2-CD2 3.59Å; F2484-F2630 AromaticContact CD2-CE2 3.7Å; F2484-F2630 HydrophobicContact CD2-CE2 3.7Å; F2484-F2630 HydrophobicContact CE1-CB 4.34Å; F2484-F2630 AromaticContact CE1-CD2 3.94Å; F2484-F2630 HydrophobicContact CE1-CD2 3.94Å; F2484-F2630 AromaticContact CE2-CD2 3.7Å; F2484-F2630 HydrophobicContact CE2-CD2 3.7Å; F2484-F2630 HydrophobicContact CE2-CE2 4.04Å; F2484-F2630 AromaticContact CG-CD2 3.66Å; F2484-F2630 HydrophobicContact CG-CD2 3.66Å; F2484-F2630 HydrophobicContact CG-CE2 4.03Å; F2484-F2630 AromaticContact CZ-CD2 3.87Å; F2484-F2630 HydrophobicContact CZ-CD2 3.87Å; F2484-F2633 HydrophobicContact CE2-CB 4.35Å; F2484-F2633 AromaticContact CE2-CD1 3.79Å; F2484-F2633 HydrophobicContact CE2-CD1 3.79Å; F2484-F2633 HydrophobicContact CE2-CD2 4.03Å; F2484-F2633 HydrophobicContact CE2-CE1 4.09Å; F2484-F2633 HydrophobicContact CE2-CE2 4.29Å; F2484-F2633 AromaticContact CE2-CG 3.79Å; F2484-F2633 HydrophobicContact CE2-CG 3.79Å; F2484-F2633 HydrophobicContact CE2-CZ 4.34Å; F2484-F2633 HydrophobicContact CZ-CB 3.81Å; F2484-F2633 HydrophobicContact CZ-CD1 4.14Å; F2484-F2633 AromaticContact CZ-CD2 3.99Å; F2484-F2633 HydrophobicContact CZ-CD2 3.99Å; F2484-F2633 AromaticContact CZ-CG 3.71Å; F2484-F2633 HydrophobicContact CZ-CG 3.71Å |
| 2485 | G | 88.7 | Confident | 75.9 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 18.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y1635 L2481 R2482 R2483 H2520 C2521 | Y1635-G2485 VanDerWaalsContact CD2-CA 3.48Å; L2481-G2485 PolarHBondContact O-N 2.83Å; R2482-G2485 PolarHBondContact O-N 2.92Å; R2483-G2485 PolarHBondContact O-N 2.98Å; G2485-H2520 CarbonylContact O-C 3.54Å; G2485-C2521 WeakPolarHBondContact O-CB 3.45Å; G2485-C2521 PolarHBondContact O-N 3.28Å |
| 2486 | F | 91.3 | Very high | 73.8 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 141.9 | 177.7 | -69.4 | -86 | 0 | 0 | 0 | 112.8 | Y1639 L2481 F2484 V2519 H2520 I2525 T2527 W2602 | Y1639-F2486 VanDerWaalsContact OH-C 3.3Å; Y1639-F2486 PolarHBondContact OH-O 2.92Å; L2481-F2486 HydrophobicContact CB-CB 4.04Å; L2481-F2486 HydrophobicContact CD2-CD2 4.07Å; L2481-F2486 HydrophobicContact CD2-CG 4.42Å; L2481-F2486 WeakPolarHBondContact O-CB 3.22Å; L2481-F2486 PolarHBondContact O-N 3.1Å; F2484-F2486 HydrophobicContact CB-CD2 3.91Å; F2484-F2486 HydrophobicContact CB-CE2 3.93Å; F2486-V2519 WeakPolarHBondContact CA-O 3.46Å; F2486-H2520 HydrophobicContact CD1-CB 3.87Å; F2486-H2520 HydrophobicContact CE1-CB 3.71Å; F2486-H2520 HydrophobicContact CZ-CB 4.29Å; F2486-I2525 HydrophobicContact CE1-CB 4.21Å; F2486-I2525 HydrophobicContact CE1-CG2 3.95Å; F2486-I2525 HydrophobicContact CZ-CB 4.48Å; F2486-I2525 HydrophobicContact CZ-CG2 3.98Å; F2486-T2527 HydrophobicContact CB-CG2 4.37Å; F2486-T2527 HydrophobicContact CD1-CG2 3.33Å; F2486-T2527 HydrophobicContact CD2-CG2 4.19Å; F2486-T2527 HydrophobicContact CE1-CG2 3.46Å; F2486-T2527 VanDerWaalsContact CE1-CG2 3.46Å; F2486-T2527 HydrophobicContact CE2-CG2 4.3Å; F2486-T2527 HydrophobicContact CG-CG2 3.72Å; F2486-T2527 HydrophobicContact CZ-CG2 3.96Å; F2486-W2602 HydrophobicContact CE2-CZ3 4.16Å; F2486-W2602 HydrophobicContact CZ-CE3 4.37Å; F2486-W2602 AromaticContact CZ-CH2 3.99Å; F2486-W2602 HydrophobicContact CZ-CH2 3.99Å; F2486-W2602 AromaticContact CZ-CZ3 3.69Å; F2486-W2602 HydrophobicContact CZ-CZ3 3.69Å |
| 2487 | I | 87.7 | Confident | 71.1 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 145.1 | -177.2 | -53.4 | 160.3 | 0 | 0 | 0 | 107.9 | I1606 F1609 Y1639 C2290 Y2518 V2519 C2521 | I1606-I2487 HydrophobicContact CB-CD1 3.97Å; I1606-I2487 HydrophobicContact CD1-CD1 4.02Å; I1606-I2487 HydrophobicContact CG1-CD1 4.49Å; I1606-I2487 HydrophobicContact CG2-CD1 4.02Å; F1609-I2487 HydrophobicContact CE2-CD1 4.2Å; Y1639-I2487 WeakPolarHBondContact OH-CA 3.24Å; Y1639-I2487 WeakPolarHBondContact OH-CG1 3.43Å; C2290-I2487 VanDerWaalsContact C-CG2 3.47Å; I2487-Y2518 CarbonylContact O-C 3.49Å; I2487-Y2518 WeakPolarHBondContact O-CA 3.39Å; I2487-Y2518 WeakPolarHBondContact O-CB 3.03Å; I2487-V2519 HydrophobicContact CB-CG1 4.35Å; I2487-V2519 PolarHBondContact N-O 2.98Å; I2487-V2519 PolarHBondContact O-N 2.83Å; I2487-C2521 HydrophobicContact CD1-CB 4.27Å |
| 2488 | N | 84.8 | Confident | 68.5 | Low | 27 Ų | 27 | 42.7 Ų | 42.7 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 140.9 | 176.7 | -164.5 | -49.3 | 0 | 0 | 0 | 111.4 | A2291 S2490 Q2515 I2517 Y2518 | A2291-N2488 PolarHBondContact N-O 2.81Å; N2488-S2490 VanDerWaalsContact C-N 3.29Å; N2488-S2490 PolarHBondContact OD1-N 3.16Å; N2488-S2490 PolarHBondContact OD1-O 2.86Å; N2488-S2490 PolarHBondContact OD1-OG 3.27Å; N2488-Q2515 PolarHBondContact ND2-O 2.96Å; N2488-I2517 PolarHBondContact OD1-O 3.12Å; N2488-Y2518 HydrophobicContact CB-CD1 4.24Å; N2488-Y2518 HydrophobicContact CB-CE1 4.22Å |
| 2489 | D | 77.7 | Confident | 65.9 | Low | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -63.7 | -33.7 | 173.7 | 177.8 | -38.2 | 0 | 0 | 0 | 111.6 | R1602 F1604 I2517 | R1602-D2489 IonicContact CZ-OD1 2.76Å; R1602-D2489 IonicContact CZ-OD2 3.66Å; R1602-D2489 IonicContact NH1-OD1 2.71Å; R1602-D2489 PolarHBondContact NH1-OD1 3.3Å; R1602-D2489 IonicContact NH1-OD2 3.7Å; R1602-D2489 PolarHBondContact NH1-OD2 3.19Å; R1602-D2489 IonicContact NH2-OD1 2.86Å; R1602-D2489 PolarHBondContact NH2-OD1 3.42Å; R1602-D2489 IonicContact NH2-OD2 3.89Å; F1604-D2489 HydrophobicContact CZ-CB 4.24Å; F1604-D2489 VanDerWaalsContact CZ-CG 3.45Å; F1604-D2489 WeakPolarHBondContact CZ-OD2 3.43Å; D2489-I2517 HydrophobicContact CB-CB 3.96Å; D2489-I2517 HydrophobicContact CB-CG2 3.73Å; D2489-I2517 WeakPolarHBondContact CB-O 3.4Å; D2489-I2517 PolarHBondContact N-O 2.96Å |
| 2490 | S | 65.5 | Low | 63.3 | Low | 20 Ų | 20 | 49.1 Ų | 49.1 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | trans | -106.7 | 149.1 | -170.1 | 70.8 | 0 | 0 | 0 | 0 | 114.5 | C2290 N2488 | C2290-S2490 WeakPolarHBondContact CB-O 3.12Å; C2290-S2490 PolarHBondContact SG-O 3.38Å; N2488-S2490 VanDerWaalsContact C-N 3.29Å; N2488-S2490 PolarHBondContact OD1-N 3.16Å; N2488-S2490 PolarHBondContact OD1-O 2.86Å; N2488-S2490 PolarHBondContact OD1-OG 3.27Å | ||
| 2491 | C | 54.7 | Low | 60 | Low | 10 Ų | 10 | 56.7 Ų | 56.7 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -89.5 | -2 | 176.8 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | Y2287 K2493 | Y2287-C2491 HydrophobicContact CD2-CB 3.57Å; Y2287-C2491 HydrophobicContact CE2-CB 3.79Å; Y2287-C2491 WeakPolarHBondContact CE2-O 3.48Å; C2491-K2493 PolarHBondContact O-N 2.91Å |
| 2492 | V | 50.3 | Low | 56.9 | Low | 56 Ų | 56 | 60 Ų | 60 | 34% | 0.339 | 30% | 0.302 | S | S | . | . | trans | -94.3 | 97.4 | -176.3 | -176 | 0 | 0 | 0 | 0 | 109.7 | L2258 | L2258-V2492 HydrophobicContact CD1-CG2 4.01Å; L2258-V2492 HydrophobicContact CD2-CG2 3.88Å | ||
| 2493 | K | 40.5 | Very low | 54 | Low | 88 Ų | 88 | 66 Ų | 66 | 38% | 0.383 | 33% | 0.325 | S | S | . | . | trans | -93.3 | -26.9 | -176.4 | -156.9 | -169.2 | 174.4 | -150.3 | 0 | 112.8 | Y2134 E2138 C2491 R2495 | Y2134-K2493 WeakPolarHBondContact OH-CD 3.33Å; E2138-K2493 IonicContact OE1-NZ 3.47Å; E2138-K2493 PolarHBondContact OE1-NZ 2.84Å; E2138-K2493 IonicContact OE2-NZ 3.89Å; E2138-K2493 PolarHBondContact OE2-NZ 3.25Å; C2491-K2493 PolarHBondContact O-N 2.91Å; K2493-R2495 PolarHBondContact O-N 3.16Å | ||
| 2494 | D | 38.6 | Very low | 50.8 | Low | 50 Ų | 50 | 71.9 Ų | 71.9 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | trans | -99.7 | 83.8 | -158.6 | -40.2 | -64.4 | 0 | 0 | 0 | 111.7 | ||||
| 2495 | R | 38.6 | Very low | 47.6 | Very low | 105 Ų | 105 | 76.2 Ų | 76.2 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | trans | -143.7 | 6.4 | 175.7 | -84.6 | -160.1 | 171.1 | -172.3 | -4.2 | 116.4 | K2493 Y2498 | K2493-R2495 PolarHBondContact O-N 3.16Å; R2495-Y2498 PolarHBondContact O-N 2.86Å | ||
| 2496 | L | 35.4 | Very low | 44.5 | Very low | 80 Ų | 80 | 85.6 Ų | 85.6 | 42% | 0.419 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -39.6 | 179.7 | -88.4 | 161 | 0 | 0 | 0 | 112.7 | T2471 F2475 Y2498 E2499 | T2471-L2496 HydrophobicContact CG2-CD2 3.45Å; T2471-L2496 VanDerWaalsContact CG2-CD2 3.45Å; F2475-L2496 HydrophobicContact CE1-CD1 4.41Å; F2475-L2496 HydrophobicContact CE2-CD1 3.89Å; F2475-L2496 HydrophobicContact CE2-CD2 4.49Å; F2475-L2496 HydrophobicContact CZ-CD1 3.44Å; F2475-L2496 VanDerWaalsContact CZ-CD1 3.44Å; L2496-Y2498 PolarHBondContact O-N 3Å; L2496-E2499 PolarHBondContact O-N 2.8Å |
| 2497 | D | 30.3 | Very low | 41.2 | Very low | 135 Ų | 135 | 89.5 Ų | 89.5 | 72% | 0.722 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.9 | 179.2 | -48 | -68.4 | 0 | 0 | 0 | 113 | L2500 | D2497-L2500 PolarHBondContact O-N 3.39Š|
| 2498 | Y | 33.7 | Very low | 38.2 | Very low | 124 Ų | 124 | 92.7 Ų | 92.7 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -23.8 | 179.7 | -101 | -74.4 | 0 | 0 | 0 | 114.3 | T2237 R2495 L2496 L2500 | T2237-Y2498 HydrophobicContact CG2-CE2 3.87Å; T2237-Y2498 WeakPolarHBondContact CG2-OH 3.5Å; R2495-Y2498 PolarHBondContact O-N 2.86Å; L2496-Y2498 PolarHBondContact O-N 3Å; Y2498-L2500 PolarHBondContact O-N 3.17Å |
| 2499 | E | 29.6 | Very low | 35.5 | Very low | 78 Ų | 78 | 94 Ų | 94 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -73.1 | -17 | 174.4 | -91.2 | -177.5 | 168.6 | 0 | 0 | 111.6 | L2467 R2474 L2496 | L2467-E2499 HydrophobicContact CD2-CB 3.81Å; L2467-E2499 HydrophobicContact CD2-CG 4.17Å; L2467-E2499 VanDerWaalsContact CD2-O 3.32Å; L2467-E2499 WeakPolarHBondContact CD2-O 3.39Å; L2467-E2499 HydrophobicContact CG-CB 4.3Å; L2467-E2499 HydrophobicContact CG-CG 4.46Å; R2474-E2499 IonicContact CZ-OE1 2.75Å; R2474-E2499 IonicContact NH1-OE1 2.98Å; R2474-E2499 PolarHBondContact NH1-OE1 2.64Å; R2474-E2499 IonicContact NH1-OE2 3.17Å; R2474-E2499 PolarHBondContact NH1-OE2 3.46Å; R2474-E2499 IonicContact NH2-OE1 2.82Å; L2496-E2499 PolarHBondContact O-N 2.8Å |
| 2500 | L | 29.5 | Very low | 33.1 | Very low | 112 Ų | 112 | 99.2 Ų | 99.2 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -88.6 | -21.5 | -178.8 | -125.8 | 72.1 | 0 | 0 | 0 | 114.9 | E2468 D2497 Y2498 | E2468-L2500 HydrophobicContact CG-CD1 4.44Å; D2497-L2500 PolarHBondContact O-N 3.39Å; Y2498-L2500 PolarHBondContact O-N 3.17Å |
| 2501 | H | 23.8 | Very low | 31.4 | Very low | 160 Ų | 160 | 101.1 Ų | 101.1 | 74% | 0.741 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -137.7 | 89.8 | -170.3 | -80 | 9.1 | 0 | 0 | 0 | 113.3 | ||
| 2502 | G | 26.1 | Very low | 30.7 | Very low | 69 Ų | 69 | 103.9 Ų | 103.9 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | trans | 150.6 | 84.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | L2504 | G2502-L2504 PolarHBondContact O-N 2.79Š| ||
| 2503 | R | 24.4 | Very low | 30.3 | Very low | 214 Ų | 214 | 103.4 Ų | 103.4 | 81% | 0.808 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | 22.1 | 177.2 | -130.6 | -179.1 | -164.1 | -167.8 | 5.9 | 114.9 | E2536 | R2503-E2536 IonicContact NH2-OE2 3.68Š|
| 2504 | L | 23.9 | Very low | 30.7 | Very low | 171 Ų | 171 | 103.9 Ų | 103.9 | 90% | 0.895 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | 20 | -160.1 | -72.9 | 178.6 | 0 | 0 | 0 | 117.3 | G2502 | G2502-L2504 PolarHBondContact O-N 2.79Š|
| 2505 | A | 23.6 | Very low | 31.4 | Very low | 90 Ų | 90 | 103.7 Ų | 103.7 | 74% | 0.744 | 55% | 0.551 | S | S | * | * | trans | -129.4 | 62.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S2507 | A2505-S2507 PolarHBondContact O-N 2.99Š| ||
| 2506 | F | 23.7 | Very low | 32.9 | Very low | 199 Ų | 199 | 100.7 Ų | 100.7 | 87% | 0.873 | 54% | 0.54 | S | S | * | . | trans | -94.1 | 82.4 | 179.8 | -81.3 | -84.7 | 0 | 0 | 0 | 113.9 | ||||
| 2507 | S | 22.5 | Very low | 35.2 | Very low | 83 Ų | 83 | 97.8 Ų | 97.8 | 58% | 0.58 | 52% | 0.524 | S | S | * | . | trans | -168.7 | 50.3 | 159.3 | 67.9 | 0 | 0 | 0 | 0 | 116.1 | A2505 | A2505-S2507 PolarHBondContact O-N 2.99Š| ||
| 2508 | S | 26 | Very low | 38 | Very low | 71 Ų | 71 | 91.9 Ų | 91.9 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | trans | -154 | 65 | 173.5 | 71.4 | 0 | 0 | 0 | 0 | 115 | F2251 C2510 | F2251-S2508 VanDerWaalsContact CD1-CB 3.47Å; S2508-C2510 PolarHBondContact O-N 3.22Å | ||
| 2509 | S | 26.3 | Very low | 40.7 | Very low | 56 Ų | 56 | 86 Ų | 86 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | trans | -87.1 | 103.9 | -179.9 | 31.4 | 0 | 0 | 0 | 0 | 112.8 | C2587 | S2509-C2587 WeakPolarHBondContact O-CB 3.03Å; S2509-C2587 PolarHBondContact OG-SG 3.35Å | ||
| 2510 | C | 28.1 | Very low | 43.7 | Very low | 112 Ų | 112 | 82.3 Ų | 82.3 | 76% | 0.757 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -164.8 | -41.4 | 158.5 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | S2508 S2512 | S2508-C2510 PolarHBondContact O-N 3.22Å; C2510-S2512 VanDerWaalsContact C-N 3.28Å; C2510-S2512 PolarHBondContact O-N 3.15Å; C2510-S2512 VanDerWaalsContact O-N 3.15Å |
| 2511 | F | 30.7 | Very low | 46.5 | Very low | 60 Ų | 60 | 77.3 Ų | 77.3 | 26% | 0.263 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -65.3 | -17.4 | -173.4 | -83.9 | -86.3 | 0 | 0 | 0 | 116.6 | I2254 D2255 L2258 Q2513 | I2254-F2511 HydrophobicContact CB-CE2 3.94Å; I2254-F2511 HydrophobicContact CB-CZ 4.18Å; I2254-F2511 HydrophobicContact CG2-CD2 4.34Å; I2254-F2511 HydrophobicContact CG2-CE1 4.35Å; I2254-F2511 HydrophobicContact CG2-CE2 3.73Å; I2254-F2511 HydrophobicContact CG2-CZ 3.74Å; D2255-F2511 HydrophobicContact CB-CZ 4.13Å; D2255-F2511 WeakPolarHBondContact OD1-CZ 3.35Å; L2258-F2511 HydrophobicContact CD1-CD1 4.45Å; L2258-F2511 HydrophobicContact CD1-CE1 3.94Å; F2511-Q2513 VanDerWaalsContact C-N 3.29Å; F2511-Q2513 PolarHBondContact O-N 3.08Å; F2511-Q2513 VanDerWaalsContact O-N 3.17Å |
| 2512 | S | 38.7 | Very low | 49.5 | Very low | 69 Ų | 69 | 69.7 Ų | 69.7 | 48% | 0.483 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -71.3 | -12.4 | -164.2 | -163.4 | 0 | 0 | 0 | 0 | 115.9 | C2510 Q2515 | C2510-S2512 VanDerWaalsContact C-N 3.28Å; C2510-S2512 PolarHBondContact O-N 3.15Å; C2510-S2512 VanDerWaalsContact O-N 3.15Å; S2512-Q2515 PolarHBondContact O-OE1 3.42Å; S2512-Q2515 VanDerWaalsContact O-OE1 3.05Å |
| 2513 | Q | 42.9 | Very low | 52.4 | Low | 46 Ų | 46 | 66.4 Ų | 66.4 | 22% | 0.215 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -116.6 | -5.1 | -168 | -75.7 | 171 | 5.3 | 0 | 0 | 115.6 | F2511 N2590 C2591 | F2511-Q2513 VanDerWaalsContact C-N 3.29Å; F2511-Q2513 PolarHBondContact O-N 3.08Å; F2511-Q2513 VanDerWaalsContact O-N 3.17Å; Q2513-N2590 PolarHBondContact NE2-OD1 2.87Å; Q2513-C2591 VanDerWaalsContact OE1-CB 3.28Å; Q2513-C2591 PolarHBondContact OE1-SG 3.41Å |
| 2514 | K | 47.9 | Very low | 55.4 | Low | 97 Ų | 97 | 56.2 Ų | 56.2 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -71.3 | -21.1 | 164.9 | -83.8 | -177.3 | 178.7 | 170.1 | 0 | 113 | W2516 I2517 | K2514-W2516 PolarHBondContact O-N 3.04Å; K2514-W2516 VanDerWaalsContact O-N 3.11Å; K2514-I2517 PolarHBondContact O-N 3.5Å |
| 2515 | Q | 53.6 | Low | 58.6 | Low | 47 Ų | 47 | 48 Ų | 48 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.3 | -164.2 | -60 | -176.7 | -66 | 0 | 0 | 114.8 | N2488 S2512 | N2488-Q2515 PolarHBondContact ND2-O 2.96Å; S2512-Q2515 PolarHBondContact O-OE1 3.42Å; S2512-Q2515 VanDerWaalsContact O-OE1 3.05Å |
| 2516 | W | 69.9 | Low | 61.8 | Low | 42 Ų | 42 | 43.8 Ų | 43.8 | 16% | 0.159 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123 | 28.6 | -175.1 | -41 | -45.8 | 0 | 0 | 0 | 113.3 | K2514 Y2518 M2528 I2529 | K2514-W2516 PolarHBondContact O-N 3.04Å; K2514-W2516 VanDerWaalsContact O-N 3.11Å; W2516-Y2518 HydrophobicContact CB-CE2 4.32Å; W2516-Y2518 VanDerWaalsContact O-CD2 3.26Å; W2516-Y2518 WeakPolarHBondContact O-CD2 3.24Å; W2516-Y2518 WeakPolarHBondContact O-CE2 3.3Å; W2516-M2528 VanDerWaalsContact O-CA 3.29Å; W2516-M2528 WeakPolarHBondContact O-CA 3.48Å; W2516-M2528 WeakPolarHBondContact O-CG 3.26Å; W2516-I2529 HydrophobicContact CB-CB 3.91Å; W2516-I2529 HydrophobicContact CB-CG1 4.5Å; W2516-I2529 HydrophobicContact CG-CB 4.49Å; W2516-I2529 PolarHBondContact O-N 3.37Å |
| 2517 | I | 83.3 | Confident | 65 | Low | 18 Ų | 18 | 34.3 Ų | 34.3 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.8 | 168.7 | -64.4 | 175.1 | 0 | 0 | 0 | 109.3 | F2332 N2488 D2489 K2514 M2528 | F2332-I2517 HydrophobicContact CD2-CD1 4.39Å; F2332-I2517 HydrophobicContact CD2-CG1 4.44Å; F2332-I2517 HydrophobicContact CE2-CB 4.47Å; F2332-I2517 HydrophobicContact CE2-CD1 4.35Å; F2332-I2517 HydrophobicContact CE2-CG1 4.04Å; F2332-I2517 HydrophobicContact CE2-CG2 3.83Å; N2488-I2517 PolarHBondContact OD1-O 3.12Å; D2489-I2517 HydrophobicContact CB-CB 3.96Å; D2489-I2517 HydrophobicContact CB-CG2 3.73Å; D2489-I2517 WeakPolarHBondContact CB-O 3.4Å; D2489-I2517 PolarHBondContact N-O 2.96Å; K2514-I2517 PolarHBondContact O-N 3.5Å; I2517-M2528 HydrophobicContact CD1-SD 4.42Å; I2517-M2528 HydrophobicContact CG1-CB 4.39Å; I2517-M2528 HydrophobicContact CG1-CG 3.93Å; I2517-M2528 HydrophobicContact CG1-SD 3.88Å |
| 2518 | Y | 89.8 | Confident | 68.1 | Low | 12 Ų | 12 | 31.1 Ų | 31.1 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149 | -179.7 | -61.7 | -103.2 | 0 | 0 | 0 | 111.6 | D2478 L2481 I2487 N2488 W2516 F2526 T2527 I2529 | D2478-Y2518 WeakPolarHBondContact OD1-CE1 3.33Å; D2478-Y2518 PolarHBondContact OD1-OH 3.12Å; L2481-Y2518 HydrophobicContact CD1-CD1 4.14Å; L2481-Y2518 HydrophobicContact CD1-CD2 3.56Å; L2481-Y2518 HydrophobicContact CD1-CE1 4.2Å; L2481-Y2518 HydrophobicContact CD1-CE2 3.64Å; L2481-Y2518 HydrophobicContact CD1-CG 3.83Å; I2487-Y2518 CarbonylContact O-C 3.49Å; I2487-Y2518 WeakPolarHBondContact O-CA 3.39Å; I2487-Y2518 WeakPolarHBondContact O-CB 3.03Å; N2488-Y2518 HydrophobicContact CB-CD1 4.24Å; N2488-Y2518 HydrophobicContact CB-CE1 4.22Å; W2516-Y2518 HydrophobicContact CB-CE2 4.32Å; W2516-Y2518 VanDerWaalsContact O-CD2 3.26Å; W2516-Y2518 WeakPolarHBondContact O-CD2 3.24Å; W2516-Y2518 WeakPolarHBondContact O-CE2 3.3Å; Y2518-F2526 CarbonylContact O-C 3.58Å; Y2518-F2526 VanDerWaalsContact O-CA 3.27Å; Y2518-F2526 WeakPolarHBondContact O-CA 3.31Å; Y2518-T2527 PolarHBondContact N-O 2.82Å; Y2518-T2527 PolarHBondContact O-N 3.29Å; Y2518-I2529 HydrophobicContact CE2-CD1 3.97Å; Y2518-I2529 HydrophobicContact CE2-CG1 4.26Å |
| 2519 | V | 90.7 | Very high | 71 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.8 | 175.2 | 64.4 | 0 | 0 | 0 | 0 | 110.1 | F1604 A2291 F2325 F2486 I2487 F2526 | F1604-V2519 HydrophobicContact CD2-CB 4.31Å; F1604-V2519 HydrophobicContact CD2-CG1 4Å; F1604-V2519 HydrophobicContact CD2-CG2 4.26Å; F1604-V2519 HydrophobicContact CE2-CB 4.21Å; F1604-V2519 HydrophobicContact CE2-CG1 4.14Å; F1604-V2519 HydrophobicContact CE2-CG2 4.47Å; A2291-V2519 HydrophobicContact CB-CG1 4.12Å; F2325-V2519 HydrophobicContact CE2-CG2 4.04Å; F2325-V2519 HydrophobicContact CZ-CG2 3.86Å; F2486-V2519 WeakPolarHBondContact CA-O 3.46Å; I2487-V2519 HydrophobicContact CB-CG1 4.35Å; I2487-V2519 PolarHBondContact N-O 2.98Å; I2487-V2519 PolarHBondContact O-N 2.83Å; V2519-F2526 HydrophobicContact CB-CD1 3.82Å; V2519-F2526 HydrophobicContact CB-CE1 3.86Å; V2519-F2526 HydrophobicContact CG2-CD1 3.79Å; V2519-F2526 HydrophobicContact CG2-CE1 3.52Å; V2519-F2526 HydrophobicContact CG2-CZ 4.44Å |
| 2520 | H | 92.3 | Very high | 73.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 151.5 | 175.7 | -177.4 | -109.1 | 0 | 0 | 0 | 111.1 | Y1635 F2484 G2485 F2486 S2522 G2523 I2525 F2622 M2626 | Y1635-H2520 AromaticContact CE2-NE2 3.72Å; Y1635-H2520 AromaticContact CZ-NE2 3.81Å; F2484-H2520 PolarHBondContact O-CD2 2.96Å; F2484-H2520 PolarHBondContact O-NE2 2.94Å; G2485-H2520 CarbonylContact O-C 3.54Å; F2486-H2520 HydrophobicContact CD1-CB 3.87Å; F2486-H2520 HydrophobicContact CE1-CB 3.71Å; F2486-H2520 HydrophobicContact CZ-CB 4.29Å; H2520-S2522 WeakPolarHBondContact ND1-CB 3.17Å; H2520-S2522 PolarHBondContact ND1-N 3.41Å; H2520-S2522 VanDerWaalsContact ND1-N 3.17Å; H2520-S2522 PolarHBondContact ND1-OG 3.35Å; H2520-S2522 PolarHBondContact O-N 3.4Å; H2520-G2523 WeakPolarHBondContact O-CA 3.45Å; H2520-G2523 PolarHBondContact O-N 3.47Å; H2520-I2525 HydrophobicContact CB-CB 3.82Å; H2520-I2525 HydrophobicContact CB-CD1 4.47Å; H2520-I2525 HydrophobicContact CB-CG1 4.29Å; H2520-I2525 PolarHBondContact N-O 3.07Å; H2520-F2622 AromaticContact CE1-CE1 3.8Å; H2520-F2622 AromaticContact CE1-CZ 3.55Å; H2520-M2626 WeakPolarHBondContact NE2-CE 3.26Å |
| 2521 | C | 87.2 | Confident | 75.3 | Confident | 7 Ų | 7 | 21.5 Ų | 21.5 | 5% | 0.047 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -18.9 | 178.9 | 64.6 | 0 | 0 | 0 | 0 | 114.4 | I1606 F1609 T1613 Y1635 G2485 I2487 | I1606-C2521 VanDerWaalsContact CD1-O 3.26Å; I1606-C2521 WeakPolarHBondContact CD1-O 3.39Å; F1609-C2521 HydrophobicContact CB-CB 4.16Å; F1609-C2521 HydrophobicContact CD2-CB 3.54Å; F1609-C2521 HydrophobicContact CE2-CB 4.15Å; F1609-C2521 HydrophobicContact CG-CB 4.03Å; T1613-C2521 PolarHBondContact OG1-SG 2.92Å; T1613-C2521 VanDerWaalsContact OG1-SG 3.4Å; Y1635-C2521 WeakPolarHBondContact CE1-SG 3.36Å; G2485-C2521 WeakPolarHBondContact O-CB 3.45Å; G2485-C2521 PolarHBondContact O-N 3.28Å; I2487-C2521 HydrophobicContact CD1-CB 4.27Å |
| 2522 | S | 87 | Confident | 77.1 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -6.3 | 172.6 | 87.7 | 0 | 0 | 0 | 0 | 114.4 | H2323 H2520 G2524 L2616 T2617 | H2323-S2522 PolarHBondContact CE1-O 2.79Å; H2520-S2522 WeakPolarHBondContact ND1-CB 3.17Å; H2520-S2522 PolarHBondContact ND1-N 3.41Å; H2520-S2522 VanDerWaalsContact ND1-N 3.17Å; H2520-S2522 PolarHBondContact ND1-OG 3.35Å; H2520-S2522 PolarHBondContact O-N 3.4Å; S2522-G2524 PolarHBondContact O-N 2.9Å; S2522-G2524 PolarHBondContact OG-N 3.24Å; S2522-L2616 WeakPolarHBondContact CA-O 3.29Å; S2522-L2616 VanDerWaalsContact CB-O 3.25Å; S2522-L2616 WeakPolarHBondContact CB-O 3.26Å; S2522-T2617 VanDerWaalsContact CB-O 3.26Å; S2522-T2617 WeakPolarHBondContact CB-O 3.28Å; S2522-T2617 VanDerWaalsContact O-CA 3.28Å; S2522-T2617 WeakPolarHBondContact O-CA 3.49Å; S2522-T2617 PolarHBondContact OG-O 2.88Å |
| 2523 | G | 87.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 69.7 | -9.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | F2325 H2520 I2525 N2605 L2608 | F2325-G2523 WeakPolarHBondContact CE2-O 3.14Å; F2325-G2523 VanDerWaalsContact CZ-CA 3.44Å; H2520-G2523 WeakPolarHBondContact O-CA 3.45Å; H2520-G2523 PolarHBondContact O-N 3.47Å; G2523-I2525 PolarHBondContact O-N 3.43Å; G2523-N2605 WeakPolarHBondContact O-CB 3.5Å; G2523-N2605 PolarHBondContact O-ND2 3.26Å; G2523-L2608 VanDerWaalsContact O-CD1 3.25Å; G2523-L2608 WeakPolarHBondContact O-CD1 3.34Å |
| 2524 | G | 87.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -75.9 | -16.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S2522 N2605 | S2522-G2524 PolarHBondContact O-N 2.9Å; S2522-G2524 PolarHBondContact OG-N 3.24Å; G2524-N2605 WeakPolarHBondContact O-CB 3.09Å; G2524-N2605 PolarHBondContact O-N 3.25Å |
| 2525 | I | 91 | Very high | 77.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 136.5 | -164.2 | -42.6 | 177.6 | 0 | 0 | 0 | 109.6 | F2486 H2520 G2523 W2602 W2604 F2622 Q2623 M2626 | F2486-I2525 HydrophobicContact CE1-CB 4.21Å; F2486-I2525 HydrophobicContact CE1-CG2 3.95Å; F2486-I2525 HydrophobicContact CZ-CB 4.48Å; F2486-I2525 HydrophobicContact CZ-CG2 3.98Å; H2520-I2525 HydrophobicContact CB-CB 3.82Å; H2520-I2525 HydrophobicContact CB-CD1 4.47Å; H2520-I2525 HydrophobicContact CB-CG1 4.29Å; H2520-I2525 PolarHBondContact N-O 3.07Å; G2523-I2525 PolarHBondContact O-N 3.43Å; I2525-W2602 HydrophobicContact CD1-CH2 4.45Å; I2525-W2602 HydrophobicContact CD1-CZ2 4.11Å; I2525-W2602 HydrophobicContact CG2-CD2 4.04Å; I2525-W2602 VanDerWaalsContact CG2-CE2 3.45Å; I2525-W2602 HydrophobicContact CG2-CE3 4.43Å; I2525-W2602 HydrophobicContact CG2-CH2 3.87Å; I2525-W2602 HydrophobicContact CG2-CZ2 3.39Å; I2525-W2602 HydrophobicContact CG2-CZ3 4.35Å; I2525-W2604 HydrophobicContact CB-CZ3 4.49Å; I2525-W2604 HydrophobicContact CD1-CZ3 4.12Å; I2525-W2604 HydrophobicContact CG1-CE3 4.21Å; I2525-W2604 HydrophobicContact CG1-CZ3 3.93Å; I2525-W2604 HydrophobicContact CG2-CE3 4.17Å; I2525-W2604 HydrophobicContact CG2-CZ3 3.98Å; I2525-F2622 HydrophobicContact CD1-CE1 4.38Å; I2525-Q2623 HydrophobicContact CD1-CG 4.44Å; I2525-Q2623 HydrophobicContact CG1-CG 4.27Å; I2525-M2626 HydrophobicContact CD1-CB 3.96Å; I2525-M2626 HydrophobicContact CD1-CE 4.48Å; I2525-M2626 HydrophobicContact CD1-CG 4.14Å |
| 2526 | F | 91.6 | Very high | 76.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.6 | 170.2 | -57 | -73.8 | 0 | 0 | 0 | 111.2 | F1604 V2327 P2328 P2331 F2332 Y2518 V2519 S2603 N2605 | F1604-F2526 HydrophobicContact CE2-CE1 4.02Å; V2327-F2526 HydrophobicContact CB-CZ 3.9Å; V2327-F2526 HydrophobicContact CG1-CE1 4.21Å; V2327-F2526 HydrophobicContact CG1-CZ 3.76Å; P2328-F2526 HydrophobicContact CG-CE2 4.07Å; P2331-F2526 HydrophobicContact CB-CB 4.2Å; P2331-F2526 HydrophobicContact CB-CD1 4.22Å; P2331-F2526 HydrophobicContact CB-CD2 3.83Å; P2331-F2526 HydrophobicContact CB-CE2 4.19Å; P2331-F2526 HydrophobicContact CB-CG 3.83Å; P2331-F2526 HydrophobicContact CG-CD1 4.49Å; P2331-F2526 HydrophobicContact CG-CE1 4.49Å; F2332-F2526 HydrophobicContact CE1-CB 4.29Å; F2332-F2526 HydrophobicContact CE2-CB 4.26Å; F2332-F2526 HydrophobicContact CZ-CB 3.64Å; Y2518-F2526 CarbonylContact O-C 3.58Å; Y2518-F2526 VanDerWaalsContact O-CA 3.27Å; Y2518-F2526 WeakPolarHBondContact O-CA 3.31Å; V2519-F2526 HydrophobicContact CB-CD1 3.82Å; V2519-F2526 HydrophobicContact CB-CE1 3.86Å; V2519-F2526 HydrophobicContact CG2-CD1 3.79Å; V2519-F2526 HydrophobicContact CG2-CE1 3.52Å; V2519-F2526 HydrophobicContact CG2-CZ 4.44Å; F2526-S2603 PolarHBondContact N-O 2.76Å; F2526-S2603 PolarHBondContact O-N 3.47Å; F2526-N2605 HydrophobicContact CD2-CB 4.14Å; F2526-N2605 HydrophobicContact CE2-CB 3.45Å; F2526-N2605 VanDerWaalsContact CE2-CB 3.45Å; F2526-N2605 HydrophobicContact CZ-CB 4.05Å |
| 2527 | T | 92.1 | Very high | 74.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 150.9 | 172.1 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | F2332 L2481 F2486 Y2518 F2601 | F2332-T2527 VanDerWaalsContact CZ-C 3.47Å; L2481-T2527 HydrophobicContact CD1-CG2 4Å; L2481-T2527 HydrophobicContact CD2-CG2 3.57Å; L2481-T2527 HydrophobicContact CG-CG2 4.39Å; F2486-T2527 HydrophobicContact CB-CG2 4.37Å; F2486-T2527 HydrophobicContact CD1-CG2 3.33Å; F2486-T2527 HydrophobicContact CD2-CG2 4.19Å; F2486-T2527 HydrophobicContact CE1-CG2 3.46Å; F2486-T2527 VanDerWaalsContact CE1-CG2 3.46Å; F2486-T2527 HydrophobicContact CE2-CG2 4.3Å; F2486-T2527 HydrophobicContact CG-CG2 3.72Å; F2486-T2527 HydrophobicContact CZ-CG2 3.96Å; Y2518-T2527 PolarHBondContact N-O 2.82Å; Y2518-T2527 PolarHBondContact O-N 3.29Å; T2527-F2601 CarbonylContact C-O 3.56Å; T2527-F2601 WeakPolarHBondContact CA-O 3.25Å; T2527-F2601 PolarHBondContact OG1-O 3.07Å |
| 2528 | M | 87.6 | Confident | 72 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 135.4 | -178.1 | -177.1 | -175.6 | 79.5 | 0 | 0 | 111.1 | F2332 W2516 I2517 F2592 F2601 | F2332-M2528 HydrophobicContact CD1-CB 4.39Å; F2332-M2528 HydrophobicContact CD2-CB 4.16Å; F2332-M2528 HydrophobicContact CD2-SD 4Å; F2332-M2528 HydrophobicContact CE1-CB 3.92Å; F2332-M2528 HydrophobicContact CE2-CB 3.66Å; F2332-M2528 HydrophobicContact CE2-CG 4.45Å; F2332-M2528 HydrophobicContact CE2-SD 4.32Å; F2332-M2528 HydrophobicContact CG-SD 4.43Å; F2332-M2528 HydrophobicContact CZ-CB 3.54Å; W2516-M2528 VanDerWaalsContact O-CA 3.29Å; W2516-M2528 WeakPolarHBondContact O-CA 3.48Å; W2516-M2528 WeakPolarHBondContact O-CG 3.26Å; I2517-M2528 HydrophobicContact CD1-SD 4.42Å; I2517-M2528 HydrophobicContact CG1-CB 4.39Å; I2517-M2528 HydrophobicContact CG1-CG 3.93Å; I2517-M2528 HydrophobicContact CG1-SD 3.88Å; M2528-F2592 HydrophobicContact CE-CD2 3.89Å; M2528-F2592 HydrophobicContact CE-CE2 3.79Å; M2528-F2601 HydrophobicContact CB-CB 4.38Å; M2528-F2601 HydrophobicContact CE-CB 4.35Å; M2528-F2601 HydrophobicContact CE-CD2 3.54Å; M2528-F2601 HydrophobicContact CE-CE2 4.19Å; M2528-F2601 HydrophobicContact CE-CG 4.24Å; M2528-F2601 PolarHBondContact N-O 3.14Å; M2528-F2601 PolarHBondContact O-N 2.99Å |
| 2529 | I | 85.2 | Confident | 69 | Low | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -80 | 128.7 | 172.8 | -58.9 | 170.7 | 0 | 0 | 0 | 108.6 | Q2477 L2481 W2516 Y2518 Y2532 Y2600 | Q2477-I2529 HydrophobicContact CB-CD1 3.69Å; Q2477-I2529 HydrophobicContact CB-CG1 4.23Å; L2481-I2529 HydrophobicContact CD1-CD1 4.36Å; L2481-I2529 HydrophobicContact CD1-CG1 4.31Å; W2516-I2529 HydrophobicContact CB-CB 3.91Å; W2516-I2529 HydrophobicContact CB-CG1 4.5Å; W2516-I2529 HydrophobicContact CG-CB 4.49Å; W2516-I2529 PolarHBondContact O-N 3.37Å; Y2518-I2529 HydrophobicContact CE2-CD1 3.97Å; Y2518-I2529 HydrophobicContact CE2-CG1 4.26Å; I2529-Y2532 HydrophobicContact CG2-CE2 4.43Å; I2529-Y2600 HydrophobicContact CG1-CD1 4.2Å; I2529-Y2600 HydrophobicContact CG1-CE1 4.2Å |
| 2530 | P | 76.4 | Confident | 65.8 | Low | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 154.8 | 175.8 | -17.5 | 27.4 | 0 | 0 | 0 | 114.4 | F2350 Y2532 Q2595 G2599 F2601 | F2350-P2530 HydrophobicContact CE2-CG 3.96Å; P2530-Y2532 HydrophobicContact CB-CD1 4.33Å; P2530-Y2532 HydrophobicContact CB-CE1 3.76Å; P2530-Y2532 WeakPolarHBondContact CD-OH 3.5Å; P2530-Y2532 HydrophobicContact CG-CE1 4Å; P2530-Q2595 HydrophobicContact CB-CB 3.98Å; P2530-Q2595 HydrophobicContact CB-CG 3.95Å; P2530-Q2595 HydrophobicContact CG-CB 4.42Å; P2530-Q2595 HydrophobicContact CG-CG 4.29Å; P2530-G2599 WeakPolarHBondContact CD-O 2.98Å; P2530-F2601 HydrophobicContact CB-CD2 4.34Å; P2530-F2601 HydrophobicContact CB-CE2 3.87Å; P2530-F2601 HydrophobicContact CG-CD2 3.9Å; P2530-F2601 HydrophobicContact CG-CE2 3.77Å |
| 2531 | S | 68.3 | Low | 62.6 | Low | 30 Ų | 30 | 61.3 Ų | 61.3 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 132.2 | 158.1 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 2532 | Y | 68.5 | Low | 59.6 | Low | 37 Ų | 37 | 66.4 Ų | 66.4 | 15% | 0.145 | 37% | 0.371 | C | S | . | . | trans | -108.5 | 158.7 | 178.7 | -55.7 | -53.1 | 0 | 0 | 0 | 111.5 | L2470 Q2477 I2529 P2530 Q2595 S2597 G2599 | L2470-Y2532 HydrophobicContact CD2-CD2 3.96Å; L2470-Y2532 HydrophobicContact CD2-CG 4.37Å; Q2477-Y2532 PolarHBondContact NE2-OH 2.72Å; I2529-Y2532 HydrophobicContact CG2-CE2 4.43Å; P2530-Y2532 HydrophobicContact CB-CD1 4.33Å; P2530-Y2532 HydrophobicContact CB-CE1 3.76Å; P2530-Y2532 WeakPolarHBondContact CD-OH 3.5Å; P2530-Y2532 HydrophobicContact CG-CE1 4Å; Y2532-Q2595 HydrophobicContact CD1-CB 4.5Å; Y2532-Q2595 WeakPolarHBondContact CD1-O 3.01Å; Y2532-Q2595 HydrophobicContact CE1-CB 4.45Å; Y2532-S2597 WeakPolarHBondContact CE1-O 3.5Å; Y2532-G2599 PolarHBondContact OH-N 3.44Å; Y2532-G2599 PolarHBondContact OH-O 2.71Å | ||
| 2533 | E | 56.9 | Low | 56.6 | Low | 117 Ų | 117 | 72.4 Ų | 72.4 | 55% | 0.547 | 41% | 0.408 | S | S | . | . | trans | -78.4 | 125.7 | -178.7 | -144.1 | 163.2 | -174.3 | 0 | 0 | 110.6 | I2594 | E2533-I2594 HydrophobicContact CB-CG2 3.7Å; E2533-I2594 HydrophobicContact CG-CD1 4.31Å; E2533-I2594 HydrophobicContact CG-CG2 4.11Å | ||
| 2534 | S | 48 | Very low | 53.8 | Low | 74 Ų | 74 | 84.4 Ų | 84.4 | 52% | 0.517 | 45% | 0.454 | S | S | . | . | trans | -85.2 | 130.2 | 173.3 | -64 | 0 | 0 | 0 | 0 | 109.9 | E2536 | S2534-E2536 PolarHBondContact O-N 3.28Š| ||
| 2535 | A | 38.3 | Very low | 50.8 | Low | 87 Ų | 87 | 91.8 Ų | 91.8 | 72% | 0.719 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -76.3 | 18.4 | -162.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 2536 | E | 29.6 | Very low | 47.6 | Very low | 143 Ų | 143 | 97.9 Ų | 97.9 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | trans | -106.7 | 49.7 | -175.2 | -66.6 | -160.7 | 151.1 | 0 | 0 | 114.2 | R2503 S2534 | R2503-E2536 IonicContact NH2-OE2 3.68Å; S2534-E2536 PolarHBondContact O-N 3.28Å | ||
| 2537 | V | 31.1 | Very low | 44.2 | Very low | 135 Ų | 135 | 102.3 Ų | 102.3 | 82% | 0.818 | 57% | 0.565 | S | S | * | * | trans | -136.1 | 76.1 | 162.4 | -167.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 2538 | Q | 25.6 | Very low | 41.1 | Very low | 182 Ų | 182 | 107.7 Ų | 107.7 | 85% | 0.85 | 59% | 0.592 | S | S | * | * | trans | -132.5 | 69.1 | 159.2 | -73.2 | -163 | -15 | 0 | 0 | 110.2 | ||||
| 2539 | G | 26.5 | Very low | 38 | Very low | 69 Ų | 69 | 113.5 Ų | 113.5 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | trans | -75.5 | 152.2 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | E2541 | G2539-E2541 PolarHBondContact O-N 2.96Š| ||
| 2540 | E | 23.6 | Very low | 35.2 | Very low | 187 Ų | 187 | 118.6 Ų | 118.6 | 87% | 0.874 | 66% | 0.656 | S | S | * | * | trans | -72.9 | 110.9 | -173.5 | -61.3 | 175 | 114.2 | 0 | 0 | 112.6 | ||||
| 2541 | E | 25.2 | Very low | 32.6 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 92% | 0.916 | 69% | 0.694 | S | S | * | * | trans | -111.7 | 89.7 | 154.5 | -77.6 | -150.4 | 142.7 | 0 | 0 | 110.4 | G2539 T2543 | G2539-E2541 PolarHBondContact O-N 2.96Å; E2541-T2543 PolarHBondContact O-N 2.97Å | ||
| 2542 | T | 24.5 | Very low | 30.6 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | -72.4 | 119.2 | 170 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2543 | T | 24.8 | Very low | 28.5 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | 54.9 | 103.5 | 154.4 | 56.1 | 0 | 0 | 0 | 0 | 118.2 | E2541 | E2541-T2543 PolarHBondContact O-N 2.97Š| ||
| 2544 | R | 27.4 | Very low | 27 | Very low | 252 Ų | 252 | 132.6 Ų | 132.6 | 95% | 0.951 | 77% | 0.765 | S | S | * | * | trans | -149.8 | 114.5 | 137.4 | -113.1 | 161.1 | -158.2 | -177.5 | 5.9 | 113.1 | ||||
| 2545 | N | 23.7 | Very low | 26 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -67.4 | 149.1 | 158.9 | -56.1 | -35.4 | 0 | 0 | 0 | 108.6 | ||||
| 2546 | C | 23.8 | Very low | 25.5 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | -173.4 | 147.8 | 98.8 | -114.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 2547 | S | 20.9 | Very low | 25.2 | Very low | 92 Ų | 92 | 143.3 Ų | 143.3 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -92.8 | 137.9 | 170.3 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2548 | I | 26.1 | Very low | 24.8 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 58% | 0.579 | 78% | 0.783 | S | S | * | * | 49.4 | 105.5 | 125.6 | -54.3 | 167.6 | 0 | 0 | 0 | 116.3 | |||||
| 2549 | N | 24.4 | Very low | 24.8 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | 165.9 | 167.1 | 87.7 | -125.6 | -7.9 | 0 | 0 | 0 | 117.8 | |||||
| 2550 | T | 25.7 | Very low | 24.6 | Very low | 110 Ų | 110 | 147.4 Ų | 147.4 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | 62.8 | 101.5 | 149.1 | 48.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 2551 | E | 22.5 | Very low | 24.8 | Very low | 177 Ų | 177 | 144.4 Ų | 144.4 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | 49 | 110.1 | 117.1 | -62.3 | -165.6 | 150.7 | 0 | 0 | 124.8 | |||||
| 2552 | S | 25.4 | Very low | 24.8 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | 106.3 | 134.5 | 114.9 | 79.5 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 2553 | S | 24.5 | Very low | 25 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 93.1 | 95.2 | 141.8 | 76 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2554 | G | 26 | Very low | 25 | Very low | 81 Ų | 81 | 146.1 Ų | 146.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 87.1 | 154.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2555 | S | 26.8 | Very low | 25 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -168.5 | 161.2 | -11.2 | -164.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2556 | R | 26.8 | Very low | 25.1 | Very low | 221 Ų | 221 | 140 Ų | 140 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 89.9 | 112.2 | 165.7 | -55.5 | 179.8 | -177 | -174.8 | 1.1 | 116.9 | ||||
| 2557 | K | 24.1 | Very low | 25.5 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | 65.7 | 137.6 | 76.9 | -72.3 | -171.4 | 179.2 | -168.9 | 0 | 113.5 | |||||
| 2558 | S | 23.1 | Very low | 25.7 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | cis | -178 | 160.3 | -3.4 | 42.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 2559 | E | 25.4 | Very low | 25.7 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | 174.6 | 164.2 | 124.3 | -96.8 | 170.4 | -163.3 | 0 | 0 | 113.6 | |||||
| 2560 | E | 22.8 | Very low | 25.8 | Very low | 190 Ų | 190 | 146.6 Ų | 146.6 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -117.2 | 156.1 | -175.6 | -60.1 | 164.3 | 118.5 | 0 | 0 | 110.8 | ||||
| 2561 | S | 27.7 | Very low | 25.9 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -169 | 132.6 | 142.3 | 8.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2562 | D | 23.8 | Very low | 26.2 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -78 | 165.9 | 172.8 | -50 | -82.4 | 0 | 0 | 0 | 112.8 | ||||
| 2563 | H | 30.1 | Very low | 26.2 | Very low | 188 Ų | 188 | 149.9 Ų | 149.9 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | -150 | 146.6 | 124.2 | -103.8 | 22.4 | 0 | 0 | 0 | 113.3 | |||||
| 2564 | N | 24.9 | Very low | 26.3 | Very low | 141 Ų | 141 | 154.5 Ų | 154.5 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -76.5 | 162.5 | -169.4 | -56.8 | -89.4 | 0 | 0 | 0 | 113.9 | ||||
| 2565 | I | 27.5 | Very low | 26.5 | Very low | 152 Ų | 152 | 156 Ų | 156 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | -173.5 | 142.2 | 108.7 | -95.2 | 159.1 | 0 | 0 | 0 | 112.1 | |||||
| 2566 | D | 25.6 | Very low | 26.6 | Very low | 126 Ų | 126 | 156.4 Ų | 156.4 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | trans | 33.3 | 109.4 | 163.5 | -60.9 | -18.3 | 0 | 0 | 0 | 121.7 | ||||
| 2567 | H | 31.2 | Very low | 26.5 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | -171.3 | 134.3 | 90.1 | -105.3 | -65.7 | 0 | 0 | 0 | 114.6 | K2569 | H2567-K2569 PolarHBondContact O-N 2.98Š| |||
| 2568 | L | 26 | Very low | 26.6 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | trans | -75.5 | 110.8 | 167.8 | -74.8 | 71.8 | 0 | 0 | 0 | 110.6 | ||||
| 2569 | K | 25.7 | Very low | 26.8 | Very low | 190 Ų | 190 | 149.8 Ų | 149.8 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | trans | -161.6 | -8.7 | 163.9 | -120.6 | 165.7 | -173.5 | 177.9 | 0 | 121.4 | H2567 | H2567-K2569 PolarHBondContact O-N 2.98Š| ||
| 2570 | D | 26 | Very low | 26.8 | Very low | 84 Ų | 84 | 146 Ų | 146 | 45% | 0.449 | 73% | 0.727 | S | S | . | * | trans | -110.9 | 8.7 | -163.9 | -82.1 | -72.4 | 0 | 0 | 0 | 118.9 | Y2572 R2573 | D2570-Y2572 PolarHBondContact O-N 3.2Å; D2570-R2573 PolarHBondContact O-N 2.65Å; D2570-R2573 VanDerWaalsContact O-N 3.09Å; D2570-R2573 WeakPolarHBondContact OD1-CD 3.21Å; D2570-R2573 IonicContact OD1-CZ 3.65Å; D2570-R2573 IonicContact OD1-NE 3.75Å; D2570-R2573 IonicContact OD1-NH1 3.72Å; D2570-R2573 PolarHBondContact OD1-NH1 3.3Å | ||
| 2571 | D | 27.5 | Very low | 26.9 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 13 | 173.7 | -74.4 | -32.4 | 0 | 0 | 0 | 115 | ||
| 2572 | Y | 28.4 | Very low | 26.9 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 62% | 0.624 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 9.8 | 170.4 | -122.4 | -82.3 | 0 | 0 | 0 | 113.6 | R1419 D2570 | R1419-Y2572 VanDerWaalsContact NH2-CD2 3.25Å; R1419-Y2572 VanDerWaalsContact NH2-CE2 3.32Å; R1419-Y2572 VanDerWaalsContact NH2-CZ 3.31Å; D2570-Y2572 PolarHBondContact O-N 3.2Å |
| 2573 | R | 26.9 | Very low | 27 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 58% | 0.581 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.2 | -18.6 | 177.5 | -106.4 | 161.4 | 164 | -179.2 | -4.7 | 114.4 | D2570 T2575 I2576 N2577 | D2570-R2573 PolarHBondContact O-N 2.65Å; D2570-R2573 VanDerWaalsContact O-N 3.09Å; D2570-R2573 WeakPolarHBondContact OD1-CD 3.21Å; D2570-R2573 IonicContact OD1-CZ 3.65Å; D2570-R2573 IonicContact OD1-NE 3.75Å; D2570-R2573 IonicContact OD1-NH1 3.72Å; D2570-R2573 PolarHBondContact OD1-NH1 3.3Å; R2573-T2575 PolarHBondContact O-N 3.18Å; R2573-I2576 PolarHBondContact O-N 3.09Å; R2573-N2577 PolarHBondContact O-N 3.38Å; R2573-N2577 VanDerWaalsContact O-N 3.11Å |
| 2574 | R | 26.3 | Very low | 26.7 | Very low | 214 Ų | 214 | 140.1 Ų | 140.1 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -2.7 | 178.6 | -64 | -171.1 | -175.8 | -125.1 | 2 | 114.9 | ||
| 2575 | T | 29.6 | Very low | 26.7 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.693 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 10.6 | 171.4 | 33.9 | 0 | 0 | 0 | 0 | 113.5 | R2573 | R2573-T2575 PolarHBondContact O-N 3.18Š|
| 2576 | I | 28.5 | Very low | 26.6 | Very low | 117 Ų | 117 | 136 Ų | 136 | 60% | 0.6 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | -23.7 | 176 | -63.5 | -179.9 | 0 | 0 | 0 | 111.4 | R2573 M2578 | R2573-I2576 PolarHBondContact O-N 3.09Å; I2576-M2578 PolarHBondContact O-N 3.16Å |
| 2577 | N | 25.8 | Very low | 26.8 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 56.4 | 173.6 | -70.7 | 15.3 | 0 | 0 | 0 | 112.8 | R2573 | R2573-N2577 PolarHBondContact O-N 3.38Å; R2573-N2577 VanDerWaalsContact O-N 3.11Å |
| 2578 | M | 26.7 | Very low | 26.4 | Very low | 133 Ų | 133 | 131 Ų | 131 | 66% | 0.655 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | -21.6 | 168.2 | -104.3 | -75.4 | 177.2 | 0 | 0 | 113 | I2576 | I2576-M2578 PolarHBondContact O-N 3.16Š|
| 2579 | D | 26.8 | Very low | 26.6 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -113.7 | 32.4 | -164.7 | -61.3 | -61.4 | 0 | 0 | 0 | 114.4 | ||
| 2580 | T | 25.7 | Very low | 27 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 68% | 0.681 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -127.6 | -13.2 | 173.5 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | W2582 | T2580-W2582 PolarHBondContact O-N 3.05Š|
| 2581 | S | 23.5 | Very low | 27.9 | Very low | 85 Ų | 85 | 116.1 Ų | 116.1 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 3.1 | 172.2 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 2582 | W | 28 | Very low | 29 | Very low | 200 Ų | 200 | 110.2 Ų | 110.2 | 76% | 0.758 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 16.3 | -177.2 | -73.5 | 95.6 | 0 | 0 | 0 | 113.7 | T2580 | T2580-W2582 PolarHBondContact O-N 3.05Š|
| 2583 | I | 26.6 | Very low | 29.9 | Very low | 125 Ų | 125 | 106 Ų | 106 | 64% | 0.641 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -128.2 | 4.6 | -178 | -58.6 | -179.7 | 0 | 0 | 0 | 111.5 | ||
| 2584 | S | 23.9 | Very low | 31.3 | Very low | 110 Ų | 110 | 101.7 Ų | 101.7 | 77% | 0.769 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -144.1 | 26.4 | -164.5 | -168.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 2585 | S | 24 | Very low | 33 | Very low | 75 Ų | 75 | 93.8 Ų | 93.8 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -132.3 | -29 | -177.8 | 51.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 2586 | D | 26.9 | Very low | 34.7 | Very low | 133 Ų | 133 | 97.2 Ų | 97.2 | 71% | 0.711 | 54% | 0.54 | S | S | * | . | trans | -128 | 98.9 | -165.8 | -64.1 | -84.9 | 0 | 0 | 0 | 112 | ||||
| 2587 | C | 29.1 | Very low | 36.9 | Very low | 64 Ų | 64 | 94.1 Ų | 94.1 | 43% | 0.432 | 53% | 0.529 | S | S | . | . | trans | -162.8 | 12 | 169.3 | 37.9 | 0 | 0 | 0 | 0 | 114.5 | S2509 | S2509-C2587 WeakPolarHBondContact O-CB 3.03Å; S2509-C2587 PolarHBondContact OG-SG 3.35Å | ||
| 2588 | T | 23.6 | Very low | 39.6 | Very low | 131 Ų | 131 | 89.6 Ų | 89.6 | 80% | 0.804 | 51% | 0.505 | S | S | * | . | trans | -108.2 | 52.7 | 177.9 | 53.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 2589 | A | 29.3 | Very low | 42.5 | Very low | 48 Ų | 48 | 83.3 Ų | 83.3 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -139.1 | 120.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | N2336 | N2336-A2589 HydrophobicContact CB-CB 3.64Š|
| 2590 | N | 34.6 | Very low | 45.6 | Very low | 51 Ų | 51 | 77.6 Ų | 77.6 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | trans | -62.2 | 139.6 | -173.8 | -73 | -77.1 | 0 | 0 | 0 | 111.9 | N2336 Q2513 F2592 I2594 | N2336-N2590 PolarHBondContact ND2-O 2.89Å; Q2513-N2590 PolarHBondContact NE2-OD1 2.87Å; N2590-F2592 CarbonylContact C-O 3.5Å; N2590-F2592 WeakPolarHBondContact CB-O 3.48Å; N2590-F2592 CarbonylContact O-C 3.6Å; N2590-F2592 VanDerWaalsContact O-C 3.31Å; N2590-F2592 WeakPolarHBondContact O-CA 3.49Å; N2590-F2592 PolarHBondContact O-N 3.48Å; N2590-I2594 HydrophobicContact CB-CG1 4.38Å; N2590-I2594 WeakPolarHBondContact ND2-CG1 3.49Å | ||
| 2591 | C | 43.8 | Very low | 48.6 | Very low | 25 Ų | 25 | 73 Ų | 73 | 17% | 0.169 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -53.3 | -22 | -174.4 | -90.9 | 0 | 0 | 0 | 0 | 115.3 | S2335 Q2513 | S2335-C2591 WeakPolarHBondContact CB-O 3.04Å; S2335-C2591 PolarHBondContact N-O 3.26Å; S2335-C2591 PolarHBondContact OG-O 3Å; Q2513-C2591 VanDerWaalsContact OE1-CB 3.28Å; Q2513-C2591 PolarHBondContact OE1-SG 3.41Å |
| 2592 | F | 50.9 | Low | 51.8 | Low | 28 Ų | 28 | 69 Ų | 69 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -133.1 | 156 | 153.7 | -60.6 | -75.1 | 0 | 0 | 0 | 108.2 | F2332 G2333 P2348 M2528 N2590 I2594 F2601 | F2332-F2592 HydrophobicContact CB-CE2 4.04Å; F2332-F2592 HydrophobicContact CB-CZ 4.01Å; G2333-F2592 WeakPolarHBondContact O-CZ 3.17Å; P2348-F2592 HydrophobicContact CG-CE1 3.84Å; P2348-F2592 HydrophobicContact CG-CE2 3.91Å; P2348-F2592 HydrophobicContact CG-CZ 3.42Å; P2348-F2592 VanDerWaalsContact CG-CZ 3.42Å; M2528-F2592 HydrophobicContact CE-CD2 3.89Å; M2528-F2592 HydrophobicContact CE-CE2 3.79Å; N2590-F2592 CarbonylContact C-O 3.5Å; N2590-F2592 WeakPolarHBondContact CB-O 3.48Å; N2590-F2592 CarbonylContact O-C 3.6Å; N2590-F2592 VanDerWaalsContact O-C 3.31Å; N2590-F2592 WeakPolarHBondContact O-CA 3.49Å; N2590-F2592 PolarHBondContact O-N 3.48Å; F2592-I2594 PolarHBondContact O-N 3.08Å; F2592-F2601 HydrophobicContact CB-CE1 4.46Å; F2592-F2601 HydrophobicContact CB-CE2 4.15Å; F2592-F2601 HydrophobicContact CB-CZ 3.71Å; F2592-F2601 HydrophobicContact CD2-CD1 4.4Å; F2592-F2601 AromaticContact CD2-CD2 3.99Å; F2592-F2601 HydrophobicContact CD2-CD2 3.99Å; F2592-F2601 HydrophobicContact CD2-CE1 4.09Å; F2592-F2601 AromaticContact CD2-CE2 3.63Å; F2592-F2601 HydrophobicContact CD2-CE2 3.63Å; F2592-F2601 HydrophobicContact CD2-CG 4.35Å; F2592-F2601 AromaticContact CD2-CZ 3.69Å; F2592-F2601 HydrophobicContact CD2-CZ 3.69Å; F2592-F2601 HydrophobicContact CE2-CD2 4.44Å; F2592-F2601 HydrophobicContact CE2-CE2 4.49Å; F2592-F2601 HydrophobicContact CE2-CG 4.48Å; F2592-F2601 HydrophobicContact CG-CE1 4.12Å; F2592-F2601 HydrophobicContact CG-CE2 4.13Å; F2592-F2601 AromaticContact CG-CZ 3.74Å; F2592-F2601 HydrophobicContact CG-CZ 3.74Å |
| 2593 | A | 48.3 | Very low | 54.6 | Low | 71 Ų | 71 | 59.9 Ų | 59.9 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -49.7 | 138.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q2595 | A2593-Q2595 PolarHBondContact O-N 3.38Å; A2593-Q2595 VanDerWaalsContact O-N 3.17Å; A2593-Q2595 PolarHBondContact O-NE2 2.87Å |
| 2594 | I | 55.1 | Low | 57.4 | Low | 62 Ų | 62 | 56.5 Ų | 56.5 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 121.9 | -167.7 | -56.4 | 175.3 | 0 | 0 | 0 | 110.1 | E2533 N2590 F2592 K2596 | E2533-I2594 HydrophobicContact CB-CG2 3.7Å; E2533-I2594 HydrophobicContact CG-CD1 4.31Å; E2533-I2594 HydrophobicContact CG-CG2 4.11Å; N2590-I2594 HydrophobicContact CB-CG1 4.38Å; N2590-I2594 WeakPolarHBondContact ND2-CG1 3.49Å; F2592-I2594 PolarHBondContact O-N 3.08Å; I2594-K2596 PolarHBondContact O-N 2.71Å |
| 2595 | Q | 63.4 | Low | 60.4 | Low | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -80 | 122.6 | -173.3 | -69.4 | -57.7 | -62.7 | 0 | 0 | 110.3 | F2350 P2530 Y2532 A2593 S2597 F2601 | F2350-Q2595 HydrophobicContact CE2-CG 4.36Å; P2530-Q2595 HydrophobicContact CB-CB 3.98Å; P2530-Q2595 HydrophobicContact CB-CG 3.95Å; P2530-Q2595 HydrophobicContact CG-CB 4.42Å; P2530-Q2595 HydrophobicContact CG-CG 4.29Å; Y2532-Q2595 HydrophobicContact CD1-CB 4.5Å; Y2532-Q2595 WeakPolarHBondContact CD1-O 3.01Å; Y2532-Q2595 HydrophobicContact CE1-CB 4.45Å; A2593-Q2595 PolarHBondContact O-N 3.38Å; A2593-Q2595 VanDerWaalsContact O-N 3.17Å; A2593-Q2595 PolarHBondContact O-NE2 2.87Å; Q2595-S2597 PolarHBondContact O-N 2.77Å; Q2595-F2601 HydrophobicContact CG-CE2 4.02Å; Q2595-F2601 HydrophobicContact CG-CZ 3.71Å |
| 2596 | K | 65 | Low | 63 | Low | 185 Ų | 185 | 50.2 Ų | 50.2 | 80% | 0.804 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -82.9 | 5.7 | 178.4 | -58.3 | -166 | 174.2 | -166 | 0 | 113.5 | I2594 | I2594-K2596 PolarHBondContact O-N 2.71Š|
| 2597 | S | 73.1 | Confident | 65.6 | Low | 53 Ų | 53 | 44 Ų | 44 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -138.1 | 140.2 | -178.6 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | F2350 Y2532 Q2595 | F2350-S2597 WeakPolarHBondContact CE1-OG 3.38Å; Y2532-S2597 WeakPolarHBondContact CE1-O 3.5Å; Q2595-S2597 PolarHBondContact O-N 2.77Å |
| 2598 | I | 82.8 | Confident | 68 | Low | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | trans | -73.3 | 138.4 | 176.5 | -59.8 | 170.1 | 0 | 0 | 0 | 108.6 | P2352 V2353 F2397 I2473 | P2352-I2598 WeakPolarHBondContact CA-O 3.19Å; V2353-I2598 HydrophobicContact CG2-CG2 4.06Å; V2353-I2598 PolarHBondContact N-O 2.73Å; F2397-I2598 HydrophobicContact CD1-CD1 3.6Å; F2397-I2598 HydrophobicContact CE1-CD1 3.75Å; I2473-I2598 HydrophobicContact CD1-CD1 4.23Å; I2473-I2598 HydrophobicContact CG2-CD1 4.05Å; I2473-I2598 HydrophobicContact CG2-CG2 4.21Å | ||
| 2599 | G | 88.2 | Confident | 70 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | -172.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112 | L2351 Q2477 P2530 Y2532 | L2351-G2599 CarbonylContact O-C 3.52Å; L2351-G2599 WeakPolarHBondContact O-CA 3.4Å; Q2477-G2599 PolarHBondContact NE2-O 2.78Å; Q2477-G2599 VanDerWaalsContact NE2-O 3.16Å; P2530-G2599 WeakPolarHBondContact CD-O 2.98Å; Y2532-G2599 PolarHBondContact OH-N 3.44Å; Y2532-G2599 PolarHBondContact OH-O 2.71Å |
| 2600 | Y | 91.5 | Very high | 71.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.5 | -179.5 | -53.7 | -94.6 | 0 | 0 | 0 | 110.4 | F2350 L2351 V2353 Q2477 I2480 L2481 I2529 F2630 L2634 | F2350-Y2600 CarbonylContact C-O 3.53Å; F2350-Y2600 WeakPolarHBondContact CA-O 3.14Å; F2350-Y2600 WeakPolarHBondContact CD2-O 3.38Å; L2351-Y2600 PolarHBondContact N-O 3.32Å; L2351-Y2600 PolarHBondContact O-N 3.21Å; V2353-Y2600 HydrophobicContact CG2-CE2 4.02Å; Q2477-Y2600 VanDerWaalsContact CA-OH 3.3Å; Q2477-Y2600 WeakPolarHBondContact CA-OH 3.36Å; Q2477-Y2600 HydrophobicContact CB-CE1 3.9Å; Q2477-Y2600 WeakPolarHBondContact CB-OH 3.45Å; Q2477-Y2600 HydrophobicContact CG-CE1 4.22Å; Q2477-Y2600 PolarHBondContact O-OH 3.4Å; I2480-Y2600 WeakPolarHBondContact CD1-OH 3.23Å; L2481-Y2600 HydrophobicContact CD1-CD1 4.18Å; L2481-Y2600 HydrophobicContact CD1-CE1 3.9Å; L2481-Y2600 HydrophobicContact CD2-CD1 3.94Å; L2481-Y2600 HydrophobicContact CD2-CE1 3.71Å; L2481-Y2600 HydrophobicContact CG-CD1 4.28Å; L2481-Y2600 HydrophobicContact CG-CE1 3.72Å; I2529-Y2600 HydrophobicContact CG1-CD1 4.2Å; I2529-Y2600 HydrophobicContact CG1-CE1 4.2Å; Y2600-F2630 HydrophobicContact CD2-CE1 4.03Å; Y2600-F2630 HydrophobicContact CD2-CZ 4.05Å; Y2600-F2630 HydrophobicContact CE2-CE1 4.45Å; Y2600-F2630 HydrophobicContact CE2-CZ 4.06Å; Y2600-F2630 HydrophobicContact CG-CE1 4.36Å; Y2600-F2630 HydrophobicContact CG-CZ 4.38Å; Y2600-L2634 HydrophobicContact CD2-CD1 3.65Å; Y2600-L2634 HydrophobicContact CE2-CD1 3.82Å; Y2600-L2634 HydrophobicContact CE2-CD2 3.82Å; Y2600-L2634 HydrophobicContact CE2-CG 4.49Å |
| 2601 | F | 88.2 | Confident | 73.1 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 131.2 | 161.2 | -70.6 | -71.3 | 0 | 0 | 0 | 109.4 | F2332 P2348 F2350 T2527 M2528 P2530 F2592 Q2595 | F2332-F2601 HydrophobicContact CD1-CB 4.04Å; F2332-F2601 HydrophobicContact CE1-CB 4.24Å; F2332-F2601 WeakPolarHBondContact CE1-O 3.33Å; P2348-F2601 HydrophobicContact CB-CB 4.18Å; P2348-F2601 HydrophobicContact CB-CD1 4.22Å; P2348-F2601 HydrophobicContact CG-CB 4.39Å; P2348-F2601 HydrophobicContact CG-CD1 3.78Å; P2348-F2601 HydrophobicContact CG-CE1 4.43Å; P2348-F2601 HydrophobicContact CG-CG 4.34Å; F2350-F2601 HydrophobicContact CB-CD1 4.19Å; F2350-F2601 HydrophobicContact CB-CE1 4.11Å; F2350-F2601 HydrophobicContact CD2-CD1 4.01Å; F2350-F2601 AromaticContact CD2-CE1 3.85Å; F2350-F2601 HydrophobicContact CD2-CE1 3.85Å; F2350-F2601 HydrophobicContact CD2-CG 4.44Å; F2350-F2601 HydrophobicContact CD2-CZ 4.16Å; F2350-F2601 HydrophobicContact CG-CE1 4.37Å; T2527-F2601 CarbonylContact C-O 3.56Å; T2527-F2601 WeakPolarHBondContact CA-O 3.25Å; T2527-F2601 PolarHBondContact OG1-O 3.07Å; M2528-F2601 HydrophobicContact CB-CB 4.38Å; M2528-F2601 HydrophobicContact CE-CB 4.35Å; M2528-F2601 HydrophobicContact CE-CD2 3.54Å; M2528-F2601 HydrophobicContact CE-CE2 4.19Å; M2528-F2601 HydrophobicContact CE-CG 4.24Å; M2528-F2601 PolarHBondContact N-O 3.14Å; M2528-F2601 PolarHBondContact O-N 2.99Å; P2530-F2601 HydrophobicContact CB-CD2 4.34Å; P2530-F2601 HydrophobicContact CB-CE2 3.87Å; P2530-F2601 HydrophobicContact CG-CD2 3.9Å; P2530-F2601 HydrophobicContact CG-CE2 3.77Å; F2592-F2601 HydrophobicContact CB-CE1 4.46Å; F2592-F2601 HydrophobicContact CB-CE2 4.15Å; F2592-F2601 HydrophobicContact CB-CZ 3.71Å; F2592-F2601 HydrophobicContact CD2-CD1 4.4Å; F2592-F2601 AromaticContact CD2-CD2 3.99Å; F2592-F2601 HydrophobicContact CD2-CD2 3.99Å; F2592-F2601 HydrophobicContact CD2-CE1 4.09Å; F2592-F2601 AromaticContact CD2-CE2 3.63Å; F2592-F2601 HydrophobicContact CD2-CE2 3.63Å; F2592-F2601 HydrophobicContact CD2-CG 4.35Å; F2592-F2601 AromaticContact CD2-CZ 3.69Å; F2592-F2601 HydrophobicContact CD2-CZ 3.69Å; F2592-F2601 HydrophobicContact CE2-CD2 4.44Å; F2592-F2601 HydrophobicContact CE2-CE2 4.49Å; F2592-F2601 HydrophobicContact CE2-CG 4.48Å; F2592-F2601 HydrophobicContact CG-CE1 4.12Å; F2592-F2601 HydrophobicContact CG-CE2 4.13Å; F2592-F2601 AromaticContact CG-CZ 3.74Å; F2592-F2601 HydrophobicContact CG-CZ 3.74Å; Q2595-F2601 HydrophobicContact CG-CE2 4.02Å; Q2595-F2601 HydrophobicContact CG-CZ 3.71Å |
| 2602 | W | 90.7 | Very high | 74.3 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141 | -179 | -177.5 | -76.8 | 0 | 0 | 0 | 110.7 | P2348 I2349 L2351 F2486 I2525 W2604 M2626 L2627 F2630 | P2348-W2602 WeakPolarHBondContact CA-O 3.4Å; P2348-W2602 WeakPolarHBondContact CB-O 3.26Å; I2349-W2602 HydrophobicContact CB-CB 4.32Å; I2349-W2602 PolarHBondContact N-O 2.95Å; I2349-W2602 PolarHBondContact O-N 2.89Å; L2351-W2602 HydrophobicContact CD1-CB 3.73Å; L2351-W2602 HydrophobicContact CD1-CD2 4.02Å; L2351-W2602 HydrophobicContact CD1-CE3 3.76Å; L2351-W2602 HydrophobicContact CD1-CG 4.08Å; L2351-W2602 HydrophobicContact CG-CB 4.17Å; F2486-W2602 HydrophobicContact CE2-CZ3 4.16Å; F2486-W2602 HydrophobicContact CZ-CE3 4.37Å; F2486-W2602 AromaticContact CZ-CH2 3.99Å; F2486-W2602 HydrophobicContact CZ-CH2 3.99Å; F2486-W2602 AromaticContact CZ-CZ3 3.69Å; F2486-W2602 HydrophobicContact CZ-CZ3 3.69Å; I2525-W2602 HydrophobicContact CD1-CH2 4.45Å; I2525-W2602 HydrophobicContact CD1-CZ2 4.11Å; I2525-W2602 HydrophobicContact CG2-CD2 4.04Å; I2525-W2602 VanDerWaalsContact CG2-CE2 3.45Å; I2525-W2602 HydrophobicContact CG2-CE3 4.43Å; I2525-W2602 HydrophobicContact CG2-CH2 3.87Å; I2525-W2602 HydrophobicContact CG2-CZ2 3.39Å; I2525-W2602 HydrophobicContact CG2-CZ3 4.35Å; W2602-W2604 AromaticContact CE2-CH2 3.86Å; W2602-W2604 AromaticContact CE2-CZ3 3.67Å; W2602-W2604 AromaticContact CZ2-CH2 3.86Å; W2602-W2604 HydrophobicContact CZ2-CH2 3.86Å; W2602-W2604 AromaticContact CZ2-CZ3 3.68Å; W2602-W2604 HydrophobicContact CZ2-CZ3 3.68Å; W2602-W2604 AromaticContact NE1-CD2 3.95Å; W2602-W2604 AromaticContact NE1-CE3 3.49Å; W2602-W2604 AromaticContact NE1-CH2 3.24Å; W2602-W2604 AromaticContact NE1-CZ2 3.71Å; W2602-W2604 AromaticContact NE1-CZ3 3.11Å; W2602-M2626 HydrophobicContact CH2-CB 4.41Å; W2602-L2627 HydrophobicContact CD2-CD1 3.93Å; W2602-L2627 HydrophobicContact CE3-CD1 4.44Å; W2602-L2627 HydrophobicContact CG-CD1 4.16Å; W2602-L2627 HydrophobicContact CH2-CB 4.42Å; W2602-L2627 HydrophobicContact CZ2-CB 3.71Å; W2602-L2627 HydrophobicContact CZ2-CD1 4.11Å; W2602-L2627 HydrophobicContact CZ2-CG 4.46Å; W2602-F2630 AromaticContact CE3-CD1 3.9Å; W2602-F2630 HydrophobicContact CE3-CD1 3.9Å; W2602-F2630 HydrophobicContact CE3-CE1 4.15Å; W2602-F2630 HydrophobicContact CH2-CB 4.3Å; W2602-F2630 HydrophobicContact CH2-CD1 4.47Å; W2602-F2630 HydrophobicContact CH2-CG 4.47Å; W2602-F2630 HydrophobicContact CZ3-CB 4.12Å; W2602-F2630 AromaticContact CZ3-CD1 3.52Å; W2602-F2630 HydrophobicContact CZ3-CD1 3.52Å; W2602-F2630 HydrophobicContact CZ3-CE1 4.01Å; W2602-F2630 AromaticContact CZ3-CG 3.83Å; W2602-F2630 HydrophobicContact CZ3-CG 3.83Å |
| 2603 | S | 87.8 | Confident | 75.1 | Confident | 9 Ų | 9 | 40.9 Ų | 40.9 | 6% | 0.063 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 137.6 | -178.6 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | P2331 R2346 F2526 | P2331-S2603 VanDerWaalsContact O-CB 3.31Å; P2331-S2603 WeakPolarHBondContact O-CB 3.33Å; P2331-S2603 PolarHBondContact O-OG 2.97Å; R2346-S2603 PolarHBondContact NH2-OG 3.23Å; F2526-S2603 PolarHBondContact N-O 2.76Å; F2526-S2603 PolarHBondContact O-N 3.47Å |
| 2604 | W | 86.2 | Confident | 75.9 | Confident | 55 Ų | 55 | 39.2 Ų | 39.2 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 143.9 | 174.6 | -56.4 | 135.1 | 0 | 0 | 0 | 111.9 | D1553 R2346 I2525 W2602 H2606 Q2623 L2627 | D1553-W2604 PolarHBondContact OD2-NE1 3.49Å; R2346-W2604 PolarHBondContact NH2-O 3.06Å; I2525-W2604 HydrophobicContact CB-CZ3 4.49Å; I2525-W2604 HydrophobicContact CD1-CZ3 4.12Å; I2525-W2604 HydrophobicContact CG1-CE3 4.21Å; I2525-W2604 HydrophobicContact CG1-CZ3 3.93Å; I2525-W2604 HydrophobicContact CG2-CE3 4.17Å; I2525-W2604 HydrophobicContact CG2-CZ3 3.98Å; W2602-W2604 AromaticContact CE2-CH2 3.86Å; W2602-W2604 AromaticContact CE2-CZ3 3.67Å; W2602-W2604 AromaticContact CZ2-CH2 3.86Å; W2602-W2604 HydrophobicContact CZ2-CH2 3.86Å; W2602-W2604 AromaticContact CZ2-CZ3 3.68Å; W2602-W2604 HydrophobicContact CZ2-CZ3 3.68Å; W2602-W2604 AromaticContact NE1-CD2 3.95Å; W2602-W2604 AromaticContact NE1-CE3 3.49Å; W2602-W2604 AromaticContact NE1-CH2 3.24Å; W2602-W2604 AromaticContact NE1-CZ2 3.71Å; W2602-W2604 AromaticContact NE1-CZ3 3.11Å; W2604-H2606 PolarHBondContact O-N 3.42Å; W2604-Q2623 HydrophobicContact CE3-CB 4.21Å; W2604-Q2623 HydrophobicContact CH2-CB 3.86Å; W2604-Q2623 VanDerWaalsContact CH2-O 3.27Å; W2604-Q2623 WeakPolarHBondContact CH2-O 3.29Å; W2604-Q2623 HydrophobicContact CZ3-CB 3.67Å; W2604-Q2623 HydrophobicContact CZ3-CG 4.27Å; W2604-L2627 HydrophobicContact CH2-CB 3.67Å; W2604-L2627 HydrophobicContact CH2-CD2 3.94Å; W2604-L2627 HydrophobicContact CH2-CG 4.41Å; W2604-L2627 HydrophobicContact CZ2-CB 4.14Å; W2604-L2627 HydrophobicContact CZ2-CD2 3.56Å; W2604-L2627 HydrophobicContact CZ2-CG 4.48Å |
| 2605 | N | 86.6 | Confident | 76.3 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | trans | -78.1 | 84.9 | 171.3 | -172 | -2.5 | 0 | 0 | 0 | 111.2 | P2326 P2328 G2523 G2524 F2526 M2607 L2608 | P2326-N2605 PolarHBondContact O-ND2 3.48Å; P2328-N2605 WeakPolarHBondContact CD-OD1 3.4Å; G2523-N2605 WeakPolarHBondContact O-CB 3.5Å; G2523-N2605 PolarHBondContact O-ND2 3.26Å; G2524-N2605 WeakPolarHBondContact O-CB 3.09Å; G2524-N2605 PolarHBondContact O-N 3.25Å; F2526-N2605 HydrophobicContact CD2-CB 4.14Å; F2526-N2605 HydrophobicContact CE2-CB 3.45Å; F2526-N2605 VanDerWaalsContact CE2-CB 3.45Å; F2526-N2605 HydrophobicContact CZ-CB 4.05Å; N2605-M2607 PolarHBondContact O-N 2.89Å; N2605-M2607 VanDerWaalsContact O-N 3.12Å; N2605-M2607 WeakPolarHBondContact OD1-CB 3.23Å; N2605-M2607 PolarHBondContact OD1-N 2.86Å; N2605-M2607 VanDerWaalsContact OD1-N 3.1Å; N2605-L2608 HydrophobicContact CB-CD1 4.17Å; N2605-L2608 WeakPolarHBondContact ND2-CD1 3.42Å; N2605-L2608 PolarHBondContact O-N 3Å; N2605-L2608 VanDerWaalsContact O-N 3.14Å | ||
| 2606 | H | 78.6 | Confident | 76.4 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.2 | 177.9 | 72.5 | -85.7 | 0 | 0 | 0 | 114.7 | N257 P2328 R2346 W2604 | N257-H2606 PolarHBondContact ND2-O 3.18Å; N257-H2606 VanDerWaalsContact ND2-O 3.08Å; P2328-H2606 VanDerWaalsContact CB-CE1 3.48Å; P2328-H2606 WeakPolarHBondContact CB-CE1 3.46Å; R2346-H2606 VanDerWaalsContact CZ-CE1 3.45Å; R2346-H2606 PolarHBondContact NE-ND1 3.46Å; R2346-H2606 PolarHBondContact NH1-CE1 3.14Å; R2346-H2606 PolarHBondContact NH2-ND1 2.71Å; R2346-H2606 VanDerWaalsContact NH2-ND1 3.15Å; W2604-H2606 PolarHBondContact O-N 3.42Å |
| 2607 | M | 81 | Confident | 76.4 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -0.1 | 172.4 | -72.9 | -157 | 76.3 | 0 | 0 | 113.9 | D330 P2326 V2327 P2328 N2605 P2609 | D330-M2607 HydrophobicContact CB-CE 4.02Å; D330-M2607 HydrophobicContact CB-CG 4.46Å; D330-M2607 HydrophobicContact CB-SD 3.57Å; D330-M2607 VanDerWaalsContact CB-SD 3.57Å; D330-M2607 WeakPolarHBondContact O-CE 3.47Å; P2326-M2607 HydrophobicContact CB-CB 4.25Å; P2326-M2607 HydrophobicContact CB-CE 4.26Å; P2326-M2607 HydrophobicContact CG-CB 4.5Å; P2326-M2607 WeakPolarHBondContact CG-O 3.12Å; V2327-M2607 VanDerWaalsContact O-SD 3.37Å; P2328-M2607 VanDerWaalsContact CA-SD 3.58Å; P2328-M2607 HydrophobicContact CB-CG 4.23Å; P2328-M2607 HydrophobicContact CB-SD 4.27Å; N2605-M2607 PolarHBondContact O-N 2.89Å; N2605-M2607 VanDerWaalsContact O-N 3.12Å; N2605-M2607 WeakPolarHBondContact OD1-CB 3.23Å; N2605-M2607 PolarHBondContact OD1-N 2.86Å; N2605-M2607 VanDerWaalsContact OD1-N 3.1Å; M2607-P2609 WeakPolarHBondContact O-CD 3.11Å |
| 2608 | L | 78.8 | Confident | 76 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | trans | -99.1 | 80.2 | 175 | -85.3 | 173 | 0 | 0 | 0 | 112.2 | F2325 P2326 G2523 N2605 W2612 R2613 | F2325-L2608 HydrophobicContact CB-CD2 4.05Å; F2325-L2608 HydrophobicContact CD2-CD1 4.23Å; P2326-L2608 HydrophobicContact CG-CD2 4.34Å; G2523-L2608 VanDerWaalsContact O-CD1 3.25Å; G2523-L2608 WeakPolarHBondContact O-CD1 3.34Å; N2605-L2608 HydrophobicContact CB-CD1 4.17Å; N2605-L2608 WeakPolarHBondContact ND2-CD1 3.42Å; N2605-L2608 PolarHBondContact O-N 3Å; N2605-L2608 VanDerWaalsContact O-N 3.14Å; L2608-W2612 HydrophobicContact CD2-CB 3.33Å; L2608-W2612 HydrophobicContact CD2-CG 4.12Å; L2608-R2613 VanDerWaalsContact O-CZ 3.26Å; L2608-R2613 PolarHBondContact O-NE 3.11Å; L2608-R2613 PolarHBondContact O-NH2 3.04Å | ||
| 2609 | P | 66.6 | Low | 75.5 | Confident | 13 Ų | 13 | 32.8 Ų | 32.8 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | trans | -73.1 | 165.8 | 169.8 | 32.8 | -36.6 | 0 | 0 | 0 | 111.1 | M2607 R2611 W2612 R2613 | M2607-P2609 WeakPolarHBondContact O-CD 3.11Å; P2609-R2611 PolarHBondContact O-N 3.28Å; P2609-W2612 PolarHBondContact O-N 3.07Å; P2609-R2613 PolarHBondContact O-N 2.85Å | ||
| 2610 | K | 63.8 | Low | 74.9 | Confident | 67 Ų | 67 | 34.9 Ų | 34.9 | 29% | 0.291 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -7.8 | -173.5 | -72 | 171.9 | -179.4 | 163.4 | 0 | 116.9 | E258 R259 D264 E2620 | E258-K2610 IonicContact OE2-NZ 2.72Å; R259-K2610 WeakPolarHBondContact O-CD 3.26Å; R259-K2610 PolarHBondContact O-NZ 2.97Å; R259-K2610 VanDerWaalsContact O-NZ 3.16Å; D264-K2610 IonicContact OD2-NZ 2.67Å; K2610-E2620 WeakPolarHBondContact CE-OE1 3.18Å; K2610-E2620 IonicContact NZ-OE1 3.54Å; K2610-E2620 PolarHBondContact NZ-OE1 2.77Å; K2610-E2620 IonicContact NZ-OE2 3.73Å; K2610-E2620 PolarHBondContact NZ-OE2 3.05Å |
| 2611 | R | 65.2 | Low | 74.3 | Confident | 134 Ų | 134 | 37.5 Ų | 37.5 | 51% | 0.506 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -40.4 | 167.3 | 177.5 | -178.4 | 171.8 | -155.5 | -8 | 112.4 | S2311 P2609 | S2311-R2611 PolarHBondContact OG-NH2 3.02Å; P2609-R2611 PolarHBondContact O-N 3.28Å |
| 2612 | W | 69.4 | Low | 74.2 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 9% | 0.087 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -22.2 | 178.9 | -64.4 | 92.1 | 0 | 0 | 0 | 111.7 | F1603 V2310 Y2314 F2324 P2326 L2608 P2609 G2614 T2617 | F1603-W2612 HydrophobicContact CD1-CH2 4.4Å; F1603-W2612 AromaticContact CE1-CH2 3.76Å; F1603-W2612 HydrophobicContact CE1-CH2 3.76Å; F1603-W2612 HydrophobicContact CE1-CZ2 4.03Å; V2310-W2612 HydrophobicContact CG1-CH2 3.6Å; V2310-W2612 HydrophobicContact CG1-CZ2 3.78Å; Y2314-W2612 AromaticContact CD2-CE3 3.85Å; Y2314-W2612 HydrophobicContact CD2-CE3 3.85Å; Y2314-W2612 AromaticContact CD2-CZ3 3.48Å; Y2314-W2612 HydrophobicContact CD2-CZ3 3.48Å; Y2314-W2612 VanDerWaalsContact CD2-CZ3 3.48Å; Y2314-W2612 AromaticContact CE2-CE3 3.94Å; Y2314-W2612 HydrophobicContact CE2-CE3 3.94Å; Y2314-W2612 HydrophobicContact CE2-CZ3 4.07Å; Y2314-W2612 HydrophobicContact CG-CE3 4.47Å; Y2314-W2612 AromaticContact CG-CZ3 3.93Å; Y2314-W2612 HydrophobicContact CG-CZ3 3.93Å; F2324-W2612 HydrophobicContact CD1-CH2 4.27Å; F2324-W2612 HydrophobicContact CD1-CZ3 4.06Å; F2324-W2612 HydrophobicContact CE1-CH2 4.13Å; F2324-W2612 HydrophobicContact CE1-CZ3 4.38Å; F2324-W2612 WeakPolarHBondContact O-CZ3 3.42Å; P2326-W2612 VanDerWaalsContact CD-CD2 3.45Å; P2326-W2612 VanDerWaalsContact CD-CE3 3.5Å; P2326-W2612 HydrophobicContact CG-CD2 3.97Å; P2326-W2612 HydrophobicContact CG-CE3 4.49Å; P2326-W2612 HydrophobicContact CG-CG 4.18Å; P2326-W2612 HydrophobicContact CG-CZ2 4.24Å; L2608-W2612 HydrophobicContact CD2-CB 3.33Å; L2608-W2612 HydrophobicContact CD2-CG 4.12Å; P2609-W2612 PolarHBondContact O-N 3.07Å; W2612-G2614 PolarHBondContact O-N 2.93Å; W2612-T2617 WeakPolarHBondContact O-CG2 3.37Å |
| 2613 | R | 68 | Low | 74 | Confident | 42 Ų | 42 | 37.5 Ų | 37.5 | 16% | 0.158 | 18% | 0.18 | C | C | . | . | trans | -68.4 | 104.2 | 176.4 | -60.6 | -174.2 | -168.9 | 162.2 | 5.3 | 111.1 | E258 L2608 P2609 T2617 E2620 | E258-R2613 IonicContact OE1-CZ 3.68Å; E258-R2613 IonicContact OE1-NH1 2.85Å; E258-R2613 PolarHBondContact OE1-NH1 3.45Å; E258-R2613 IonicContact OE1-NH2 2.71Å; E258-R2613 PolarHBondContact OE1-NH2 3.31Å; E258-R2613 IonicContact OE2-NH1 3.25Å; L2608-R2613 VanDerWaalsContact O-CZ 3.26Å; L2608-R2613 PolarHBondContact O-NE 3.11Å; L2608-R2613 PolarHBondContact O-NH2 3.04Å; P2609-R2613 PolarHBondContact O-N 2.85Å; R2613-T2617 WeakPolarHBondContact CA-OG1 3.09Å; R2613-E2620 IonicContact CZ-OE1 2.92Å; R2613-E2620 IonicContact NH1-OE1 2.74Å; R2613-E2620 PolarHBondContact NH1-OE1 2.75Å | ||
| 2614 | G | 65.1 | Low | 73.9 | Confident | 35 Ų | 35 | 40.8 Ų | 40.8 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | trans | -107 | -172.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W2612 L2616 T2617 | W2612-G2614 PolarHBondContact O-N 2.93Å; G2614-L2616 PolarHBondContact O-N 3.42Å; G2614-T2617 PolarHBondContact N-OG1 2.9Å; G2614-T2617 PolarHBondContact O-N 3.46Å; G2614-T2617 PolarHBondContact O-OG1 3.31Å; G2614-T2617 VanDerWaalsContact O-OG1 3.06Å | ||
| 2615 | H | 63.4 | Low | 74 | Confident | 142 Ų | 142 | 39 Ų | 39 | 66% | 0.657 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -13.1 | 171.7 | -62 | 92.4 | 0 | 0 | 0 | 113.6 | ||
| 2616 | L | 63.8 | Low | 74.2 | Confident | 54 Ų | 54 | 38.8 Ų | 38.8 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -25 | -178.7 | -71.8 | 167.6 | 0 | 0 | 0 | 114 | I1608 T1613 S2522 G2614 | I1608-L2616 HydrophobicContact CD1-CD1 3.9Å; I1608-L2616 HydrophobicContact CG1-CD1 4.34Å; I1608-L2616 HydrophobicContact CG2-CD1 4.23Å; I1608-L2616 HydrophobicContact CG2-CD2 3.77Å; T1613-L2616 WeakPolarHBondContact CG2-O 3.41Å; S2522-L2616 WeakPolarHBondContact CA-O 3.29Å; S2522-L2616 VanDerWaalsContact CB-O 3.25Å; S2522-L2616 WeakPolarHBondContact CB-O 3.26Å; G2614-L2616 PolarHBondContact O-N 3.42Å |
| 2617 | T | 66.1 | Low | 74.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -16.5 | -175 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | S2522 W2612 R2613 G2614 | S2522-T2617 VanDerWaalsContact CB-O 3.26Å; S2522-T2617 WeakPolarHBondContact CB-O 3.28Å; S2522-T2617 VanDerWaalsContact O-CA 3.28Å; S2522-T2617 WeakPolarHBondContact O-CA 3.49Å; S2522-T2617 PolarHBondContact OG-O 2.88Å; W2612-T2617 WeakPolarHBondContact O-CG2 3.37Å; R2613-T2617 WeakPolarHBondContact CA-OG1 3.09Å; G2614-T2617 PolarHBondContact N-OG1 2.9Å; G2614-T2617 PolarHBondContact O-N 3.46Å; G2614-T2617 PolarHBondContact O-OG1 3.31Å; G2614-T2617 VanDerWaalsContact O-OG1 3.06Å |
| 2618 | G | 64.2 | Low | 75.3 | Confident | 5 Ų | 5 | 39 Ų | 39 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | trans | 75.2 | 164.2 | -156.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2619 | D | 72.9 | Confident | 76 | Confident | 37 Ų | 37 | 38.9 Ų | 38.9 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | trans | -98.7 | -177.1 | 163.8 | 52.1 | 19.5 | 0 | 0 | 0 | 110.2 | R1621 L2621 F2622 Q2623 | R1621-D2619 IonicContact CZ-OD2 3.61Å; R1621-D2619 IonicContact NE-OD2 2.73Å; R1621-D2619 PolarHBondContact NE-OD2 3.23Å; R1621-D2619 VanDerWaalsContact NE-OD2 3.12Å; R1621-D2619 IonicContact NH2-OD2 2.71Å; R1621-D2619 PolarHBondContact NH2-OD2 3.44Å; D2619-L2621 PolarHBondContact O-N 2.95Å; D2619-L2621 PolarHBondContact OD1-N 2.72Å; D2619-F2622 PolarHBondContact O-N 3.36Å; D2619-F2622 PolarHBondContact OD1-N 3.24Å; D2619-Q2623 PolarHBondContact O-N 2.8Å | ||
| 2620 | E | 74.8 | Confident | 77.3 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 20% | 0.201 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.2 | -40.7 | 174.1 | -75.4 | 114.2 | -93.2 | 0 | 0 | 111.8 | K2610 R2613 F2622 Q2623 D2624 | K2610-E2620 WeakPolarHBondContact CE-OE1 3.18Å; K2610-E2620 IonicContact NZ-OE1 3.54Å; K2610-E2620 PolarHBondContact NZ-OE1 2.77Å; K2610-E2620 IonicContact NZ-OE2 3.73Å; K2610-E2620 PolarHBondContact NZ-OE2 3.05Å; R2613-E2620 IonicContact CZ-OE1 2.92Å; R2613-E2620 IonicContact NH1-OE1 2.74Å; R2613-E2620 PolarHBondContact NH1-OE1 2.75Å; E2620-F2622 PolarHBondContact O-N 3.42Å; E2620-Q2623 PolarHBondContact O-N 2.85Å; E2620-Q2623 VanDerWaalsContact O-N 3.15Å; E2620-D2624 PolarHBondContact O-N 3.46Å |
| 2621 | L | 79.9 | Confident | 78.7 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 29% | 0.288 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.2 | -39.2 | -178.5 | -58 | 177.1 | 0 | 0 | 0 | 112.7 | I1620 R1621 D2619 Q2623 G2625 | I1620-L2621 WeakPolarHBondContact CG2-O 3.19Å; R1621-L2621 HydrophobicContact CG-CD1 4.23Å; D2619-L2621 PolarHBondContact O-N 2.95Å; D2619-L2621 PolarHBondContact OD1-N 2.72Å; L2621-Q2623 VanDerWaalsContact C-N 3.33Å; L2621-G2625 PolarHBondContact O-N 2.97Å |
| 2622 | F | 86.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 171.7 | 171.6 | -93.4 | 0 | 0 | 0 | 111.6 | T1613 L1616 A1617 I1620 H2520 I2525 D2619 E2620 G2625 M2626 | T1613-F2622 HydrophobicContact CG2-CZ 4.28Å; L1616-F2622 HydrophobicContact CB-CD2 4.33Å; L1616-F2622 HydrophobicContact CB-CE2 3.84Å; L1616-F2622 HydrophobicContact CD1-CE2 4.43Å; A1617-F2622 HydrophobicContact CB-CB 4.23Å; A1617-F2622 HydrophobicContact CB-CD2 3.85Å; A1617-F2622 HydrophobicContact CB-CG 4.27Å; I1620-F2622 HydrophobicContact CD1-CD2 3.96Å; I1620-F2622 HydrophobicContact CD1-CE2 4.47Å; H2520-F2622 AromaticContact CE1-CE1 3.8Å; H2520-F2622 AromaticContact CE1-CZ 3.55Å; I2525-F2622 HydrophobicContact CD1-CE1 4.38Å; D2619-F2622 PolarHBondContact O-N 3.36Å; D2619-F2622 PolarHBondContact OD1-N 3.24Å; E2620-F2622 PolarHBondContact O-N 3.42Å; F2622-G2625 PolarHBondContact O-N 3.3Å; F2622-M2626 HydrophobicContact CD1-CG 4.21Å; F2622-M2626 HydrophobicContact CD2-CG 4.39Å; F2622-M2626 HydrophobicContact CE1-CG 3.69Å; F2622-M2626 HydrophobicContact CE1-SD 4.5Å; F2622-M2626 HydrophobicContact CE2-CG 3.9Å; F2622-M2626 HydrophobicContact CE2-SD 4.14Å; F2622-M2626 HydrophobicContact CZ-CG 3.5Å; F2622-M2626 VanDerWaalsContact CZ-CG 3.5Å; F2622-M2626 HydrophobicContact CZ-SD 3.79Å; F2622-M2626 WeakPolarHBondContact O-CB 3.26Å; F2622-M2626 VanDerWaalsContact O-CG 3.27Å; F2622-M2626 WeakPolarHBondContact O-CG 3.43Å; F2622-M2626 PolarHBondContact O-N 2.98Å |
| 2623 | Q | 86 | Confident | 81.1 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 7% | 0.065 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -50.4 | 179.8 | -68.3 | -176.6 | 21.3 | 0 | 0 | 111.2 | I2525 W2604 D2619 E2620 L2621 G2625 M2626 L2627 | I2525-Q2623 HydrophobicContact CD1-CG 4.44Å; I2525-Q2623 HydrophobicContact CG1-CG 4.27Å; W2604-Q2623 HydrophobicContact CE3-CB 4.21Å; W2604-Q2623 HydrophobicContact CH2-CB 3.86Å; W2604-Q2623 VanDerWaalsContact CH2-O 3.27Å; W2604-Q2623 WeakPolarHBondContact CH2-O 3.29Å; W2604-Q2623 HydrophobicContact CZ3-CB 3.67Å; W2604-Q2623 HydrophobicContact CZ3-CG 4.27Å; D2619-Q2623 PolarHBondContact O-N 2.8Å; E2620-Q2623 PolarHBondContact O-N 2.85Å; E2620-Q2623 VanDerWaalsContact O-N 3.15Å; L2621-Q2623 VanDerWaalsContact C-N 3.33Å; Q2623-G2625 VanDerWaalsContact C-N 3.3Å; Q2623-G2625 PolarHBondContact O-N 3.44Å; Q2623-M2626 WeakPolarHBondContact O-CB 3.08Å; Q2623-M2626 PolarHBondContact O-N 3.21Å; Q2623-L2627 PolarHBondContact O-N 3.43Å |
| 2624 | D | 84.7 | Confident | 82.2 | Confident | 79 Ų | 79 | 28.7 Ų | 28.7 | 42% | 0.422 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.8 | -42.2 | 176 | -71.2 | -23.8 | 0 | 0 | 0 | 112 | E2620 L2627 A2628 | E2620-D2624 PolarHBondContact O-N 3.46Å; D2624-L2627 PolarHBondContact O-N 2.78Å; D2624-A2628 WeakPolarHBondContact O-CB 3.08Å; D2624-A2628 PolarHBondContact O-N 3.09Å |
| 2625 | G | 88.6 | Confident | 83.3 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 18% | 0.175 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L2621 F2622 Q2623 A2628 D2629 | L2621-G2625 PolarHBondContact O-N 2.97Å; F2622-G2625 PolarHBondContact O-N 3.3Å; Q2623-G2625 VanDerWaalsContact C-N 3.3Å; Q2623-G2625 PolarHBondContact O-N 3.44Å; G2625-A2628 PolarHBondContact O-N 3.38Å; G2625-D2629 PolarHBondContact O-N 3.49Å |
| 2626 | M | 91.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 174.5 | -76.9 | -74.7 | -67.1 | 0 | 0 | 111.7 | C1632 H2520 I2525 W2602 F2622 Q2623 D2629 F2630 | C1632-M2626 HydrophobicContact CB-SD 3.58Å; C1632-M2626 VanDerWaalsContact CB-SD 3.58Å; H2520-M2626 WeakPolarHBondContact NE2-CE 3.26Å; I2525-M2626 HydrophobicContact CD1-CB 3.96Å; I2525-M2626 HydrophobicContact CD1-CE 4.48Å; I2525-M2626 HydrophobicContact CD1-CG 4.14Å; W2602-M2626 HydrophobicContact CH2-CB 4.41Å; F2622-M2626 HydrophobicContact CD1-CG 4.21Å; F2622-M2626 HydrophobicContact CD2-CG 4.39Å; F2622-M2626 HydrophobicContact CE1-CG 3.69Å; F2622-M2626 HydrophobicContact CE1-SD 4.5Å; F2622-M2626 HydrophobicContact CE2-CG 3.9Å; F2622-M2626 HydrophobicContact CE2-SD 4.14Å; F2622-M2626 HydrophobicContact CZ-CG 3.5Å; F2622-M2626 VanDerWaalsContact CZ-CG 3.5Å; F2622-M2626 HydrophobicContact CZ-SD 3.79Å; F2622-M2626 WeakPolarHBondContact O-CB 3.26Å; F2622-M2626 VanDerWaalsContact O-CG 3.27Å; F2622-M2626 WeakPolarHBondContact O-CG 3.43Å; F2622-M2626 PolarHBondContact O-N 2.98Å; Q2623-M2626 WeakPolarHBondContact O-CB 3.08Å; Q2623-M2626 PolarHBondContact O-N 3.21Å; M2626-D2629 PolarHBondContact O-N 3.08Å; M2626-F2630 WeakPolarHBondContact O-CB 3.13Å; M2626-F2630 PolarHBondContact O-N 3.41Å |
| 2627 | L | 91.7 | Very high | 85.4 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.6 | -35.5 | 178.6 | 176.2 | 59.8 | 0 | 0 | 0 | 112.1 | D1553 I2349 L2351 W2602 W2604 Q2623 D2624 R2631 | D1553-L2627 HydrophobicContact CB-CD2 4.36Å; I2349-L2627 HydrophobicContact CD1-CD2 4.28Å; L2351-L2627 HydrophobicContact CD1-CD1 3.75Å; L2351-L2627 HydrophobicContact CD2-CD1 4.09Å; W2602-L2627 HydrophobicContact CD2-CD1 3.93Å; W2602-L2627 HydrophobicContact CE3-CD1 4.44Å; W2602-L2627 HydrophobicContact CG-CD1 4.16Å; W2602-L2627 HydrophobicContact CH2-CB 4.42Å; W2602-L2627 HydrophobicContact CZ2-CB 3.71Å; W2602-L2627 HydrophobicContact CZ2-CD1 4.11Å; W2602-L2627 HydrophobicContact CZ2-CG 4.46Å; W2604-L2627 HydrophobicContact CH2-CB 3.67Å; W2604-L2627 HydrophobicContact CH2-CD2 3.94Å; W2604-L2627 HydrophobicContact CH2-CG 4.41Å; W2604-L2627 HydrophobicContact CZ2-CB 4.14Å; W2604-L2627 HydrophobicContact CZ2-CD2 3.56Å; W2604-L2627 HydrophobicContact CZ2-CG 4.48Å; Q2623-L2627 PolarHBondContact O-N 3.43Å; D2624-L2627 PolarHBondContact O-N 2.78Å; L2627-R2631 HydrophobicContact CD1-CG 4.04Å; L2627-R2631 VanDerWaalsContact O-CB 3.25Å; L2627-R2631 WeakPolarHBondContact O-CB 3.42Å; L2627-R2631 WeakPolarHBondContact O-CD 2.92Å; L2627-R2631 WeakPolarHBondContact O-CG 3.45Å; L2627-R2631 PolarHBondContact O-N 3.21Å |
| 2628 | A | 89.8 | Confident | 86.3 | Confident | 51 Ų | 51 | 29.1 Ų | 29.1 | 42% | 0.421 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -65.9 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | D2624 G2625 A2632 | D2624-A2628 WeakPolarHBondContact O-CB 3.08Å; D2624-A2628 PolarHBondContact O-N 3.09Å; G2625-A2628 PolarHBondContact O-N 3.38Å; A2628-A2632 PolarHBondContact O-N 2.97Å; A2628-A2632 VanDerWaalsContact O-N 3.12Å |
| 2629 | D | 94.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.9 | -41.5 | 178.2 | -166 | 60.3 | 0 | 0 | 0 | 112.7 | R1629 I1630 Q1631 C1632 G2625 M2626 R2631 A2632 F2633 R2640 | R1629-D2629 WeakPolarHBondContact CD-OD1 3.43Å; R1629-D2629 HydrophobicContact CG-CB 4.42Å; R1629-D2629 IonicContact NE-OD1 2.71Å; I1630-D2629 WeakPolarHBondContact O-CB 3.46Å; Q1631-D2629 WeakPolarHBondContact CA-OD2 3.38Å; C1632-D2629 HydrophobicContact CB-CB 4.38Å; C1632-D2629 PolarHBondContact N-OD2 3.39Å; G2625-D2629 PolarHBondContact O-N 3.49Å; M2626-D2629 PolarHBondContact O-N 3.08Å; D2629-R2631 VanDerWaalsContact C-N 3.32Å; D2629-R2631 PolarHBondContact O-N 3.37Å; D2629-A2632 PolarHBondContact O-N 3.47Å; D2629-A2632 VanDerWaalsContact O-N 3.16Å; D2629-F2633 WeakPolarHBondContact O-CB 3.24Å; D2629-F2633 PolarHBondContact O-N 2.88Å; D2629-R2640 IonicContact OD1-CZ 2.88Å; D2629-R2640 IonicContact OD1-NH1 3.05Å; D2629-R2640 IonicContact OD1-NH2 2.81Å; D2629-R2640 PolarHBondContact OD1-NH2 3.44Å; D2629-R2640 IonicContact OD2-CZ 2.76Å; D2629-R2640 IonicContact OD2-NH1 3.45Å; D2629-R2640 PolarHBondContact OD2-NH1 3.01Å; D2629-R2640 IonicContact OD2-NH2 3.49Å; D2629-R2640 PolarHBondContact OD2-NH2 3.11Å |
| 2630 | F | 94.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 176 | -166.5 | -108.2 | 0 | 0 | 0 | 111.7 | L2351 I2480 L2481 F2484 Y2600 W2602 M2626 L2634 | L2351-F2630 HydrophobicContact CD1-CD1 3.76Å; L2351-F2630 HydrophobicContact CD1-CE1 4.04Å; I2480-F2630 HydrophobicContact CG2-CE2 3.8Å; I2480-F2630 HydrophobicContact CG2-CZ 4.23Å; L2481-F2630 HydrophobicContact CD2-CE2 4.34Å; L2481-F2630 HydrophobicContact CD2-CZ 3.92Å; F2484-F2630 HydrophobicContact CB-CD2 4.32Å; F2484-F2630 HydrophobicContact CB-CE2 4.42Å; F2484-F2630 AromaticContact CD1-CD2 3.84Å; F2484-F2630 HydrophobicContact CD1-CD2 3.84Å; F2484-F2630 AromaticContact CD2-CD2 3.59Å; F2484-F2630 HydrophobicContact CD2-CD2 3.59Å; F2484-F2630 AromaticContact CD2-CE2 3.7Å; F2484-F2630 HydrophobicContact CD2-CE2 3.7Å; F2484-F2630 HydrophobicContact CE1-CB 4.34Å; F2484-F2630 AromaticContact CE1-CD2 3.94Å; F2484-F2630 HydrophobicContact CE1-CD2 3.94Å; F2484-F2630 AromaticContact CE2-CD2 3.7Å; F2484-F2630 HydrophobicContact CE2-CD2 3.7Å; F2484-F2630 HydrophobicContact CE2-CE2 4.04Å; F2484-F2630 AromaticContact CG-CD2 3.66Å; F2484-F2630 HydrophobicContact CG-CD2 3.66Å; F2484-F2630 HydrophobicContact CG-CE2 4.03Å; F2484-F2630 AromaticContact CZ-CD2 3.87Å; F2484-F2630 HydrophobicContact CZ-CD2 3.87Å; Y2600-F2630 HydrophobicContact CD2-CE1 4.03Å; Y2600-F2630 HydrophobicContact CD2-CZ 4.05Å; Y2600-F2630 HydrophobicContact CE2-CE1 4.45Å; Y2600-F2630 HydrophobicContact CE2-CZ 4.06Å; Y2600-F2630 HydrophobicContact CG-CE1 4.36Å; Y2600-F2630 HydrophobicContact CG-CZ 4.38Å; W2602-F2630 AromaticContact CE3-CD1 3.9Å; W2602-F2630 HydrophobicContact CE3-CD1 3.9Å; W2602-F2630 HydrophobicContact CE3-CE1 4.15Å; W2602-F2630 HydrophobicContact CH2-CB 4.3Å; W2602-F2630 HydrophobicContact CH2-CD1 4.47Å; W2602-F2630 HydrophobicContact CH2-CG 4.47Å; W2602-F2630 HydrophobicContact CZ3-CB 4.12Å; W2602-F2630 AromaticContact CZ3-CD1 3.52Å; W2602-F2630 HydrophobicContact CZ3-CD1 3.52Å; W2602-F2630 HydrophobicContact CZ3-CE1 4.01Å; W2602-F2630 AromaticContact CZ3-CG 3.83Å; W2602-F2630 HydrophobicContact CZ3-CG 3.83Å; M2626-F2630 WeakPolarHBondContact O-CB 3.13Å; M2626-F2630 PolarHBondContact O-N 3.41Å; F2630-L2634 HydrophobicContact CD1-CD1 3.91Å; F2630-L2634 HydrophobicContact CD1-CG 4.45Å; F2630-L2634 HydrophobicContact CE1-CD1 3.54Å; F2630-L2634 HydrophobicContact CE1-CG 4.28Å; F2630-L2634 HydrophobicContact CZ-CD1 4.06Å; F2630-L2634 HydrophobicContact CZ-CG 4.48Å; F2630-L2634 WeakPolarHBondContact O-CB 3.22Å; F2630-L2634 WeakPolarHBondContact O-CG 3.36Å; F2630-L2634 PolarHBondContact O-N 2.69Å |
| 2631 | R | 91.9 | Very high | 88.9 | Confident | 59 Ų | 59 | 31.5 Ų | 31.5 | 22% | 0.223 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 171.9 | -80.9 | 168.6 | 167.5 | 175.2 | -5.5 | 112.4 | D1553 I2349 L2351 L2627 D2629 L2634 N2635 | D1553-R2631 PolarHBondContact O-NH1 3.15Å; D1553-R2631 PolarHBondContact O-NH2 3.36Å; I2349-R2631 VanDerWaalsContact CG2-NH2 3.29Å; L2351-R2631 HydrophobicContact CD2-CG 3.84Å; L2627-R2631 HydrophobicContact CD1-CG 4.04Å; L2627-R2631 VanDerWaalsContact O-CB 3.25Å; L2627-R2631 WeakPolarHBondContact O-CB 3.42Å; L2627-R2631 WeakPolarHBondContact O-CD 2.92Å; L2627-R2631 WeakPolarHBondContact O-CG 3.45Å; L2627-R2631 PolarHBondContact O-N 3.21Å; D2629-R2631 VanDerWaalsContact C-N 3.32Å; D2629-R2631 PolarHBondContact O-N 3.37Å; R2631-L2634 PolarHBondContact O-N 2.86Å; R2631-N2635 WeakPolarHBondContact O-CB 3.13Å; R2631-N2635 PolarHBondContact O-N 3.31Å; R2631-N2635 PolarHBondContact O-ND2 2.62Å |
| 2632 | A | 90.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A2628 D2629 N2635 G2636 E2637 | A2628-A2632 PolarHBondContact O-N 2.97Å; A2628-A2632 VanDerWaalsContact O-N 3.12Å; D2629-A2632 PolarHBondContact O-N 3.47Å; D2629-A2632 VanDerWaalsContact O-N 3.16Å; A2632-N2635 PolarHBondContact O-N 3.16Å; A2632-G2636 PolarHBondContact O-N 2.76Å; A2632-E2637 HydrophobicContact CB-CB 4.31Å; A2632-E2637 HydrophobicContact CB-CG 4.43Å; A2632-E2637 WeakPolarHBondContact CB-OE2 3.18Å; A2632-E2637 PolarHBondContact O-N 3.01Å |
| 2633 | F | 94 | Very high | 89.2 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.7 | -49.3 | 172.4 | 175.4 | -86.9 | 0 | 0 | 0 | 111.1 | I2480 F2484 D2629 N2635 G2636 R2640 L2641 L2644 | I2480-F2633 HydrophobicContact CD1-CE1 4.28Å; I2480-F2633 HydrophobicContact CG1-CE1 4.07Å; I2480-F2633 HydrophobicContact CG1-CZ 4.37Å; I2480-F2633 HydrophobicContact CG2-CD1 4.47Å; I2480-F2633 HydrophobicContact CG2-CE1 3.81Å; F2484-F2633 HydrophobicContact CE2-CB 4.35Å; F2484-F2633 AromaticContact CE2-CD1 3.79Å; F2484-F2633 HydrophobicContact CE2-CD1 3.79Å; F2484-F2633 HydrophobicContact CE2-CD2 4.03Å; F2484-F2633 HydrophobicContact CE2-CE1 4.09Å; F2484-F2633 HydrophobicContact CE2-CE2 4.29Å; F2484-F2633 AromaticContact CE2-CG 3.79Å; F2484-F2633 HydrophobicContact CE2-CG 3.79Å; F2484-F2633 HydrophobicContact CE2-CZ 4.34Å; F2484-F2633 HydrophobicContact CZ-CB 3.81Å; F2484-F2633 HydrophobicContact CZ-CD1 4.14Å; F2484-F2633 AromaticContact CZ-CD2 3.99Å; F2484-F2633 HydrophobicContact CZ-CD2 3.99Å; F2484-F2633 AromaticContact CZ-CG 3.71Å; F2484-F2633 HydrophobicContact CZ-CG 3.71Å; D2629-F2633 WeakPolarHBondContact O-CB 3.24Å; D2629-F2633 PolarHBondContact O-N 2.88Å; F2633-N2635 VanDerWaalsContact C-N 3.33Å; F2633-N2635 PolarHBondContact O-N 3.41Å; F2633-G2636 WeakPolarHBondContact O-CA 2.96Å; F2633-G2636 PolarHBondContact O-N 3.14Å; F2633-R2640 HydrophobicContact CD2-CB 3.67Å; F2633-R2640 HydrophobicContact CE2-CB 3.7Å; F2633-L2641 HydrophobicContact CE1-CB 4.46Å; F2633-L2641 HydrophobicContact CE1-CD1 3.77Å; F2633-L2641 HydrophobicContact CZ-CB 4.32Å; F2633-L2641 HydrophobicContact CZ-CD1 4.02Å; F2633-L2641 WeakPolarHBondContact O-CB 3.16Å; F2633-L2644 HydrophobicContact CZ-CD2 3.85Å |
| 2634 | L | 91.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69 | -27.4 | 178.8 | -67.1 | -176 | 0 | 0 | 0 | 113.9 | L2351 V2353 N2354 Y2600 F2630 R2631 G2636 | L2351-L2634 HydrophobicContact CB-CD1 4.15Å; V2353-L2634 HydrophobicContact CG1-CD2 4.3Å; V2353-L2634 HydrophobicContact CG2-CD2 4.13Å; N2354-L2634 VanDerWaalsContact CB-O 3.25Å; N2354-L2634 WeakPolarHBondContact CB-O 3.19Å; N2354-L2634 PolarHBondContact N-O 3.36Å; Y2600-L2634 HydrophobicContact CD2-CD1 3.65Å; Y2600-L2634 HydrophobicContact CE2-CD1 3.82Å; Y2600-L2634 HydrophobicContact CE2-CD2 3.82Å; Y2600-L2634 HydrophobicContact CE2-CG 4.49Å; F2630-L2634 HydrophobicContact CD1-CD1 3.91Å; F2630-L2634 HydrophobicContact CD1-CG 4.45Å; F2630-L2634 HydrophobicContact CE1-CD1 3.54Å; F2630-L2634 HydrophobicContact CE1-CG 4.28Å; F2630-L2634 HydrophobicContact CZ-CD1 4.06Å; F2630-L2634 HydrophobicContact CZ-CG 4.48Å; F2630-L2634 WeakPolarHBondContact O-CB 3.22Å; F2630-L2634 WeakPolarHBondContact O-CG 3.36Å; F2630-L2634 PolarHBondContact O-N 2.69Å; R2631-L2634 PolarHBondContact O-N 2.86Å; L2634-G2636 VanDerWaalsContact C-N 3.27Å |
| 2635 | N | 88.5 | Confident | 89.2 | Confident | 66 Ų | 66 | 33.9 Ų | 33.9 | 35% | 0.353 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -69.4 | -24.7 | 168.1 | -74 | -16.5 | 0 | 0 | 0 | 112.6 | N2354 I2357 R2631 A2632 F2633 E2637 | N2354-N2635 WeakPolarHBondContact CB-O 3.25Å; N2354-N2635 PolarHBondContact ND2-O 2.88Å; I2357-N2635 VanDerWaalsContact CD1-O 3.28Å; I2357-N2635 WeakPolarHBondContact CD1-O 3.48Å; R2631-N2635 WeakPolarHBondContact O-CB 3.13Å; R2631-N2635 PolarHBondContact O-N 3.31Å; R2631-N2635 PolarHBondContact O-ND2 2.62Å; A2632-N2635 PolarHBondContact O-N 3.16Å; F2633-N2635 VanDerWaalsContact C-N 3.33Å; F2633-N2635 PolarHBondContact O-N 3.41Å; N2635-E2637 HydrophobicContact CB-CG 3.92Å; N2635-E2637 PolarHBondContact ND2-OE1 2.71Å |
| 2636 | G | 85.2 | Confident | 88.9 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 29 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | A2632 F2633 L2634 D2638 | A2632-G2636 PolarHBondContact O-N 2.76Å; F2633-G2636 WeakPolarHBondContact O-CA 2.96Å; F2633-G2636 PolarHBondContact O-N 3.14Å; L2634-G2636 VanDerWaalsContact C-N 3.27Å; G2636-D2638 VanDerWaalsContact C-N 3.31Å; G2636-D2638 PolarHBondContact O-N 3.5Å |
| 2637 | E | 86.2 | Confident | 88.5 | Confident | 104 Ų | 104 | 39.5 Ų | 39.5 | 49% | 0.486 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -18.8 | -173.2 | -70.2 | 171.5 | -148.9 | 0 | 0 | 115.4 | R1629 A2632 N2635 | R1629-E2637 IonicContact CZ-OE2 2.85Å; R1629-E2637 IonicContact NH1-OE2 2.84Å; R1629-E2637 PolarHBondContact NH1-OE2 2.84Å; R1629-E2637 IonicContact NH2-OE2 3.88Å; R1629-E2637 PolarHBondContact NH2-OE2 2.96Å; A2632-E2637 HydrophobicContact CB-CB 4.31Å; A2632-E2637 HydrophobicContact CB-CG 4.43Å; A2632-E2637 WeakPolarHBondContact CB-OE2 3.18Å; A2632-E2637 PolarHBondContact O-N 3.01Å; N2635-E2637 HydrophobicContact CB-CG 3.92Å; N2635-E2637 PolarHBondContact ND2-OE1 2.71Å |
| 2638 | D | 84.4 | Confident | 88 | Confident | 59 Ų | 59 | 41 Ų | 41 | 32% | 0.316 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 18.2 | -174.6 | -60 | -46.7 | 0 | 0 | 0 | 113.4 | R1629 G2636 R2640 | R1629-D2638 IonicContact CZ-OD1 3.68Å; R1629-D2638 IonicContact CZ-OD2 2.62Å; R1629-D2638 IonicContact NE-OD2 3.89Å; R1629-D2638 IonicContact NH2-OD1 3.31Å; R1629-D2638 PolarHBondContact NH2-OD1 2.8Å; R1629-D2638 IonicContact NH2-OD2 3.77Å; R1629-D2638 PolarHBondContact NH2-OD2 3.25Å; G2636-D2638 VanDerWaalsContact C-N 3.31Å; G2636-D2638 PolarHBondContact O-N 3.5Å; D2638-R2640 HydrophobicContact CB-CG 4.21Å; D2638-R2640 PolarHBondContact O-N 3.32Å; D2638-R2640 IonicContact OD2-CZ 3.3Å; D2638-R2640 IonicContact OD2-NE 2.76Å; D2638-R2640 PolarHBondContact OD2-NE 3.17Å; D2638-R2640 IonicContact OD2-NH2 3.24Å; D2638-R2640 PolarHBondContact OD2-NH2 3.41Å |
| 2639 | D | 85.1 | Confident | 87.2 | Confident | 115 Ų | 115 | 39.5 Ų | 39.5 | 62% | 0.615 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 56.1 | -10 | -169.8 | -69.8 | -42.6 | 0 | 0 | 0 | 116.8 | L2641 F2642 E2643 | D2639-L2641 PolarHBondContact O-N 3.07Å; D2639-L2641 VanDerWaalsContact O-N 3.08Å; D2639-F2642 WeakPolarHBondContact O-CA 3.37Å; D2639-F2642 VanDerWaalsContact O-CB 3.26Å; D2639-F2642 WeakPolarHBondContact O-CB 2.92Å; D2639-F2642 PolarHBondContact O-N 3.15Å; D2639-E2643 PolarHBondContact O-N 3.44Å |
| 2640 | R | 91 | Very high | 86.2 | Confident | 19 Ų | 19 | 44.8 Ų | 44.8 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -50.3 | -37.7 | 179 | -72.3 | -175.5 | -75.8 | 159.6 | -3.5 | 114 | D1633 D2629 F2633 D2638 L2644 | D1633-R2640 IonicContact OD1-CZ 3.53Å; D1633-R2640 IonicContact OD1-NH1 3.86Å; D1633-R2640 PolarHBondContact OD1-NH1 2.85Å; D2629-R2640 IonicContact OD1-CZ 2.88Å; D2629-R2640 IonicContact OD1-NH1 3.05Å; D2629-R2640 IonicContact OD1-NH2 2.81Å; D2629-R2640 PolarHBondContact OD1-NH2 3.44Å; D2629-R2640 IonicContact OD2-CZ 2.76Å; D2629-R2640 IonicContact OD2-NH1 3.45Å; D2629-R2640 PolarHBondContact OD2-NH1 3.01Å; D2629-R2640 IonicContact OD2-NH2 3.49Å; D2629-R2640 PolarHBondContact OD2-NH2 3.11Å; F2633-R2640 HydrophobicContact CD2-CB 3.67Å; F2633-R2640 HydrophobicContact CE2-CB 3.7Å; D2638-R2640 HydrophobicContact CB-CG 4.21Å; D2638-R2640 PolarHBondContact O-N 3.32Å; D2638-R2640 IonicContact OD2-CZ 3.3Å; D2638-R2640 IonicContact OD2-NE 2.76Å; D2638-R2640 PolarHBondContact OD2-NE 3.17Å; D2638-R2640 IonicContact OD2-NH2 3.24Å; D2638-R2640 PolarHBondContact OD2-NH2 3.41Å; R2640-L2644 WeakPolarHBondContact O-CB 3.22Å; R2640-L2644 PolarHBondContact O-N 3Å |
| 2641 | L | 89.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70 | -38.4 | 176.1 | -179.5 | 66.4 | 0 | 0 | 0 | 112.3 | V2353 L2358 F2476 I2480 F2633 D2639 F2645 | V2353-L2641 HydrophobicContact CG1-CD2 4.07Å; L2358-L2641 HydrophobicContact CD2-CD1 4.27Å; L2358-L2641 HydrophobicContact CD2-CD2 4.3Å; L2358-L2641 HydrophobicContact CD2-CG 4.06Å; F2476-L2641 HydrophobicContact CE1-CD1 4.44Å; F2476-L2641 HydrophobicContact CZ-CD1 4.03Å; I2480-L2641 HydrophobicContact CD1-CD1 4.25Å; F2633-L2641 HydrophobicContact CE1-CB 4.46Å; F2633-L2641 HydrophobicContact CE1-CD1 3.77Å; F2633-L2641 HydrophobicContact CZ-CB 4.32Å; F2633-L2641 HydrophobicContact CZ-CD1 4.02Å; F2633-L2641 WeakPolarHBondContact O-CB 3.16Å; D2639-L2641 PolarHBondContact O-N 3.07Å; D2639-L2641 VanDerWaalsContact O-N 3.08Å; L2641-F2645 WeakPolarHBondContact O-CB 3.13Å; L2641-F2645 PolarHBondContact O-N 3.15Å |
| 2642 | F | 87.3 | Confident | 83.9 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 20% | 0.202 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 174.4 | 177.2 | -75 | 0 | 0 | 0 | 110.1 | I2357 V2361 K2364 D2639 N2646 | I2357-F2642 HydrophobicContact CG2-CB 4.37Å; V2361-F2642 HydrophobicContact CB-CD2 4.14Å; V2361-F2642 HydrophobicContact CB-CE2 4.02Å; V2361-F2642 HydrophobicContact CG1-CE2 4.26Å; V2361-F2642 HydrophobicContact CG1-CZ 4.38Å; V2361-F2642 HydrophobicContact CG2-CB 4.08Å; V2361-F2642 HydrophobicContact CG2-CD2 3.18Å; V2361-F2642 HydrophobicContact CG2-CE2 3.56Å; V2361-F2642 HydrophobicContact CG2-CG 3.69Å; V2361-F2642 HydrophobicContact CG2-CZ 4.39Å; K2364-F2642 HydrophobicContact CD-CE2 3.66Å; K2364-F2642 HydrophobicContact CD-CZ 3.88Å; D2639-F2642 WeakPolarHBondContact O-CA 3.37Å; D2639-F2642 VanDerWaalsContact O-CB 3.26Å; D2639-F2642 WeakPolarHBondContact O-CB 2.92Å; D2639-F2642 PolarHBondContact O-N 3.15Å; F2642-N2646 VanDerWaalsContact O-CB 3.26Å; F2642-N2646 WeakPolarHBondContact O-CB 3.17Å; F2642-N2646 PolarHBondContact O-N 3.11Å |
| 2643 | E | 85.4 | Confident | 82.3 | Confident | 141 Ų | 141 | 47.7 Ų | 47.7 | 66% | 0.659 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.4 | -46 | 178.5 | -172.6 | 177.5 | -158.6 | 0 | 0 | 112.1 | D2639 F2645 N2646 R2647 | D2639-E2643 PolarHBondContact O-N 3.44Å; E2643-F2645 PolarHBondContact O-N 3.39Å; E2643-N2646 PolarHBondContact O-N 2.77Å; E2643-R2647 PolarHBondContact O-N 2.9Å |
| 2644 | L | 86.1 | Confident | 80.6 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 178 | -176 | 68.7 | 0 | 0 | 0 | 111.8 | F2476 I2480 F2633 R2640 N2646 R2647 F2648 | F2476-L2644 HydrophobicContact CE2-CD2 4.13Å; F2476-L2644 HydrophobicContact CE2-CG 4.11Å; I2480-L2644 HydrophobicContact CB-CD2 4.47Å; I2480-L2644 HydrophobicContact CG1-CD2 3.47Å; I2480-L2644 VanDerWaalsContact CG1-CD2 3.47Å; F2633-L2644 HydrophobicContact CZ-CD2 3.85Å; R2640-L2644 WeakPolarHBondContact O-CB 3.22Å; R2640-L2644 PolarHBondContact O-N 3Å; L2644-N2646 VanDerWaalsContact C-N 3.34Å; L2644-R2647 WeakPolarHBondContact O-CB 3.08Å; L2644-R2647 PolarHBondContact O-N 3.45Å; L2644-F2648 WeakPolarHBondContact O-CB 3.44Å; L2644-F2648 PolarHBondContact O-N 3.31Å |
| 2645 | F | 85 | Confident | 78.7 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -35.5 | 178.8 | -172.1 | -115.9 | 0 | 0 | 0 | 111.8 | L2358 V2361 F2476 L2641 E2643 F2648 M2649 | L2358-F2645 HydrophobicContact CB-CD1 4.31Å; L2358-F2645 HydrophobicContact CB-CE1 4.18Å; L2358-F2645 HydrophobicContact CD2-CB 3.85Å; L2358-F2645 HydrophobicContact CD2-CD1 3.97Å; L2358-F2645 HydrophobicContact CD2-CD2 4.13Å; L2358-F2645 HydrophobicContact CD2-CG 3.72Å; V2361-F2645 HydrophobicContact CB-CD1 3.69Å; V2361-F2645 HydrophobicContact CB-CE1 4.19Å; V2361-F2645 HydrophobicContact CG1-CD1 3.74Å; V2361-F2645 HydrophobicContact CG1-CE1 4.39Å; V2361-F2645 HydrophobicContact CG2-CD1 3.98Å; F2476-F2645 HydrophobicContact CD1-CD2 4.22Å; F2476-F2645 HydrophobicContact CD2-CD2 4.1Å; F2476-F2645 AromaticContact CE1-CD2 3.87Å; F2476-F2645 HydrophobicContact CE1-CD2 3.87Å; F2476-F2645 HydrophobicContact CE2-CB 4Å; F2476-F2645 AromaticContact CE2-CD2 3.76Å; F2476-F2645 HydrophobicContact CE2-CD2 3.76Å; F2476-F2645 HydrophobicContact CE2-CG 4.37Å; F2476-F2645 HydrophobicContact CG-CD2 4.33Å; F2476-F2645 HydrophobicContact CZ-CB 3.77Å; F2476-F2645 AromaticContact CZ-CD2 3.64Å; F2476-F2645 HydrophobicContact CZ-CD2 3.64Å; F2476-F2645 HydrophobicContact CZ-CG 4.12Å; L2641-F2645 WeakPolarHBondContact O-CB 3.13Å; L2641-F2645 PolarHBondContact O-N 3.15Å; E2643-F2645 PolarHBondContact O-N 3.39Å; F2645-F2648 HydrophobicContact CD2-CD1 4.21Å; F2645-F2648 HydrophobicContact CE2-CD1 4.21Å; F2645-F2648 PolarHBondContact O-N 2.84Å; F2645-M2649 HydrophobicContact CD1-CG 4.24Å; F2645-M2649 HydrophobicContact CE1-CG 3.93Å; F2645-M2649 HydrophobicContact CE1-SD 4.33Å; F2645-M2649 HydrophobicContact CE2-CG 4.21Å; F2645-M2649 HydrophobicContact CE2-SD 4.09Å; F2645-M2649 HydrophobicContact CZ-CG 3.91Å; F2645-M2649 HydrophobicContact CZ-SD 3.77Å; F2645-M2649 WeakPolarHBondContact O-CG 3.46Å; F2645-M2649 PolarHBondContact O-N 3.5Å |
| 2646 | N | 82.6 | Confident | 76.6 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 171.8 | -167.3 | -32.6 | 0 | 0 | 0 | 111.5 | V2361 F2642 E2643 L2644 K2650 | V2361-N2646 HydrophobicContact CG1-CB 4.18Å; F2642-N2646 VanDerWaalsContact O-CB 3.26Å; F2642-N2646 WeakPolarHBondContact O-CB 3.17Å; F2642-N2646 PolarHBondContact O-N 3.11Å; E2643-N2646 PolarHBondContact O-N 2.77Å; L2644-N2646 VanDerWaalsContact C-N 3.34Å; N2646-K2650 WeakPolarHBondContact O-CG 2.98Å; N2646-K2650 PolarHBondContact O-N 2.91Å; N2646-K2650 WeakPolarHBondContact OD1-CE 3.28Å; N2646-K2650 PolarHBondContact OD1-NZ 3.14Å |
| 2647 | R | 82.6 | Confident | 74 | Confident | 112 Ų | 112 | 58 Ų | 58 | 42% | 0.423 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 172.1 | -166.7 | -178.2 | 77.8 | 156 | 2.1 | 111.9 | E1636 E2643 L2644 K2650 T2651 | E1636-R2647 IonicContact OE1-CZ 2.77Å; E1636-R2647 VanDerWaalsContact OE1-CZ 3.23Å; E1636-R2647 IonicContact OE1-NH1 2.65Å; E1636-R2647 PolarHBondContact OE1-NH1 3.37Å; E1636-R2647 IonicContact OE1-NH2 3.85Å; E1636-R2647 PolarHBondContact OE1-NH2 3.14Å; E1636-R2647 IonicContact OE2-CZ 2.75Å; E1636-R2647 IonicContact OE2-NH1 3.89Å; E1636-R2647 IonicContact OE2-NH2 3.81Å; E2643-R2647 PolarHBondContact O-N 2.9Å; L2644-R2647 WeakPolarHBondContact O-CB 3.08Å; L2644-R2647 PolarHBondContact O-N 3.45Å; R2647-K2650 PolarHBondContact O-N 2.64Å; R2647-T2651 PolarHBondContact O-N 3.09Å; R2647-T2651 PolarHBondContact O-OG1 3.17Å |
| 2648 | F | 82 | Confident | 71.4 | Confident | 35 Ų | 35 | 57 Ų | 57 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 177.5 | -179.8 | -104.7 | 0 | 0 | 0 | 111.9 | C2472 F2475 F2476 L2644 F2645 K2650 T2651 L2652 | C2472-F2648 WeakPolarHBondContact O-CZ 3.36Å; F2475-F2648 HydrophobicContact CB-CE2 4.46Å; F2476-F2648 HydrophobicContact CB-CD1 4.16Å; F2476-F2648 HydrophobicContact CB-CD2 4.44Å; F2476-F2648 HydrophobicContact CB-CE1 3.82Å; F2476-F2648 HydrophobicContact CB-CE2 4.13Å; F2476-F2648 HydrophobicContact CB-CG 4.46Å; F2476-F2648 HydrophobicContact CB-CZ 3.81Å; F2476-F2648 HydrophobicContact CD2-CB 3.94Å; F2476-F2648 AromaticContact CD2-CD1 3.87Å; F2476-F2648 HydrophobicContact CD2-CD1 3.87Å; F2476-F2648 HydrophobicContact CD2-CD2 4.13Å; F2476-F2648 HydrophobicContact CD2-CE1 4.41Å; F2476-F2648 AromaticContact CD2-CG 3.71Å; F2476-F2648 HydrophobicContact CD2-CG 3.71Å; F2476-F2648 HydrophobicContact CE2-CB 4.23Å; F2476-F2648 HydrophobicContact CE2-CG 4.46Å; F2476-F2648 HydrophobicContact CG-CD1 4.23Å; F2476-F2648 HydrophobicContact CG-CE1 4.37Å; F2476-F2648 HydrophobicContact CG-CG 4.44Å; L2644-F2648 WeakPolarHBondContact O-CB 3.44Å; L2644-F2648 PolarHBondContact O-N 3.31Å; F2645-F2648 HydrophobicContact CD2-CD1 4.21Å; F2645-F2648 HydrophobicContact CE2-CD1 4.21Å; F2645-F2648 PolarHBondContact O-N 2.84Å; F2648-K2650 VanDerWaalsContact C-N 3.32Å; F2648-K2650 PolarHBondContact O-N 2.58Å; F2648-T2651 WeakPolarHBondContact O-CA 3.19Å; F2648-T2651 WeakPolarHBondContact O-CB 3.37Å; F2648-T2651 PolarHBondContact O-N 2.79Å; F2648-L2652 HydrophobicContact CD1-CD1 4.03Å; F2648-L2652 HydrophobicContact CE1-CD1 3.48Å; F2648-L2652 VanDerWaalsContact CE1-CD1 3.48Å; F2648-L2652 HydrophobicContact CE1-CG 4.16Å; F2648-L2652 HydrophobicContact CZ-CD1 3.87Å; F2648-L2652 HydrophobicContact CZ-CD2 4.38Å; F2648-L2652 HydrophobicContact CZ-CG 4.2Å; F2648-L2652 PolarHBondContact O-N 3.02Å |
| 2649 | M | 72.8 | Confident | 68.7 | Low | 19 Ų | 19 | 59.1 Ų | 59.1 | 9% | 0.094 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 176.3 | -68.7 | -58.8 | -64.4 | 0 | 0 | 112.5 | I2461 F2645 T2651 L2652 S2653 | I2461-M2649 HydrophobicContact CD1-CE 4.07Å; F2645-M2649 HydrophobicContact CD1-CG 4.24Å; F2645-M2649 HydrophobicContact CE1-CG 3.93Å; F2645-M2649 HydrophobicContact CE1-SD 4.33Å; F2645-M2649 HydrophobicContact CE2-CG 4.21Å; F2645-M2649 HydrophobicContact CE2-SD 4.09Å; F2645-M2649 HydrophobicContact CZ-CG 3.91Å; F2645-M2649 HydrophobicContact CZ-SD 3.77Å; F2645-M2649 WeakPolarHBondContact O-CG 3.46Å; F2645-M2649 PolarHBondContact O-N 3.5Å; M2649-T2651 VanDerWaalsContact C-N 3.34Å; M2649-L2652 PolarHBondContact O-N 3.33Å; M2649-L2652 HydrophobicContact SD-CD1 4.29Å; M2649-S2653 WeakPolarHBondContact O-CB 3.29Å; M2649-S2653 PolarHBondContact O-N 2.96Å; M2649-S2653 PolarHBondContact O-OG 3.14Å |
| 2650 | K | 74 | Confident | 67.8 | Low | 112 Ų | 112 | 56.4 Ų | 56.4 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 171.3 | -74.4 | 171.6 | 176.4 | 167.2 | 0 | 113.1 | F2365 N2646 R2647 F2648 S2653 T2654 | F2365-K2650 HydrophobicContact CE2-CG 3.76Å; F2365-K2650 HydrophobicContact CZ-CG 3.95Å; N2646-K2650 WeakPolarHBondContact O-CG 2.98Å; N2646-K2650 PolarHBondContact O-N 2.91Å; N2646-K2650 WeakPolarHBondContact OD1-CE 3.28Å; N2646-K2650 PolarHBondContact OD1-NZ 3.14Å; R2647-K2650 PolarHBondContact O-N 2.64Å; F2648-K2650 VanDerWaalsContact C-N 3.32Å; F2648-K2650 PolarHBondContact O-N 2.58Å; K2650-S2653 WeakPolarHBondContact CA-OG 3.11Å; K2650-S2653 PolarHBondContact O-N 3.28Å; K2650-S2653 PolarHBondContact O-OG 3.18Å; K2650-T2654 PolarHBondContact O-N 3.17Å; K2650-T2654 PolarHBondContact O-OG1 2.92Å |
| 2651 | T | 72.6 | Confident | 66.6 | Low | 45 Ų | 45 | 58.3 Ų | 58.3 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 178.1 | -49.4 | 0 | 0 | 0 | 0 | 110.2 | I2141 R2647 F2648 M2649 T2654 T2655 | I2141-T2651 HydrophobicContact CD1-CG2 3.81Å; R2647-T2651 PolarHBondContact O-N 3.09Å; R2647-T2651 PolarHBondContact O-OG1 3.17Å; F2648-T2651 WeakPolarHBondContact O-CA 3.19Å; F2648-T2651 WeakPolarHBondContact O-CB 3.37Å; F2648-T2651 PolarHBondContact O-N 2.79Å; M2649-T2651 VanDerWaalsContact C-N 3.34Å; T2651-T2654 PolarHBondContact O-N 3.22Å; T2651-T2654 PolarHBondContact O-OG1 2.65Å; T2651-T2654 VanDerWaalsContact O-OG1 3.09Å; T2651-T2655 WeakPolarHBondContact O-CB 3.05Å; T2651-T2655 PolarHBondContact O-N 2.97Å; T2651-T2655 PolarHBondContact O-OG1 3.26Å |
| 2652 | L | 63.8 | Low | 65.3 | Low | 64 Ų | 64 | 61.5 Ų | 61.5 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 171.5 | -69.8 | 178.1 | 0 | 0 | 0 | 111.8 | F2648 M2649 T2654 T2655 S2656 | F2648-L2652 HydrophobicContact CD1-CD1 4.03Å; F2648-L2652 HydrophobicContact CE1-CD1 3.48Å; F2648-L2652 VanDerWaalsContact CE1-CD1 3.48Å; F2648-L2652 HydrophobicContact CE1-CG 4.16Å; F2648-L2652 HydrophobicContact CZ-CD1 3.87Å; F2648-L2652 HydrophobicContact CZ-CD2 4.38Å; F2648-L2652 HydrophobicContact CZ-CG 4.2Å; F2648-L2652 PolarHBondContact O-N 3.02Å; M2649-L2652 PolarHBondContact O-N 3.33Å; M2649-L2652 HydrophobicContact SD-CD1 4.29Å; L2652-T2654 VanDerWaalsContact C-N 3.25Å; L2652-T2654 PolarHBondContact O-N 2.9Å; L2652-T2655 PolarHBondContact O-N 3.15Å; L2652-S2656 WeakPolarHBondContact O-CB 3.39Å; L2652-S2656 PolarHBondContact O-N 3.43Å; L2652-S2656 PolarHBondContact O-OG 2.79Å |
| 2653 | S | 58.2 | Low | 64 | Low | 13 Ų | 13 | 62.4 Ų | 62.4 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.1 | -18.3 | -178.9 | 74 | 0 | 0 | 0 | 0 | 114.5 | M2649 K2650 S2656 Q2657 | M2649-S2653 WeakPolarHBondContact O-CB 3.29Å; M2649-S2653 PolarHBondContact O-N 2.96Å; M2649-S2653 PolarHBondContact O-OG 3.14Å; K2650-S2653 WeakPolarHBondContact CA-OG 3.11Å; K2650-S2653 PolarHBondContact O-N 3.28Å; K2650-S2653 PolarHBondContact O-OG 3.18Å; S2653-S2656 WeakPolarHBondContact CA-OG 3.31Å; S2653-Q2657 WeakPolarHBondContact O-CG 3.26Å |
| 2654 | T | 57.3 | Low | 62.7 | Low | 79 Ų | 79 | 57.5 Ų | 57.5 | 49% | 0.485 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -94.1 | -33.5 | 173.4 | 43.5 | 0 | 0 | 0 | 0 | 112 | K2650 T2651 L2652 S2656 Q2657 S2658 | K2650-T2654 PolarHBondContact O-N 3.17Å; K2650-T2654 PolarHBondContact O-OG1 2.92Å; T2651-T2654 PolarHBondContact O-N 3.22Å; T2651-T2654 PolarHBondContact O-OG1 2.65Å; T2651-T2654 VanDerWaalsContact O-OG1 3.09Å; L2652-T2654 VanDerWaalsContact C-N 3.25Å; L2652-T2654 PolarHBondContact O-N 2.9Å; T2654-S2656 VanDerWaalsContact C-N 3.34Å; T2654-Q2657 PolarHBondContact O-N 3Å; T2654-Q2657 VanDerWaalsContact O-N 3.14Å; T2654-S2658 PolarHBondContact O-N 2.86Å |
| 2655 | T | 52.5 | Low | 61.2 | Low | 58 Ų | 58 | 61.1 Ų | 61.1 | 36% | 0.356 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 172.8 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | T2651 L2652 Q2657 S2658 I2659 | T2651-T2655 WeakPolarHBondContact O-CB 3.05Å; T2651-T2655 PolarHBondContact O-N 2.97Å; T2651-T2655 PolarHBondContact O-OG1 3.26Å; L2652-T2655 PolarHBondContact O-N 3.15Å; T2655-Q2657 PolarHBondContact O-N 3.17Å; T2655-Q2657 VanDerWaalsContact O-N 3.12Å; T2655-S2658 PolarHBondContact O-N 3.44Å; T2655-S2658 PolarHBondContact O-OG 2.72Å; T2655-I2659 HydrophobicContact CG2-CD1 4.41Å; T2655-I2659 PolarHBondContact O-N 2.75Å |
| 2656 | S | 44.7 | Very low | 59.4 | Low | 46 Ų | 46 | 64.9 Ų | 64.9 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 19.4 | 172.2 | 55.4 | 0 | 0 | 0 | 0 | 115.2 | L2652 S2653 T2654 I2659 | L2652-S2656 WeakPolarHBondContact O-CB 3.39Å; L2652-S2656 PolarHBondContact O-N 3.43Å; L2652-S2656 PolarHBondContact O-OG 2.79Å; S2653-S2656 WeakPolarHBondContact CA-OG 3.31Å; T2654-S2656 VanDerWaalsContact C-N 3.34Å; S2656-I2659 VanDerWaalsContact C-OXT 3.29Å |
| 2657 | Q | 31.7 | Very low | 57.7 | Low | 115 Ų | 115 | 68.1 Ų | 68.1 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -1.6 | 161.8 | -69.1 | -179.2 | -36.1 | 0 | 0 | 112.4 | S2653 T2654 T2655 I2659 | S2653-Q2657 WeakPolarHBondContact O-CG 3.26Å; T2654-Q2657 PolarHBondContact O-N 3Å; T2654-Q2657 VanDerWaalsContact O-N 3.14Å; T2655-Q2657 PolarHBondContact O-N 3.17Å; T2655-Q2657 VanDerWaalsContact O-N 3.12Å; Q2657-I2659 WeakPolarHBondContact CA-OXT 3.12Å; Q2657-I2659 PolarHBondContact N-OXT 3.09Å |
| 2658 | S | 29.8 | Very low | 55.6 | Low | 84 Ų | 84 | 64.4 Ų | 64.4 | 59% | 0.587 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -27.9 | 171.2 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | S2183 T2654 T2655 | S2183-S2658 WeakPolarHBondContact CB-O 3.47Å; T2654-S2658 PolarHBondContact O-N 2.86Å; T2655-S2658 PolarHBondContact O-N 3.44Å; T2655-S2658 PolarHBondContact O-OG 2.72Å |
| 2659 | I | 27.8 | Very low | 53.2 | Low | 103 Ų | 103 | 67.1 Ų | 67.1 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | trans | -78.3 | 0 | 146.7 | -67.7 | 172.9 | 0 | 0 | 0 | 108.1 | S2183 L2184 T2655 S2656 Q2657 | S2183-I2659 WeakPolarHBondContact CB-O 3.49Å; S2183-I2659 PolarHBondContact OG-O 3.35Å; S2183-I2659 PolarHBondContact OG-OXT 3.04Å; L2184-I2659 HydrophobicContact CB-CB 4.49Å; L2184-I2659 HydrophobicContact CB-CG2 3.91Å; L2184-I2659 VanDerWaalsContact CB-O 3.29Å; L2184-I2659 WeakPolarHBondContact CB-O 3.18Å; L2184-I2659 HydrophobicContact CD2-CB 4.43Å; L2184-I2659 HydrophobicContact CD2-CG1 4.21Å; L2184-I2659 HydrophobicContact CD2-CG2 3.77Å; L2184-I2659 HydrophobicContact CG-CG2 4.42Å; L2184-I2659 PolarHBondContact N-O 3.13Å; T2655-I2659 HydrophobicContact CG2-CD1 4.41Å; T2655-I2659 PolarHBondContact O-N 2.75Å; S2656-I2659 VanDerWaalsContact C-OXT 3.29Å; Q2657-I2659 WeakPolarHBondContact CA-OXT 3.12Å; Q2657-I2659 PolarHBondContact N-OXT 3.09Å |
Retrieved 2,659 of 2,659 residues in 1781.1 ms
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