| 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 | 29.5 | Very low | 39.8 | Very low | 216 Ų | 216 | 175.7 Ų | 175.7 | 100% | 1.064 | 80% | 0.803 | S | S | * | * | 0 | 128.1 | 0 | -75.7 | -171.8 | -170.3 | 0 | 0 | 109.5 | |||||
| 2 | P | 29.9 | Very low | 42.8 | Very low | 124 Ų | 124 | 176.7 Ų | 176.7 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -100.5 | 86.3 | -178.5 | 36 | -24.5 | 0 | 0 | 0 | 109.9 | ||||
| 3 | F | 29.1 | Very low | 45.9 | Very low | 188 Ų | 188 | 172.7 Ų | 172.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -134.3 | 139.3 | 162.5 | -96.5 | -93.3 | 0 | 0 | 0 | 106.2 | ||||
| 4 | W | 30.7 | Very low | 49 | Very low | 230 Ų | 230 | 160.4 Ų | 160.4 | 87% | 0.871 | 73% | 0.731 | S | S | * | * | trans | 90.9 | 46.9 | -167.1 | -50.1 | 101 | 0 | 0 | 0 | 116.8 | R6 | W4-R6 PolarHBondContact O-N 3Š| ||
| 5 | R | 30.6 | Very low | 51.7 | Low | 249 Ų | 249 | 152.7 Ų | 152.7 | 94% | 0.94 | 70% | 0.696 | S | S | * | * | trans | -80.8 | 92.9 | 144.3 | -83.8 | -173.4 | -178.2 | -175.9 | 1.2 | 107.4 | N7 | R5-N7 PolarHBondContact O-N 3.37Š| ||
| 6 | R | 34.7 | Very low | 54.2 | Low | 211 Ų | 211 | 143.1 Ų | 143.1 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | trans | -59.8 | 128.1 | 160.8 | -93.6 | 178.9 | 172.4 | 169.7 | -3.4 | 106.9 | W4 T8 | W4-R6 PolarHBondContact O-N 3Å; R6-T8 PolarHBondContact O-N 3.19Å | ||
| 7 | N | 32.6 | Very low | 56.3 | Low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 63% | 0.632 | S | S | * | * | trans | -54.2 | 101.8 | 166.6 | -83.6 | -14.6 | 0 | 0 | 0 | 108.3 | R5 Y9 | R5-N7 PolarHBondContact O-N 3.37Å; N7-Y9 PolarHBondContact O-N 3.26Å; N7-Y9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | T | 43.2 | Very low | 58 | Low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 60% | 0.6 | S | S | * | * | trans | -73.8 | 101 | 168.6 | 37.8 | 0 | 0 | 0 | 0 | 107.2 | R6 I10 | R6-T8 PolarHBondContact O-N 3.19Å; T8-I10 PolarHBondContact O-N 3.45Å | ||
| 9 | Y | 50.5 | Low | 59.2 | Low | 222 Ų | 222 | 127.3 Ų | 127.3 | 87% | 0.871 | 59% | 0.588 | S | S | * | * | trans | -51.8 | 124.6 | 160.2 | -81.8 | -95.3 | 0 | 0 | 0 | 107.6 | N7 E11 | N7-Y9 PolarHBondContact O-N 3.26Å; N7-Y9 VanDerWaalsContact O-N 3.16Å; Y9-E11 PolarHBondContact O-N 3.13Å | ||
| 10 | I | 58.2 | Low | 60.4 | Low | 158 Ų | 158 | 122.3 Ų | 122.3 | 81% | 0.81 | 57% | 0.569 | S | S | * | * | trans | -72.9 | 101.2 | 172.8 | -61.8 | 174.2 | 0 | 0 | 0 | 105.9 | T8 K12 | T8-I10 PolarHBondContact O-N 3.45Å; I10-K12 PolarHBondContact O-N 2.8Å | ||
| 11 | E | 68.6 | Low | 61.5 | Low | 53 Ų | 53 | 119.9 Ų | 119.9 | 25% | 0.248 | 56% | 0.555 | C | S | . | * | trans | -60.1 | 115.7 | 175.9 | -170.6 | 173.8 | -163.3 | 0 | 0 | 108.6 | Y9 R14 Y29 | Y9-E11 PolarHBondContact O-N 3.13Å; E11-R14 VanDerWaalsContact OE1-CB 3.29Å; E11-R14 WeakPolarHBondContact OE1-CB 3.35Å; E11-R14 VanDerWaalsContact OE1-CG 3.3Å; E11-R14 WeakPolarHBondContact OE1-CG 3.36Å; E11-R14 IonicContact OE2-NH1 3.63Å; E11-Y29 WeakPolarHBondContact OE1-CE1 3.27Å | ||
| 12 | K | 75.6 | Confident | 64.1 | Low | 187 Ų | 187 | 117.6 Ų | 117.6 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -83.8 | -39.6 | 177 | -72.8 | -172.8 | 177.4 | -177.1 | 0 | 111.8 | I10 P203 | I10-K12 PolarHBondContact O-N 2.8Å; K12-P203 WeakPolarHBondContact O-CD 3.32Å |
| 13 | E | 83.8 | Confident | 66.8 | Low | 125 Ų | 125 | 115 Ų | 115 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -145.5 | 146.1 | -179.6 | -65.9 | 178.4 | -178.5 | 0 | 0 | 108.4 | ||
| 14 | R | 88.8 | Confident | 69.5 | Low | 0 Ų | 0 | 106.3 Ų | 106.3 | 0% | 0 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.4 | -178.5 | -176.7 | 177.5 | -173.1 | 118.5 | -9.6 | 110.2 | E11 V16 Y29 V133 I200 C201 I247 F248 | E11-R14 VanDerWaalsContact OE1-CB 3.29Å; E11-R14 WeakPolarHBondContact OE1-CB 3.35Å; E11-R14 VanDerWaalsContact OE1-CG 3.3Å; E11-R14 WeakPolarHBondContact OE1-CG 3.36Å; E11-R14 IonicContact OE2-NH1 3.63Å; R14-V16 HydrophobicContact CG-CG2 3.98Å; R14-Y29 HydrophobicContact CG-CE1 3.92Å; R14-V133 VanDerWaalsContact NH2-CG2 3.32Å; R14-I200 WeakPolarHBondContact O-CA 3.33Å; R14-C201 PolarHBondContact N-O 3.2Å; R14-C201 PolarHBondContact O-N 2.86Å; R14-I247 VanDerWaalsContact CZ-O 3.23Å; R14-I247 PolarHBondContact NE-O 3.24Å; R14-I247 PolarHBondContact NH2-O 3.39Å; R14-F248 VanDerWaalsContact CD-CE1 3.4Å |
| 15 | H | 90.3 | Very high | 72 | Confident | 45 Ų | 45 | 100.3 Ų | 100.3 | 21% | 0.208 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 114.7 | -178.8 | -70.6 | -104.5 | 0 | 0 | 0 | 110.6 | F27 Y29 E198 | H15-F27 HydrophobicContact CB-CE2 4.35Å; H15-F27 HydrophobicContact CB-CZ 4.08Å; H15-Y29 PolarHBondContact N-OH 3.01Å; H15-Y29 PolarHBondContact O-OH 3.17Å; H15-E198 IonicContact CG-OE1 3.61Å; H15-E198 IonicContact ND1-OE1 3.61Å; H15-E198 PolarHBondContact ND1-OE1 3.18Å |
| 16 | V | 90.7 | Very high | 74.6 | Confident | 0 Ų | 0 | 96 Ų | 96 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.7 | -179.7 | -168.2 | 0 | 0 | 0 | 0 | 110.1 | R14 V133 V199 M245 I247 | R14-V16 HydrophobicContact CG-CG2 3.98Å; V16-V133 HydrophobicContact CB-CG1 4.36Å; V16-V133 HydrophobicContact CG1-CG1 3.61Å; V16-V133 HydrophobicContact CG2-CG1 3.76Å; V16-V199 PolarHBondContact N-O 3.3Å; V16-V199 PolarHBondContact O-N 2.85Å; V16-M245 HydrophobicContact CB-CE 3.94Å; V16-M245 HydrophobicContact CG1-CE 3.42Å; V16-M245 VanDerWaalsContact CG1-CE 3.42Å; V16-M245 WeakPolarHBondContact O-CE 3.41Å; V16-I247 HydrophobicContact CB-CD1 4.48Å |
| 17 | K | 90.5 | Very high | 76.9 | Confident | 71 Ų | 71 | 90.2 Ų | 90.2 | 31% | 0.309 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.5 | 174.9 | -168.6 | 166.8 | -174.6 | 167.3 | 0 | 111.5 | A20 Y23 N24 | K17-A20 HydrophobicContact CB-CB 4.08Å; K17-A20 HydrophobicContact CD-CB 4.17Å; K17-A20 HydrophobicContact CG-CB 3.94Å; K17-Y23 HydrophobicContact CB-CD1 3.64Å; K17-Y23 HydrophobicContact CB-CE1 3.97Å; K17-Y23 HydrophobicContact CB-CG 4.38Å; K17-N24 PolarHBondContact N-OD1 3.42Å; K17-N24 PolarHBondContact O-ND2 3.43Å |
| 18 | A | 87.1 | Confident | 79.3 | Confident | 5 Ų | 5 | 88 Ų | 88 | 4% | 0.041 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 135.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A20 F195 G197 M245 | A18-A20 PolarHBondContact O-N 3.02Å; A18-F195 HydrophobicContact CB-CD1 3.51Å; A18-F195 HydrophobicContact CB-CE1 3.58Å; A18-G197 PolarHBondContact N-O 2.82Å; A18-M245 HydrophobicContact CB-CE 4.04Å; A18-M245 HydrophobicContact CB-SD 3.72Å |
| 19 | S | 79.7 | Confident | 81.4 | Confident | 53 Ų | 53 | 83.3 Ų | 83.3 | 37% | 0.371 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 14.4 | 174.1 | -59.5 | 0 | 0 | 0 | 0 | 115.6 | G134 I136 | S19-G134 PolarHBondContact N-O 3.25Å; S19-I136 WeakPolarHBondContact OG-CD1 3.38Å |
| 20 | A | 83.4 | Confident | 82.9 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 22% | 0.223 | 37% | 0.365 | C | S | . | . | trans | -113.8 | 70.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K17 A18 E22 Y23 N24 | K17-A20 HydrophobicContact CB-CB 4.08Å; K17-A20 HydrophobicContact CD-CB 4.17Å; K17-A20 HydrophobicContact CG-CB 3.94Å; A18-A20 PolarHBondContact O-N 3.02Å; A20-E22 VanDerWaalsContact C-N 3.34Å; A20-E22 PolarHBondContact O-N 3.22Å; A20-Y23 PolarHBondContact O-N 3.3Å; A20-Y23 VanDerWaalsContact O-N 3.14Å; A20-N24 PolarHBondContact O-N 3.04Å; A20-N24 VanDerWaalsContact O-N 3.13Å; A20-N24 PolarHBondContact O-ND2 3.13Å | ||
| 21 | R | 84.3 | Confident | 84.4 | Confident | 71 Ų | 71 | 72.2 Ų | 72.2 | 27% | 0.268 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.2 | -43.5 | -177.2 | -73.8 | -175 | 172.5 | -177.9 | -1.8 | 113.5 | Y23 N24 E25 D135 | R21-Y23 VanDerWaalsContact C-N 3.3Å; R21-Y23 PolarHBondContact O-N 3.04Å; R21-N24 PolarHBondContact O-N 3Å; R21-E25 WeakPolarHBondContact O-CB 3.39Å; R21-E25 WeakPolarHBondContact O-CG 3.4Å; R21-E25 PolarHBondContact O-N 2.93Å; R21-D135 IonicContact CZ-OD1 3.13Å; R21-D135 IonicContact CZ-OD2 2.8Å; R21-D135 IonicContact NE-OD1 2.7Å; R21-D135 PolarHBondContact NE-OD1 3.2Å; R21-D135 IonicContact NE-OD2 3.47Å; R21-D135 VanDerWaalsContact NH2-CG 3.35Å; R21-D135 IonicContact NH2-OD1 3.58Å; R21-D135 PolarHBondContact NH2-OD1 3.16Å; R21-D135 IonicContact NH2-OD2 3.54Å; R21-D135 PolarHBondContact NH2-OD2 3.08Å |
| 22 | E | 83.6 | Confident | 85.4 | Confident | 169 Ų | 169 | 69.7 Ų | 69.7 | 79% | 0.79 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.2 | -31.9 | -179.4 | -65.4 | 179.3 | -176.9 | 0 | 0 | 113.2 | A20 | A20-E22 VanDerWaalsContact C-N 3.34Å; A20-E22 PolarHBondContact O-N 3.22Å |
| 23 | Y | 86 | Confident | 86 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.5 | -48.5 | 175.4 | 177.6 | -90.5 | 0 | 0 | 0 | 110.4 | K17 A20 R21 E25 K26 F27 | K17-Y23 HydrophobicContact CB-CD1 3.64Å; K17-Y23 HydrophobicContact CB-CE1 3.97Å; K17-Y23 HydrophobicContact CB-CG 4.38Å; A20-Y23 PolarHBondContact O-N 3.3Å; A20-Y23 VanDerWaalsContact O-N 3.14Å; R21-Y23 VanDerWaalsContact C-N 3.3Å; R21-Y23 PolarHBondContact O-N 3.04Å; Y23-E25 VanDerWaalsContact C-N 3.3Å; Y23-E25 PolarHBondContact O-N 3.31Å; Y23-K26 WeakPolarHBondContact O-CB 3.16Å; Y23-K26 WeakPolarHBondContact O-CG 3.43Å; Y23-K26 PolarHBondContact O-N 3.35Å; Y23-F27 HydrophobicContact CD1-CE2 4.21Å; Y23-F27 AromaticContact CE1-CE2 3.63Å; Y23-F27 HydrophobicContact CE1-CE2 3.63Å; Y23-F27 HydrophobicContact CE1-CZ 4.36Å; Y23-F27 AromaticContact CZ-CE2 3.88Å |
| 24 | N | 86.4 | Confident | 86 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.032 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.7 | -29.2 | -177.7 | -62.9 | -27.1 | 0 | 0 | 0 | 112.6 | K17 A20 R21 K26 F27 Y29 V133 | K17-N24 PolarHBondContact N-OD1 3.42Å; K17-N24 PolarHBondContact O-ND2 3.43Å; A20-N24 PolarHBondContact O-N 3.04Å; A20-N24 VanDerWaalsContact O-N 3.13Å; A20-N24 PolarHBondContact O-ND2 3.13Å; R21-N24 PolarHBondContact O-N 3Å; N24-K26 PolarHBondContact O-N 3.02Å; N24-F27 PolarHBondContact O-N 3.2Å; N24-Y29 HydrophobicContact CB-CD2 4.28Å; N24-Y29 HydrophobicContact CB-CE2 4.3Å; N24-Y29 WeakPolarHBondContact O-CD2 3.33Å; N24-V133 PolarHBondContact ND2-O 3.14Å |
| 25 | E | 83.9 | Confident | 85.6 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -26.1 | 176 | -83.1 | -178.3 | 177 | 0 | 0 | 113.2 | R21 Y23 F27 S28 R132 | R21-E25 WeakPolarHBondContact O-CB 3.39Å; R21-E25 WeakPolarHBondContact O-CG 3.4Å; R21-E25 PolarHBondContact O-N 2.93Å; Y23-E25 VanDerWaalsContact C-N 3.3Å; Y23-E25 PolarHBondContact O-N 3.31Å; E25-F27 PolarHBondContact O-N 3.46Å; E25-S28 PolarHBondContact O-N 3.48Å; E25-R132 IonicContact OE1-CZ 3.67Å; E25-R132 IonicContact OE1-NH1 2.79Å; E25-R132 PolarHBondContact OE1-NH1 3.21Å |
| 26 | K | 85.2 | Confident | 84.8 | Confident | 159 Ų | 159 | 65.9 Ų | 65.9 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -29.5 | 177.6 | -63.3 | 177.9 | -177.2 | 178.7 | 0 | 112.7 | Y23 N24 | Y23-K26 WeakPolarHBondContact O-CB 3.16Å; Y23-K26 WeakPolarHBondContact O-CG 3.43Å; Y23-K26 PolarHBondContact O-N 3.35Å; N24-K26 PolarHBondContact O-N 3.02Å |
| 27 | F | 82.8 | Confident | 84.2 | Confident | 89 Ų | 89 | 66.3 Ų | 66.3 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -1.9 | -179.9 | -59.8 | -80.3 | 0 | 0 | 0 | 113.5 | H15 Y23 N24 E25 Y29 | H15-F27 HydrophobicContact CB-CE2 4.35Å; H15-F27 HydrophobicContact CB-CZ 4.08Å; Y23-F27 HydrophobicContact CD1-CE2 4.21Å; Y23-F27 AromaticContact CE1-CE2 3.63Å; Y23-F27 HydrophobicContact CE1-CE2 3.63Å; Y23-F27 HydrophobicContact CE1-CZ 4.36Å; Y23-F27 AromaticContact CZ-CE2 3.88Å; N24-F27 PolarHBondContact O-N 3.2Å; E25-F27 PolarHBondContact O-N 3.46Å; F27-Y29 VanDerWaalsContact C-N 3.32Å; F27-Y29 HydrophobicContact CB-CD1 4.17Å; F27-Y29 HydrophobicContact CB-CD2 4.16Å; F27-Y29 HydrophobicContact CB-CE1 3.62Å; F27-Y29 HydrophobicContact CB-CE2 3.63Å; F27-Y29 HydrophobicContact CB-CG 4.41Å; F27-Y29 WeakPolarHBondContact CB-OH 3.18Å; F27-Y29 HydrophobicContact CD2-CE2 4.03Å; F27-Y29 HydrophobicContact CG-CE1 4.42Å; F27-Y29 HydrophobicContact CG-CE2 4.13Å; F27-Y29 AromaticContact CG-CZ 3.76Å; F27-Y29 WeakPolarHBondContact CG-OH 3.49Å; F27-Y29 PolarHBondContact O-N 3.35Å |
| 28 | S | 83.6 | Confident | 83.2 | Confident | 108 Ų | 108 | 67.3 Ų | 67.3 | 76% | 0.755 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 44.6 | 178.2 | -63.6 | 0 | 0 | 0 | 0 | 114 | E25 | E25-S28 PolarHBondContact O-N 3.48Š|
| 29 | Y | 85.6 | Confident | 82.9 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 156.1 | 178 | -64.3 | -47.7 | 0 | 0 | 0 | 113.4 | E11 R14 H15 N24 F27 V133 | E11-Y29 WeakPolarHBondContact OE1-CE1 3.27Å; R14-Y29 HydrophobicContact CG-CE1 3.92Å; H15-Y29 PolarHBondContact N-OH 3.01Å; H15-Y29 PolarHBondContact O-OH 3.17Å; N24-Y29 HydrophobicContact CB-CD2 4.28Å; N24-Y29 HydrophobicContact CB-CE2 4.3Å; N24-Y29 WeakPolarHBondContact O-CD2 3.33Å; F27-Y29 VanDerWaalsContact C-N 3.32Å; F27-Y29 HydrophobicContact CB-CD1 4.17Å; F27-Y29 HydrophobicContact CB-CD2 4.16Å; F27-Y29 HydrophobicContact CB-CE1 3.62Å; F27-Y29 HydrophobicContact CB-CE2 3.63Å; F27-Y29 HydrophobicContact CB-CG 4.41Å; F27-Y29 WeakPolarHBondContact CB-OH 3.18Å; F27-Y29 HydrophobicContact CD2-CE2 4.03Å; F27-Y29 HydrophobicContact CG-CE1 4.42Å; F27-Y29 HydrophobicContact CG-CE2 4.13Å; F27-Y29 AromaticContact CG-CZ 3.76Å; F27-Y29 WeakPolarHBondContact CG-OH 3.49Å; F27-Y29 PolarHBondContact O-N 3.35Å; Y29-V133 HydrophobicContact CD2-CB 3.94Å; Y29-V133 HydrophobicContact CD2-CG1 3.68Å; Y29-V133 HydrophobicContact CD2-CG2 4.46Å; Y29-V133 HydrophobicContact CE2-CG1 4.08Å; Y29-V133 HydrophobicContact CG-CB 4.33Å; Y29-V133 HydrophobicContact CG-CG1 4.24Å; Y29-V133 HydrophobicContact CG-CG2 4.35Å |
| 30 | A | 83.9 | Confident | 83.1 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 138 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q252 | A30-Q252 HydrophobicContact CB-CG 3.87Š|
| 31 | N | 88.6 | Confident | 83.2 | Confident | 115 Ų | 115 | 73.5 Ų | 73.5 | 62% | 0.615 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 154.8 | 171.9 | -65.8 | -17.9 | 0 | 0 | 0 | 110.8 | H33 G250 | N31-H33 PolarHBondContact O-N 3.38Å; N31-G250 WeakPolarHBondContact O-CA 3.49Å |
| 32 | N | 90.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -77.9 | 5.8 | 178.8 | -157.9 | 35.1 | 0 | 0 | 0 | 114.8 | I34 W128 V131 A146 R232 A249 G250 | N32-I34 PolarHBondContact O-N 3.27Å; N32-W128 WeakPolarHBondContact CB-O 3.46Å; N32-W128 PolarHBondContact ND2-O 2.78Å; N32-V131 HydrophobicContact CB-CB 4.44Å; N32-V131 VanDerWaalsContact CB-O 3.27Å; N32-V131 WeakPolarHBondContact CB-O 3.49Å; N32-A146 PolarHBondContact ND2-O 3.17Å; N32-R232 PolarHBondContact OD1-NH1 3.09Å; N32-A249 HydrophobicContact CB-CB 4.09Å; N32-G250 PolarHBondContact OD1-N 2.97Å |
| 33 | H | 88.2 | Confident | 83.5 | Confident | 82 Ų | 82 | 72.9 Ų | 72.9 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | trans | -74.3 | 121.2 | 177.3 | 178.1 | -84.7 | 0 | 0 | 0 | 111.2 | N31 N111 M129 | N31-H33 PolarHBondContact O-N 3.38Å; H33-N111 PolarHBondContact NE2-ND2 3.28Å; H33-M129 HydrophobicContact CB-CB 4.25Å | ||
| 34 | I | 83.3 | Confident | 83.6 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 6% | 0.062 | 37% | 0.366 | C | S | . | . | trans | -93.3 | 131.1 | 174 | -63.3 | -171.4 | 0 | 0 | 0 | 109.5 | N32 T36 V110 N111 M256 | N32-I34 PolarHBondContact O-N 3.27Å; I34-T36 HydrophobicContact CG2-CG2 4.1Å; I34-V110 HydrophobicContact CD1-CG1 4.49Å; I34-N111 PolarHBondContact N-OD1 3.02Å; I34-N111 PolarHBondContact O-ND2 3.34Å; I34-M256 HydrophobicContact CD1-CE 4.18Å; I34-M256 HydrophobicContact CD1-CG 4.31Å; I34-M256 HydrophobicContact CD1-SD 3.86Å; I34-M256 HydrophobicContact CG2-CE 4.32Å | ||
| 35 | K | 81.2 | Confident | 83.7 | Confident | 113 Ų | 113 | 76.6 Ų | 76.6 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | trans | -129.9 | 110.9 | 172.3 | -172.1 | -179.7 | 176 | -177.8 | 0 | 109.6 | S37 | K35-S37 WeakPolarHBondContact CE-O 3.46Å; K35-S37 WeakPolarHBondContact CE-OG 3.44Å | ||
| 36 | T | 73 | Confident | 84 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | trans | -102.3 | -17.3 | 171.5 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | I34 D107 | I34-T36 HydrophobicContact CG2-CG2 4.1Å; T36-D107 WeakPolarHBondContact CB-OD1 3.42Å; T36-D107 WeakPolarHBondContact CG2-OD1 3.47Å; T36-D107 PolarHBondContact N-OD1 2.87Å; T36-D107 PolarHBondContact N-OD2 2.75Å; T36-D107 PolarHBondContact OG1-OD1 2.92Å; T36-D107 PolarHBondContact OG1-OD2 3.18Å | ||
| 37 | S | 77.1 | Confident | 84 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | trans | -61.7 | 141 | 175.7 | 90.7 | 0 | 0 | 0 | 0 | 112.6 | K35 Y39 H104 D107 | K35-S37 WeakPolarHBondContact CE-O 3.46Å; K35-S37 WeakPolarHBondContact CE-OG 3.44Å; S37-Y39 PolarHBondContact OG-O 3.07Å; S37-H104 WeakPolarHBondContact CB-CE1 3.38Å; S37-H104 VanDerWaalsContact CB-NE2 3.33Å; S37-H104 WeakPolarHBondContact CB-NE2 3.49Å; S37-H104 PolarHBondContact OG-CE1 2.77Å; S37-H104 PolarHBondContact OG-NE2 2.78Å; S37-D107 PolarHBondContact N-OD2 3.48Å; S37-D107 VanDerWaalsContact N-OD2 3.16Å | ||
| 38 | K | 70.8 | Confident | 84.1 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | trans | -84.7 | -42 | 177.5 | -71.4 | -176.7 | 177.7 | -176.1 | 0 | 111.2 | D100 | K38-D100 PolarHBondContact N-OD1 3.22Š| ||
| 39 | Y | 79.6 | Confident | 84.2 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | trans | -105.8 | 157.2 | -171.2 | -47.7 | -67 | 0 | 0 | 0 | 111.6 | S37 F44 I47 E51 D96 D100 H104 | S37-Y39 PolarHBondContact OG-O 3.07Å; Y39-F44 HydrophobicContact CD1-CD2 4.49Å; Y39-F44 AromaticContact CD2-CD2 3.74Å; Y39-F44 HydrophobicContact CD2-CD2 3.74Å; Y39-F44 HydrophobicContact CD2-CE2 4.12Å; Y39-F44 HydrophobicContact CE2-CD2 4.39Å; Y39-F44 HydrophobicContact CE2-CE2 4.4Å; Y39-F44 AromaticContact CG-CD2 3.79Å; Y39-F44 HydrophobicContact CG-CD2 3.79Å; Y39-I47 HydrophobicContact CD1-CB 4.23Å; Y39-I47 HydrophobicContact CD1-CG2 4.2Å; Y39-I47 HydrophobicContact CE1-CB 4.22Å; Y39-I47 HydrophobicContact CE1-CG2 3.83Å; Y39-E51 PolarHBondContact OH-OE2 3.39Å; Y39-E51 VanDerWaalsContact OH-OE2 3.09Å; Y39-D96 HydrophobicContact CE2-CB 4.45Å; Y39-D100 WeakPolarHBondContact CB-OD2 3.47Å; Y39-D100 HydrophobicContact CD2-CB 3.85Å; Y39-D100 PolarHBondContact N-OD2 3.01Å; Y39-D100 VanDerWaalsContact N-OD2 3.12Å; Y39-H104 PolarHBondContact O-CE1 2.85Å; Y39-H104 PolarHBondContact O-NE2 2.97Å | ||
| 40 | N | 84.7 | Confident | 84.2 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 43% | 0.428 | 35% | 0.354 | S | S | . | . | trans | -115.9 | 161.3 | 163.4 | -165.4 | 4.3 | 0 | 0 | 0 | 107.2 | F42 T43 F44 | N40-F42 PolarHBondContact O-N 3.26Å; N40-F42 VanDerWaalsContact O-N 3.11Å; N40-T43 HydrophobicContact CB-CG2 4.41Å; N40-T43 WeakPolarHBondContact CB-OG1 3.48Å; N40-T43 PolarHBondContact N-OG1 3.48Å; N40-T43 CarbonylContact O-C 3.47Å; N40-T43 PolarHBondContact O-N 3Å; N40-T43 PolarHBondContact O-OG1 3.13Å; N40-F44 WeakPolarHBondContact O-CB 3.28Å; N40-F44 PolarHBondContact O-N 2.98Å | ||
| 41 | V | 84.4 | Confident | 83.9 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 76% | 0.758 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -52.5 | -42.1 | -175.6 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 42 | F | 87.1 | Confident | 83.6 | Confident | 177 Ų | 177 | 65 Ų | 65 | 78% | 0.776 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -79.5 | -28.6 | 178.2 | -59.9 | -72.9 | 0 | 0 | 0 | 114.4 | N40 P46 | N40-F42 PolarHBondContact O-N 3.26Å; N40-F42 VanDerWaalsContact O-N 3.11Å; F42-P46 WeakPolarHBondContact O-CD 3.41Å |
| 43 | T | 87.9 | Confident | 83.2 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -91.9 | -10.6 | -177.9 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | N40 P46 I47 | N40-T43 HydrophobicContact CB-CG2 4.41Å; N40-T43 WeakPolarHBondContact CB-OG1 3.48Å; N40-T43 PolarHBondContact N-OG1 3.48Å; N40-T43 CarbonylContact O-C 3.47Å; N40-T43 PolarHBondContact O-N 3Å; N40-T43 PolarHBondContact O-OG1 3.13Å; T43-P46 WeakPolarHBondContact O-CD 3.45Å; T43-I47 HydrophobicContact CG2-CD1 4.48Å; T43-I47 VanDerWaalsContact O-CB 3.24Å; T43-I47 WeakPolarHBondContact O-CB 3.19Å; T43-I47 VanDerWaalsContact O-CG1 3.25Å; T43-I47 WeakPolarHBondContact O-CG1 3.39Å; T43-I47 PolarHBondContact O-N 2.76Å; T43-I47 VanDerWaalsContact O-N 3.09Å |
| 44 | F | 88.6 | Confident | 82.7 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 19% | 0.189 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.4 | -61.6 | -179.3 | 174.7 | -101.5 | 0 | 0 | 0 | 110.9 | Y39 N40 N48 A93 D96 A97 | Y39-F44 HydrophobicContact CD1-CD2 4.49Å; Y39-F44 AromaticContact CD2-CD2 3.74Å; Y39-F44 HydrophobicContact CD2-CD2 3.74Å; Y39-F44 HydrophobicContact CD2-CE2 4.12Å; Y39-F44 HydrophobicContact CE2-CD2 4.39Å; Y39-F44 HydrophobicContact CE2-CE2 4.4Å; Y39-F44 AromaticContact CG-CD2 3.79Å; Y39-F44 HydrophobicContact CG-CD2 3.79Å; N40-F44 WeakPolarHBondContact O-CB 3.28Å; N40-F44 PolarHBondContact O-N 2.98Å; F44-N48 HydrophobicContact CE2-CB 4.41Å; F44-N48 WeakPolarHBondContact CZ-ND2 3.42Å; F44-N48 WeakPolarHBondContact O-CA 3.37Å; F44-N48 WeakPolarHBondContact O-CB 3.48Å; F44-N48 PolarHBondContact O-N 2.85Å; F44-A93 HydrophobicContact CE1-CB 4.48Å; F44-A93 HydrophobicContact CZ-CB 4.28Å; F44-A93 WeakPolarHBondContact CZ-O 3.4Å; F44-D96 HydrophobicContact CE2-CB 4.41Å; F44-A97 HydrophobicContact CE1-CB 4.3Å; F44-A97 HydrophobicContact CE2-CB 3.87Å; F44-A97 HydrophobicContact CZ-CB 3.6Å |
| 45 | L | 88.1 | Confident | 82.3 | Confident | 108 Ų | 108 | 75 Ų | 75 | 57% | 0.565 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.3 | -52.3 | -176.9 | -171.4 | 69.9 | 0 | 0 | 0 | 113.5 | L49 | L45-L49 HydrophobicContact CD1-CD1 3.88Å; L45-L49 HydrophobicContact CD1-CG 4.23Å; L45-L49 HydrophobicContact CG-CD1 3.89Å; L45-L49 VanDerWaalsContact O-CB 3.3Å; L45-L49 WeakPolarHBondContact O-CB 3.5Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 3.48Å |
| 46 | P | 89.1 | Confident | 82.1 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 51% | 0.506 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | -176.1 | 25.4 | -34.4 | 0 | 0 | 0 | 113.5 | F42 T43 F50 | F42-P46 WeakPolarHBondContact O-CD 3.41Å; T43-P46 WeakPolarHBondContact O-CD 3.45Å; P46-F50 VanDerWaalsContact O-CB 3.25Å; P46-F50 WeakPolarHBondContact O-CB 3.32Å; P46-F50 PolarHBondContact O-N 3.1Å |
| 47 | I | 85.7 | Confident | 82.2 | Confident | 67 Ų | 67 | 70.6 Ų | 70.6 | 34% | 0.344 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.1 | -42.4 | 179 | -60.2 | 179.1 | 0 | 0 | 0 | 110 | Y39 T43 F50 E51 | Y39-I47 HydrophobicContact CD1-CB 4.23Å; Y39-I47 HydrophobicContact CD1-CG2 4.2Å; Y39-I47 HydrophobicContact CE1-CB 4.22Å; Y39-I47 HydrophobicContact CE1-CG2 3.83Å; T43-I47 HydrophobicContact CG2-CD1 4.48Å; T43-I47 VanDerWaalsContact O-CB 3.24Å; T43-I47 WeakPolarHBondContact O-CB 3.19Å; T43-I47 VanDerWaalsContact O-CG1 3.25Å; T43-I47 WeakPolarHBondContact O-CG1 3.39Å; T43-I47 PolarHBondContact O-N 2.76Å; T43-I47 VanDerWaalsContact O-N 3.09Å; I47-F50 WeakPolarHBondContact O-CB 3.22Å; I47-F50 PolarHBondContact O-N 3.49Å; I47-E51 HydrophobicContact CG2-CG 4.37Å; I47-E51 WeakPolarHBondContact O-CG 3.44Å; I47-E51 PolarHBondContact O-N 3.27Å |
| 48 | N | 86.2 | Confident | 82.4 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 178.6 | -171.8 | 3.3 | 0 | 0 | 0 | 111.2 | F44 F50 E51 Q52 A93 D96 | F44-N48 HydrophobicContact CE2-CB 4.41Å; F44-N48 WeakPolarHBondContact CZ-ND2 3.42Å; F44-N48 WeakPolarHBondContact O-CA 3.37Å; F44-N48 WeakPolarHBondContact O-CB 3.48Å; F44-N48 PolarHBondContact O-N 2.85Å; N48-F50 VanDerWaalsContact C-N 3.3Å; N48-F50 PolarHBondContact O-N 2.92Å; N48-E51 PolarHBondContact O-N 3.49Å; N48-Q52 WeakPolarHBondContact O-CB 3.41Å; N48-Q52 VanDerWaalsContact O-CG 3.29Å; N48-Q52 WeakPolarHBondContact O-CG 3.39Å; N48-Q52 PolarHBondContact O-N 2.84Å; N48-Q52 PolarHBondContact OD1-NE2 2.9Å; N48-A93 WeakPolarHBondContact ND2-CA 3.49Å; N48-D96 PolarHBondContact OD1-OD2 3.19Å |
| 49 | L | 85.3 | Confident | 83 | Confident | 55 Ų | 55 | 68.1 Ų | 68.1 | 29% | 0.288 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.5 | -42 | 174.7 | -74.1 | 172.9 | 0 | 0 | 0 | 111.7 | L45 E51 Q52 F53 | L45-L49 HydrophobicContact CD1-CD1 3.88Å; L45-L49 HydrophobicContact CD1-CG 4.23Å; L45-L49 HydrophobicContact CG-CD1 3.89Å; L45-L49 VanDerWaalsContact O-CB 3.3Å; L45-L49 WeakPolarHBondContact O-CB 3.5Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 3.48Å; L49-E51 PolarHBondContact O-N 3.29Å; L49-Q52 PolarHBondContact O-N 2.88Å; L49-F53 HydrophobicContact CB-CD2 4.35Å; L49-F53 HydrophobicContact CB-CE2 4.19Å; L49-F53 HydrophobicContact CD2-CE2 4.14Å; L49-F53 WeakPolarHBondContact O-CD2 3.42Å; L49-F53 PolarHBondContact O-N 3.38Å |
| 50 | F | 85.4 | Confident | 83.2 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 50% | 0.496 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.9 | -176.6 | -106.4 | 0 | 0 | 0 | 112.2 | P46 I47 N48 F53 Q54 | P46-F50 VanDerWaalsContact O-CB 3.25Å; P46-F50 WeakPolarHBondContact O-CB 3.32Å; P46-F50 PolarHBondContact O-N 3.1Å; I47-F50 WeakPolarHBondContact O-CB 3.22Å; I47-F50 PolarHBondContact O-N 3.49Å; N48-F50 VanDerWaalsContact C-N 3.3Å; N48-F50 PolarHBondContact O-N 2.92Å; F50-F53 PolarHBondContact O-N 3.41Å; F50-Q54 WeakPolarHBondContact O-CG 3.17Å; F50-Q54 PolarHBondContact O-N 3.17Å; F50-Q54 VanDerWaalsContact O-N 3.09Å |
| 51 | E | 78.2 | Confident | 83.2 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 175 | -73 | -173.5 | -166 | 0 | 0 | 112.3 | Y39 I47 N48 L49 Q54 | Y39-E51 PolarHBondContact OH-OE2 3.39Å; Y39-E51 VanDerWaalsContact OH-OE2 3.09Å; I47-E51 HydrophobicContact CG2-CG 4.37Å; I47-E51 WeakPolarHBondContact O-CG 3.44Å; I47-E51 PolarHBondContact O-N 3.27Å; N48-E51 PolarHBondContact O-N 3.49Å; L49-E51 PolarHBondContact O-N 3.29Å; E51-Q54 PolarHBondContact O-N 3.17Å |
| 52 | Q | 81.7 | Confident | 83.3 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.009 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 176.1 | -71.2 | 179.7 | 14.6 | 0 | 0 | 111.8 | N48 L49 Q54 R55 N58 L89 T92 | N48-Q52 WeakPolarHBondContact O-CB 3.41Å; N48-Q52 VanDerWaalsContact O-CG 3.29Å; N48-Q52 WeakPolarHBondContact O-CG 3.39Å; N48-Q52 PolarHBondContact O-N 2.84Å; N48-Q52 PolarHBondContact OD1-NE2 2.9Å; L49-Q52 PolarHBondContact O-N 2.88Å; Q52-Q54 VanDerWaalsContact C-N 3.33Å; Q52-Q54 PolarHBondContact O-N 2.86Å; Q52-R55 VanDerWaalsContact O-CB 3.31Å; Q52-R55 WeakPolarHBondContact O-CB 2.94Å; Q52-R55 WeakPolarHBondContact O-CG 3.41Å; Q52-R55 PolarHBondContact O-N 3.23Å; Q52-N58 WeakPolarHBondContact O-CB 3.47Å; Q52-N58 PolarHBondContact O-ND2 2.93Å; Q52-L89 HydrophobicContact CB-CD2 4.05Å; Q52-T92 HydrophobicContact CG-CG2 4.22Å |
| 53 | F | 81.9 | Confident | 83.3 | Confident | 77 Ų | 77 | 57.2 Ų | 57.2 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -77.8 | -13.2 | 177.7 | -69.5 | -55.6 | 0 | 0 | 0 | 114.3 | L49 F50 R55 N58 V62 L89 | L49-F53 HydrophobicContact CB-CD2 4.35Å; L49-F53 HydrophobicContact CB-CE2 4.19Å; L49-F53 HydrophobicContact CD2-CE2 4.14Å; L49-F53 WeakPolarHBondContact O-CD2 3.42Å; L49-F53 PolarHBondContact O-N 3.38Å; F50-F53 PolarHBondContact O-N 3.41Å; F53-R55 PolarHBondContact O-N 3.3Å; F53-N58 HydrophobicContact CD1-CB 4.15Å; F53-V62 HydrophobicContact CD1-CG2 3.79Å; F53-V62 HydrophobicContact CE1-CG2 3.29Å; F53-V62 HydrophobicContact CZ-CG2 4.1Å; F53-L89 HydrophobicContact CE1-CD1 4.24Å; F53-L89 HydrophobicContact CE1-CD2 4.42Å; F53-L89 HydrophobicContact CZ-CD1 3.9Å |
| 54 | Q | 77.3 | Confident | 83.2 | Confident | 127 Ų | 127 | 54.9 Ų | 54.9 | 59% | 0.593 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -15.2 | 165.9 | -76.4 | 179.7 | -1.4 | 0 | 0 | 112.8 | F50 E51 Q52 | F50-Q54 WeakPolarHBondContact O-CG 3.17Å; F50-Q54 PolarHBondContact O-N 3.17Å; F50-Q54 VanDerWaalsContact O-N 3.09Å; E51-Q54 PolarHBondContact O-N 3.17Å; Q52-Q54 VanDerWaalsContact C-N 3.33Å; Q52-Q54 PolarHBondContact O-N 2.86Å |
| 55 | R | 74.9 | Confident | 83.1 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 38% | 0.381 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -75.8 | 126.5 | 172.9 | -56.5 | -177.6 | -174.9 | -171.9 | 2.8 | 109.3 | Q52 F53 A57 N58 A59 | Q52-R55 VanDerWaalsContact O-CB 3.31Å; Q52-R55 WeakPolarHBondContact O-CB 2.94Å; Q52-R55 WeakPolarHBondContact O-CG 3.41Å; Q52-R55 PolarHBondContact O-N 3.23Å; F53-R55 PolarHBondContact O-N 3.3Å; R55-A57 VanDerWaalsContact C-N 3.26Å; R55-A57 PolarHBondContact O-N 2.75Å; R55-N58 HydrophobicContact CB-CB 4.43Å; R55-N58 PolarHBondContact O-N 2.71Å; R55-N58 VanDerWaalsContact O-N 3.08Å; R55-A59 PolarHBondContact O-N 3.08Å; R55-A59 VanDerWaalsContact O-N 3.09Å |
| 56 | V | 76.2 | Confident | 83.1 | Confident | 86 Ų | 86 | 54 Ų | 54 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.6 | -41.3 | -176.1 | -179 | 0 | 0 | 0 | 0 | 112.3 | A59 Y60 L278 F281 | V56-A59 PolarHBondContact O-N 3.02Å; V56-Y60 PolarHBondContact O-N 2.78Å; V56-L278 HydrophobicContact CG1-CD2 4.39Å; V56-F281 HydrophobicContact CG1-CE2 4.18Å |
| 57 | A | 76.6 | Confident | 83 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | R55 A59 Y60 F61 Y343 | R55-A57 VanDerWaalsContact C-N 3.26Å; R55-A57 PolarHBondContact O-N 2.75Å; A57-A59 VanDerWaalsContact C-N 3.33Å; A57-A59 PolarHBondContact O-N 3.15Å; A57-Y60 WeakPolarHBondContact O-CB 3.14Å; A57-Y60 PolarHBondContact O-N 3.46Å; A57-F61 HydrophobicContact CB-CE2 4.2Å; A57-F61 WeakPolarHBondContact O-CD2 3.22Å; A57-F61 WeakPolarHBondContact O-CE2 3.15Å; A57-F61 PolarHBondContact O-N 2.9Å; A57-F61 VanDerWaalsContact O-N 3.09Å; A57-Y343 HydrophobicContact CB-CD2 4.46Å; A57-Y343 HydrophobicContact CB-CE2 3.6Å |
| 58 | N | 81.6 | Confident | 83.1 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 179.3 | -69.1 | -13.9 | 0 | 0 | 0 | 111.3 | Q52 F53 R55 Y60 F61 V62 | Q52-N58 WeakPolarHBondContact O-CB 3.47Å; Q52-N58 PolarHBondContact O-ND2 2.93Å; F53-N58 HydrophobicContact CD1-CB 4.15Å; R55-N58 HydrophobicContact CB-CB 4.43Å; R55-N58 PolarHBondContact O-N 2.71Å; R55-N58 VanDerWaalsContact O-N 3.08Å; N58-Y60 VanDerWaalsContact C-N 3.34Å; N58-F61 PolarHBondContact O-N 2.99Å; N58-V62 WeakPolarHBondContact O-CG2 3.42Å; N58-V62 PolarHBondContact O-N 2.89Å |
| 59 | A | 82.6 | Confident | 83 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 34% | 0.339 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R55 V56 A57 V62 V63 | R55-A59 PolarHBondContact O-N 3.08Å; R55-A59 VanDerWaalsContact O-N 3.09Å; V56-A59 PolarHBondContact O-N 3.02Å; A57-A59 VanDerWaalsContact C-N 3.33Å; A57-A59 PolarHBondContact O-N 3.15Å; A59-V62 PolarHBondContact O-N 3.38Å; A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 2.95Å |
| 60 | Y | 84.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 14% | 0.137 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 175.8 | 166.8 | -103.2 | 0 | 0 | 0 | 112.8 | V56 A57 N58 V62 V63 L64 F281 L284 V338 | V56-Y60 PolarHBondContact O-N 2.78Å; A57-Y60 WeakPolarHBondContact O-CB 3.14Å; A57-Y60 PolarHBondContact O-N 3.46Å; N58-Y60 VanDerWaalsContact C-N 3.34Å; Y60-V62 VanDerWaalsContact C-N 3.3Å; Y60-V62 PolarHBondContact O-N 3.14Å; Y60-V63 PolarHBondContact O-N 3.45Å; Y60-L64 HydrophobicContact CD1-CD1 3.88Å; Y60-L64 HydrophobicContact CD1-CG 4.48Å; Y60-L64 HydrophobicContact CD2-CG 4.4Å; Y60-L64 HydrophobicContact CE1-CD1 3.22Å; Y60-L64 HydrophobicContact CE1-CG 4.05Å; Y60-L64 HydrophobicContact CE2-CD1 3.99Å; Y60-L64 HydrophobicContact CE2-CD2 4.22Å; Y60-L64 HydrophobicContact CE2-CG 3.95Å; Y60-L64 PolarHBondContact O-N 2.98Å; Y60-L64 WeakPolarHBondContact OH-CD1 3.37Å; Y60-F281 AromaticContact CD1-CE1 3.43Å; Y60-F281 HydrophobicContact CD1-CE1 3.43Å; Y60-F281 VanDerWaalsContact CD1-CE1 3.43Å; Y60-F281 AromaticContact CD1-CZ 3.64Å; Y60-F281 HydrophobicContact CD1-CZ 3.64Å; Y60-F281 HydrophobicContact CD2-CD1 4.03Å; Y60-F281 AromaticContact CD2-CE1 3.3Å; Y60-F281 HydrophobicContact CD2-CE1 3.3Å; Y60-F281 AromaticContact CD2-CZ 3.84Å; Y60-F281 HydrophobicContact CD2-CZ 3.84Å; Y60-F281 AromaticContact CE1-CE1 3.55Å; Y60-F281 HydrophobicContact CE1-CE1 3.55Å; Y60-F281 HydrophobicContact CE1-CZ 4.21Å; Y60-F281 AromaticContact CE2-CD1 3.93Å; Y60-F281 HydrophobicContact CE2-CD1 3.93Å; Y60-F281 AromaticContact CE2-CE1 3.44Å; Y60-F281 HydrophobicContact CE2-CE1 3.44Å; Y60-F281 VanDerWaalsContact CE2-CE1 3.44Å; Y60-F281 HydrophobicContact CE2-CZ 4.4Å; Y60-F281 HydrophobicContact CG-CD1 4.39Å; Y60-F281 AromaticContact CG-CE1 3.27Å; Y60-F281 HydrophobicContact CG-CE1 3.27Å; Y60-F281 AromaticContact CG-CZ 3.41Å; Y60-F281 HydrophobicContact CG-CZ 3.41Å; Y60-F281 VanDerWaalsContact CG-CZ 3.41Å; Y60-F281 AromaticContact CZ-CE1 3.54Å; Y60-L284 HydrophobicContact CE2-CD2 4.42Å; Y60-L284 WeakPolarHBondContact OH-CD2 2.93Å; Y60-V338 HydrophobicContact CE1-CB 4.12Å; Y60-V338 HydrophobicContact CE1-CG1 4.46Å |
| 61 | F | 84.6 | Confident | 82.8 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 1% | 0.013 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.5 | -30.1 | 179.2 | -63.1 | -58.8 | 0 | 0 | 0 | 113.3 | A57 N58 L64 L65 T81 L85 V338 I340 | A57-F61 HydrophobicContact CB-CE2 4.2Å; A57-F61 WeakPolarHBondContact O-CD2 3.22Å; A57-F61 WeakPolarHBondContact O-CE2 3.15Å; A57-F61 PolarHBondContact O-N 2.9Å; A57-F61 VanDerWaalsContact O-N 3.09Å; N58-F61 PolarHBondContact O-N 2.99Å; F61-L64 HydrophobicContact CD1-CD1 4Å; F61-L64 HydrophobicContact CE1-CD1 4.45Å; F61-L65 WeakPolarHBondContact O-CB 3.44Å; F61-L65 PolarHBondContact O-N 3Å; F61-T81 HydrophobicContact CB-CG2 4.49Å; F61-L85 HydrophobicContact CB-CD1 4Å; F61-L85 HydrophobicContact CB-CD2 4.21Å; F61-V338 WeakPolarHBondContact CE1-O 3.42Å; F61-V338 HydrophobicContact CZ-CB 4.45Å; F61-V338 HydrophobicContact CZ-CG1 3.95Å; F61-V338 WeakPolarHBondContact CZ-O 3.42Å; F61-I340 HydrophobicContact CD1-CD1 3.56Å; F61-I340 HydrophobicContact CD1-CG1 3.44Å; F61-I340 VanDerWaalsContact CD1-CG1 3.44Å; F61-I340 HydrophobicContact CD2-CD1 4.4Å; F61-I340 HydrophobicContact CD2-CG1 3.76Å; F61-I340 HydrophobicContact CE1-CB 4.44Å; F61-I340 HydrophobicContact CE1-CD1 3.72Å; F61-I340 HydrophobicContact CE1-CG1 3.12Å; F61-I340 HydrophobicContact CE2-CB 4.23Å; F61-I340 HydrophobicContact CE2-CG1 3.47Å; F61-I340 VanDerWaalsContact CE2-CG1 3.47Å; F61-I340 HydrophobicContact CG-CD1 3.96Å; F61-I340 HydrophobicContact CG-CG1 3.77Å; F61-I340 HydrophobicContact CZ-CB 4.1Å; F61-I340 HydrophobicContact CZ-CD1 4.21Å; F61-I340 HydrophobicContact CZ-CG1 3.15Å |
| 62 | V | 85.6 | Confident | 82.8 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 171.5 | 173.9 | 0 | 0 | 0 | 0 | 111 | F53 N58 A59 Y60 L64 L65 I66 L85 | F53-V62 HydrophobicContact CD1-CG2 3.79Å; F53-V62 HydrophobicContact CE1-CG2 3.29Å; F53-V62 HydrophobicContact CZ-CG2 4.1Å; N58-V62 WeakPolarHBondContact O-CG2 3.42Å; N58-V62 PolarHBondContact O-N 2.89Å; A59-V62 PolarHBondContact O-N 3.38Å; Y60-V62 VanDerWaalsContact C-N 3.3Å; Y60-V62 PolarHBondContact O-N 3.14Å; V62-L64 VanDerWaalsContact C-N 3.32Å; V62-L64 PolarHBondContact O-N 3.3Å; V62-L65 WeakPolarHBondContact O-CB 3.39Å; V62-L65 PolarHBondContact O-N 3.05Å; V62-I66 HydrophobicContact CG1-CD1 4.2Å; V62-I66 WeakPolarHBondContact O-CG1 3.41Å; V62-I66 PolarHBondContact O-N 2.77Å; V62-L85 HydrophobicContact CG2-CD2 4.21Å |
| 63 | V | 87 | Confident | 82.9 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | A59 Y60 L65 I66 L67 | A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 2.95Å; Y60-V63 PolarHBondContact O-N 3.45Å; V63-L65 PolarHBondContact O-N 3.15Å; V63-I66 PolarHBondContact O-N 2.7Å; V63-L67 HydrophobicContact CG1-CD1 4.2Å; V63-L67 WeakPolarHBondContact O-CG 3.35Å; V63-L67 PolarHBondContact O-N 2.95Å |
| 64 | L | 85.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 174.7 | -77.5 | 177.9 | 0 | 0 | 0 | 113.2 | Y60 F61 V62 I66 L67 Q68 I331 N335 | Y60-L64 HydrophobicContact CD1-CD1 3.88Å; Y60-L64 HydrophobicContact CD1-CG 4.48Å; Y60-L64 HydrophobicContact CD2-CG 4.4Å; Y60-L64 HydrophobicContact CE1-CD1 3.22Å; Y60-L64 HydrophobicContact CE1-CG 4.05Å; Y60-L64 HydrophobicContact CE2-CD1 3.99Å; Y60-L64 HydrophobicContact CE2-CD2 4.22Å; Y60-L64 HydrophobicContact CE2-CG 3.95Å; Y60-L64 PolarHBondContact O-N 2.98Å; Y60-L64 WeakPolarHBondContact OH-CD1 3.37Å; F61-L64 HydrophobicContact CD1-CD1 4Å; F61-L64 HydrophobicContact CE1-CD1 4.45Å; V62-L64 VanDerWaalsContact C-N 3.32Å; V62-L64 PolarHBondContact O-N 3.3Å; L64-I66 VanDerWaalsContact C-N 3.28Å; L64-I66 PolarHBondContact O-N 3.32Å; L64-L67 PolarHBondContact O-N 3.13Å; L64-L67 VanDerWaalsContact O-N 3.17Å; L64-Q68 WeakPolarHBondContact O-CG 3.17Å; L64-Q68 PolarHBondContact O-N 3.21Å; L64-I331 HydrophobicContact CD2-CG2 4.01Å; L64-N335 HydrophobicContact CD1-CB 3.52Å; L64-N335 HydrophobicContact CD2-CB 4.38Å |
| 65 | L | 86.7 | Confident | 82.8 | Confident | 31 Ų | 31 | 51.3 Ų | 51.3 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 176.7 | -178.9 | 65.7 | 0 | 0 | 0 | 110.7 | F61 V62 V63 L67 Q68 L69 I82 | F61-L65 WeakPolarHBondContact O-CB 3.44Å; F61-L65 PolarHBondContact O-N 3Å; V62-L65 WeakPolarHBondContact O-CB 3.39Å; V62-L65 PolarHBondContact O-N 3.05Å; V63-L65 PolarHBondContact O-N 3.15Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 2.81Å; L65-Q68 PolarHBondContact O-N 3.43Å; L65-L69 WeakPolarHBondContact O-CG 3.11Å; L65-L69 PolarHBondContact O-N 2.76Å; L65-I82 HydrophobicContact CD1-CB 3.95Å; L65-I82 HydrophobicContact CD2-CB 4.45Å; L65-I82 HydrophobicContact CD2-CD1 4.17Å; L65-I82 HydrophobicContact CD2-CG1 4.19Å |
| 66 | I | 88.7 | Confident | 83 | Confident | 102 Ų | 102 | 46.7 Ų | 46.7 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.4 | -65.6 | 165.1 | 0 | 0 | 0 | 110.7 | V62 V63 L64 L69 | V62-I66 HydrophobicContact CG1-CD1 4.2Å; V62-I66 WeakPolarHBondContact O-CG1 3.41Å; V62-I66 PolarHBondContact O-N 2.77Å; V63-I66 PolarHBondContact O-N 2.7Å; L64-I66 VanDerWaalsContact C-N 3.28Å; L64-I66 PolarHBondContact O-N 3.32Å; I66-L69 PolarHBondContact O-N 2.79Å |
| 67 | L | 87.1 | Confident | 83.3 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 177.6 | -68.2 | 169.5 | 0 | 0 | 0 | 112.6 | V63 L64 L65 L69 I70 W328 I332 | V63-L67 HydrophobicContact CG1-CD1 4.2Å; V63-L67 WeakPolarHBondContact O-CG 3.35Å; V63-L67 PolarHBondContact O-N 2.95Å; L64-L67 PolarHBondContact O-N 3.13Å; L64-L67 VanDerWaalsContact O-N 3.17Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 2.81Å; L67-L69 PolarHBondContact O-N 2.88Å; L67-I70 HydrophobicContact CD2-CD1 4.44Å; L67-I70 WeakPolarHBondContact O-CB 3.43Å; L67-I70 PolarHBondContact O-N 2.88Å; L67-I70 VanDerWaalsContact O-N 3.14Å; L67-W328 HydrophobicContact CD1-CE3 3.57Å; L67-W328 HydrophobicContact CD1-CZ3 3.66Å; L67-W328 HydrophobicContact CD2-CD2 4.44Å; L67-W328 HydrophobicContact CD2-CE3 4.13Å; L67-W328 HydrophobicContact CD2-CZ3 4.43Å; L67-I332 HydrophobicContact CB-CD1 4.36Å |
| 68 | Q | 86.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -19.8 | 177.4 | -78 | -178.4 | -24.1 | 0 | 0 | 113.9 | L64 L65 S74 T81 I332 | L64-Q68 WeakPolarHBondContact O-CG 3.17Å; L64-Q68 PolarHBondContact O-N 3.21Å; L65-Q68 PolarHBondContact O-N 3.43Å; Q68-S74 WeakPolarHBondContact O-CB 3.16Å; Q68-S74 PolarHBondContact O-OG 3.18Å; Q68-T81 PolarHBondContact NE2-OG1 2.59Å; Q68-T81 PolarHBondContact OE1-OG1 3.38Å; Q68-I332 HydrophobicContact CG-CD1 3.91Å; Q68-I332 HydrophobicContact CG-CG1 4.11Å; Q68-I332 HydrophobicContact CG-CG2 3.85Å |
| 69 | L | 86 | Confident | 83.5 | Confident | 110 Ų | 110 | 52 Ų | 52 | 58% | 0.576 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13 | 174.3 | -68.6 | 170.9 | 0 | 0 | 0 | 112.6 | L65 I66 L67 P71 W78 | L65-L69 WeakPolarHBondContact O-CG 3.11Å; L65-L69 PolarHBondContact O-N 2.76Å; I66-L69 PolarHBondContact O-N 2.79Å; L67-L69 PolarHBondContact O-N 2.88Å; L69-P71 WeakPolarHBondContact O-CD 3.31Å; L69-W78 HydrophobicContact CD2-CB 4.25Å |
| 70 | I | 86.9 | Confident | 83.2 | Confident | 68 Ų | 68 | 50.8 Ų | 50.8 | 35% | 0.349 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -85.5 | 112.3 | 177.5 | -55.8 | 175.6 | 0 | 0 | 0 | 108.7 | L67 E72 V73 S74 | L67-I70 HydrophobicContact CD2-CD1 4.44Å; L67-I70 WeakPolarHBondContact O-CB 3.43Å; L67-I70 PolarHBondContact O-N 2.88Å; L67-I70 VanDerWaalsContact O-N 3.14Å; I70-E72 VanDerWaalsContact C-N 3.29Å; I70-E72 HydrophobicContact CG2-CB 4.44Å; I70-E72 PolarHBondContact O-N 3.1Å; I70-V73 HydrophobicContact CB-CB 4.49Å; I70-V73 HydrophobicContact CG2-CB 4.47Å; I70-V73 HydrophobicContact CG2-CG2 4.13Å; I70-V73 PolarHBondContact O-N 3.17Å; I70-S74 VanDerWaalsContact O-CB 3.3Å; I70-S74 WeakPolarHBondContact O-CB 3.43Å; I70-S74 PolarHBondContact O-N 3.45Å; I70-S74 VanDerWaalsContact O-N 3.13Å |
| 71 | P | 79.7 | Confident | 83.1 | Confident | 116 Ų | 116 | 49.2 Ų | 49.2 | 75% | 0.753 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -35.6 | -172.7 | -24.3 | 34.4 | 0 | 0 | 0 | 114.2 | L69 V73 S74 | L69-P71 WeakPolarHBondContact O-CD 3.31Å; P71-V73 PolarHBondContact O-N 3.4Å; P71-S74 PolarHBondContact O-N 2.88Å |
| 72 | E | 78 | Confident | 83.1 | Confident | 137 Ų | 137 | 51.5 Ų | 51.5 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.7 | -176.8 | -63 | 162.3 | 178.3 | 0 | 0 | 113.8 | I70 | I70-E72 VanDerWaalsContact C-N 3.29Å; I70-E72 HydrophobicContact CG2-CB 4.44Å; I70-E72 PolarHBondContact O-N 3.1Å |
| 73 | V | 82.9 | Confident | 82.9 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -17.1 | -175.5 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | I70 P71 S75 L325 W328 S329 I332 | I70-V73 HydrophobicContact CB-CB 4.49Å; I70-V73 HydrophobicContact CG2-CB 4.47Å; I70-V73 HydrophobicContact CG2-CG2 4.13Å; I70-V73 PolarHBondContact O-N 3.17Å; P71-V73 PolarHBondContact O-N 3.4Å; V73-S75 PolarHBondContact O-N 3.28Å; V73-S75 VanDerWaalsContact O-N 3.16Å; V73-L325 HydrophobicContact CG2-CD2 3.93Å; V73-W328 HydrophobicContact CG1-CB 3.28Å; V73-W328 HydrophobicContact CG1-CG 4.44Å; V73-W328 HydrophobicContact CG2-CB 4.47Å; V73-S329 PolarHBondContact O-OG 2.95Å; V73-S329 VanDerWaalsContact O-OG 3.12Å; V73-I332 HydrophobicContact CG1-CD1 3.82Å |
| 74 | S | 81.3 | Confident | 82.3 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | trans | -80.1 | 100.9 | -169.2 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | Q68 I70 P71 L76 | Q68-S74 WeakPolarHBondContact O-CB 3.16Å; Q68-S74 PolarHBondContact O-OG 3.18Å; I70-S74 VanDerWaalsContact O-CB 3.3Å; I70-S74 WeakPolarHBondContact O-CB 3.43Å; I70-S74 PolarHBondContact O-N 3.45Å; I70-S74 VanDerWaalsContact O-N 3.13Å; P71-S74 PolarHBondContact O-N 2.88Å; S74-L76 PolarHBondContact OG-O 3.09Å | ||
| 75 | S | 75.2 | Confident | 82.1 | Confident | 28 Ų | 28 | 51 Ų | 51 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -87.8 | -15.3 | 171.5 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | V73 S329 I333 | V73-S75 PolarHBondContact O-N 3.28Å; V73-S75 VanDerWaalsContact O-N 3.16Å; S75-S329 PolarHBondContact OG-O 3.17Å; S75-I333 WeakPolarHBondContact OG-CG1 3.47Å |
| 76 | L | 79.6 | Confident | 82 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -129.7 | 141.9 | -179.6 | -68.9 | 175.3 | 0 | 0 | 0 | 110 | S74 I332 T898 Q902 I905 | S74-L76 PolarHBondContact OG-O 3.09Å; L76-I332 HydrophobicContact CB-CG2 4.07Å; L76-I332 HydrophobicContact CD1-CG2 4.06Å; L76-I332 HydrophobicContact CG-CG2 4.25Å; L76-T898 HydrophobicContact CD2-CG2 3.91Å; L76-Q902 HydrophobicContact CD2-CG 4.46Å; L76-I905 HydrophobicContact CD2-CD1 3.83Å |
| 77 | S | 81.8 | Confident | 81.6 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | trans | -62.1 | 144.4 | 177.7 | -49.6 | 0 | 0 | 0 | 0 | 112.6 | F79 T80 Q902 | S77-F79 VanDerWaalsContact CB-CD1 3.47Å; S77-F79 PolarHBondContact O-N 2.84Å; S77-F79 VanDerWaalsContact O-N 3.09Å; S77-F79 WeakPolarHBondContact OG-CE1 3.33Å; S77-T80 VanDerWaalsContact O-CB 3.32Å; S77-T80 WeakPolarHBondContact O-CB 3.43Å; S77-T80 WeakPolarHBondContact O-CG2 3.48Å; S77-T80 PolarHBondContact O-N 3.08Å; S77-T80 PolarHBondContact O-OG1 3.01Å; S77-Q902 PolarHBondContact OG-OE1 3.31Å | ||
| 78 | W | 82.6 | Confident | 81.2 | Confident | 140 Ų | 140 | 51.6 Ų | 51.6 | 53% | 0.53 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.3 | -178.2 | 62.1 | -90.2 | 0 | 0 | 0 | 114.4 | L69 T80 T81 I82 | L69-W78 HydrophobicContact CD2-CB 4.25Å; W78-T80 PolarHBondContact O-N 2.9Å; W78-T81 PolarHBondContact O-N 3.42Å; W78-I82 HydrophobicContact CE3-CG2 3.82Å; W78-I82 HydrophobicContact CZ3-CD1 4.45Å; W78-I82 HydrophobicContact CZ3-CG2 3.84Å; W78-I82 PolarHBondContact O-N 3.15Å |
| 79 | F | 80 | Confident | 81 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.9 | -21.7 | 179.7 | 60.2 | -100.4 | 0 | 0 | 0 | 112.9 | S77 T81 V83 W903 | S77-F79 VanDerWaalsContact CB-CD1 3.47Å; S77-F79 PolarHBondContact O-N 2.84Å; S77-F79 VanDerWaalsContact O-N 3.09Å; S77-F79 WeakPolarHBondContact OG-CE1 3.33Å; F79-T81 VanDerWaalsContact C-N 3.3Å; F79-T81 PolarHBondContact O-N 2.85Å; F79-V83 WeakPolarHBondContact O-CB 3.35Å; F79-V83 WeakPolarHBondContact O-CG2 3.44Å; F79-V83 PolarHBondContact O-N 3.24Å; F79-W903 HydrophobicContact CD2-CH2 4.49Å; F79-W903 AromaticContact CE2-CH2 3.94Å; F79-W903 HydrophobicContact CE2-CH2 3.94Å; F79-W903 HydrophobicContact CE2-CZ2 4.16Å; F79-W903 HydrophobicContact CE2-CZ3 4.13Å; F79-W903 HydrophobicContact CZ-CH2 4.44Å; F79-W903 HydrophobicContact CZ-CZ2 4.25Å |
| 80 | T | 77.8 | Confident | 81 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 9% | 0.086 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.5 | -30.1 | -178.8 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | S77 W78 P84 T906 | S77-T80 VanDerWaalsContact O-CB 3.32Å; S77-T80 WeakPolarHBondContact O-CB 3.43Å; S77-T80 WeakPolarHBondContact O-CG2 3.48Å; S77-T80 PolarHBondContact O-N 3.08Å; S77-T80 PolarHBondContact O-OG1 3.01Å; W78-T80 PolarHBondContact O-N 2.9Å; T80-P84 VanDerWaalsContact O-CD 3.32Å; T80-P84 WeakPolarHBondContact O-CD 3.39Å; T80-P84 WeakPolarHBondContact O-CG 3.41Å; T80-T906 HydrophobicContact CG2-CG2 3.39Å |
| 81 | T | 81 | Confident | 80.7 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -100.6 | -39 | 179.9 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | F61 Q68 W78 F79 P84 L85 I340 | F61-T81 HydrophobicContact CB-CG2 4.49Å; Q68-T81 PolarHBondContact NE2-OG1 2.59Å; Q68-T81 PolarHBondContact OE1-OG1 3.38Å; W78-T81 PolarHBondContact O-N 3.42Å; F79-T81 VanDerWaalsContact C-N 3.3Å; F79-T81 PolarHBondContact O-N 2.85Å; T81-P84 WeakPolarHBondContact O-CD 3.34Å; T81-L85 VanDerWaalsContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CB 3.17Å; T81-L85 PolarHBondContact O-N 2.85Å; T81-L85 VanDerWaalsContact O-N 3.17Å; T81-I340 HydrophobicContact CG2-CD1 4.36Å |
| 82 | I | 84.1 | Confident | 80.6 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.9 | -38.8 | -174.9 | -162.5 | 171.4 | 0 | 0 | 0 | 112.7 | L65 W78 L85 V86 | L65-I82 HydrophobicContact CD1-CB 3.95Å; L65-I82 HydrophobicContact CD2-CB 4.45Å; L65-I82 HydrophobicContact CD2-CD1 4.17Å; L65-I82 HydrophobicContact CD2-CG1 4.19Å; W78-I82 HydrophobicContact CE3-CG2 3.82Å; W78-I82 HydrophobicContact CZ3-CD1 4.45Å; W78-I82 HydrophobicContact CZ3-CG2 3.84Å; W78-I82 PolarHBondContact O-N 3.15Å; I82-L85 PolarHBondContact O-N 3.15Å; I82-V86 HydrophobicContact CG1-CG2 4.04Å; I82-V86 WeakPolarHBondContact O-CB 3.31Å; I82-V86 VanDerWaalsContact O-CG2 3.3Å; I82-V86 WeakPolarHBondContact O-CG2 3.46Å; I82-V86 PolarHBondContact O-N 3.44Å |
| 83 | V | 81.1 | Confident | 81 | Confident | 89 Ų | 89 | 40 Ų | 40 | 54% | 0.539 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.8 | -50.5 | -177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | F79 L85 L87 | F79-V83 WeakPolarHBondContact O-CB 3.35Å; F79-V83 WeakPolarHBondContact O-CG2 3.44Å; F79-V83 PolarHBondContact O-N 3.24Å; V83-L85 PolarHBondContact O-N 3.48Å; V83-L87 WeakPolarHBondContact O-CB 3.43Å; V83-L87 PolarHBondContact O-N 2.79Å; V83-L87 VanDerWaalsContact O-N 3.15Å |
| 84 | P | 75.2 | Confident | 81.1 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.1 | -44.3 | 172.4 | -22.6 | 31.2 | 0 | 0 | 0 | 112.9 | T80 T81 L87 V88 I340 I910 | T80-P84 VanDerWaalsContact O-CD 3.32Å; T80-P84 WeakPolarHBondContact O-CD 3.39Å; T80-P84 WeakPolarHBondContact O-CG 3.41Å; T81-P84 WeakPolarHBondContact O-CD 3.34Å; P84-L87 WeakPolarHBondContact O-CB 3.23Å; P84-L87 PolarHBondContact O-N 2.8Å; P84-V88 WeakPolarHBondContact O-CG2 2.99Å; P84-V88 PolarHBondContact O-N 2.9Å; P84-I340 HydrophobicContact CB-CB 4.35Å; P84-I340 HydrophobicContact CB-CD1 3.95Å; P84-I340 HydrophobicContact CB-CG2 3.96Å; P84-I910 HydrophobicContact CB-CD1 4.43Å; P84-I910 HydrophobicContact CG-CD1 3.86Å |
| 85 | L | 82.2 | Confident | 80.9 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -48 | -177.4 | -179.2 | 62.1 | 0 | 0 | 0 | 111.7 | F61 V62 T81 I82 V83 L87 V88 L89 | F61-L85 HydrophobicContact CB-CD1 4Å; F61-L85 HydrophobicContact CB-CD2 4.21Å; V62-L85 HydrophobicContact CG2-CD2 4.21Å; T81-L85 VanDerWaalsContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CB 3.17Å; T81-L85 PolarHBondContact O-N 2.85Å; T81-L85 VanDerWaalsContact O-N 3.17Å; I82-L85 PolarHBondContact O-N 3.15Å; V83-L85 PolarHBondContact O-N 3.48Å; L85-L87 VanDerWaalsContact C-N 3.3Å; L85-L87 PolarHBondContact O-N 2.95Å; L85-V88 WeakPolarHBondContact O-CB 3.47Å; L85-V88 PolarHBondContact O-N 2.91Å; L85-L89 HydrophobicContact CD1-CD1 4.28Å; L85-L89 HydrophobicContact CD1-CG 4.3Å; L85-L89 HydrophobicContact CG-CD1 4.06Å; L85-L89 HydrophobicContact CG-CG 4.47Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 3.47Å |
| 86 | V | 84.9 | Confident | 81 | Confident | 75 Ų | 75 | 42.9 Ų | 42.9 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | I82 V88 L89 V90 | I82-V86 HydrophobicContact CG1-CG2 4.04Å; I82-V86 WeakPolarHBondContact O-CB 3.31Å; I82-V86 VanDerWaalsContact O-CG2 3.3Å; I82-V86 WeakPolarHBondContact O-CG2 3.46Å; I82-V86 PolarHBondContact O-N 3.44Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 2.67Å; V86-L89 PolarHBondContact O-N 3.03Å; V86-V90 HydrophobicContact CG1-CG2 4.12Å; V86-V90 WeakPolarHBondContact O-CB 3.42Å; V86-V90 WeakPolarHBondContact O-CG2 3.36Å; V86-V90 PolarHBondContact O-N 2.9Å |
| 87 | L | 80.4 | Confident | 81.2 | Confident | 87 Ų | 87 | 44.5 Ų | 44.5 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 177.2 | -176 | 135.8 | 0 | 0 | 0 | 112 | V83 P84 L85 I91 V344 | V83-L87 WeakPolarHBondContact O-CB 3.43Å; V83-L87 PolarHBondContact O-N 2.79Å; V83-L87 VanDerWaalsContact O-N 3.15Å; P84-L87 WeakPolarHBondContact O-CB 3.23Å; P84-L87 PolarHBondContact O-N 2.8Å; L85-L87 VanDerWaalsContact C-N 3.3Å; L85-L87 PolarHBondContact O-N 2.95Å; L87-I91 HydrophobicContact CD2-CD1 3.66Å; L87-I91 HydrophobicContact CG-CD1 4.06Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 2.84Å; L87-V344 HydrophobicContact CD2-CG1 4.38Å |
| 88 | V | 77.6 | Confident | 81.1 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | P84 L85 V86 V90 I91 T92 I340 V344 | P84-V88 WeakPolarHBondContact O-CG2 2.99Å; P84-V88 PolarHBondContact O-N 2.9Å; L85-V88 WeakPolarHBondContact O-CB 3.47Å; L85-V88 PolarHBondContact O-N 2.91Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 2.67Å; V88-V90 VanDerWaalsContact C-N 3.32Å; V88-V90 PolarHBondContact O-N 2.79Å; V88-I91 PolarHBondContact O-N 2.69Å; V88-T92 WeakPolarHBondContact O-CB 3.4Å; V88-T92 PolarHBondContact O-N 3.48Å; V88-T92 PolarHBondContact O-OG1 2.92Å; V88-I340 HydrophobicContact CG2-CG2 3.25Å; V88-V344 HydrophobicContact CB-CG2 3.67Å; V88-V344 HydrophobicContact CG1-CG2 3.68Å; V88-V344 HydrophobicContact CG2-CG2 3.24Å |
| 89 | L | 83.8 | Confident | 80.6 | Confident | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.11 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | -177.8 | -64 | 173.6 | 0 | 0 | 0 | 110.6 | Q52 F53 L85 V86 A93 | Q52-L89 HydrophobicContact CB-CD2 4.05Å; F53-L89 HydrophobicContact CE1-CD1 4.24Å; F53-L89 HydrophobicContact CE1-CD2 4.42Å; F53-L89 HydrophobicContact CZ-CD1 3.9Å; L85-L89 HydrophobicContact CD1-CD1 4.28Å; L85-L89 HydrophobicContact CD1-CG 4.3Å; L85-L89 HydrophobicContact CG-CD1 4.06Å; L85-L89 HydrophobicContact CG-CG 4.47Å; L85-L89 VanDerWaalsContact O-CG 3.28Å; L85-L89 WeakPolarHBondContact O-CG 3.49Å; L85-L89 PolarHBondContact O-N 3.47Å; V86-L89 PolarHBondContact O-N 3.03Å; L89-A93 WeakPolarHBondContact O-CB 3.34Å; L89-A93 PolarHBondContact O-N 3.21Å |
| 90 | V | 86 | Confident | 80.5 | Confident | 79 Ų | 79 | 40.4 Ų | 40.4 | 48% | 0.479 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.7 | -49.4 | 177.1 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | V86 V88 T92 A93 V94 | V86-V90 HydrophobicContact CG1-CG2 4.12Å; V86-V90 WeakPolarHBondContact O-CB 3.42Å; V86-V90 WeakPolarHBondContact O-CG2 3.36Å; V86-V90 PolarHBondContact O-N 2.9Å; V88-V90 VanDerWaalsContact C-N 3.32Å; V88-V90 PolarHBondContact O-N 2.79Å; V90-T92 VanDerWaalsContact C-N 3.31Å; V90-T92 PolarHBondContact O-N 3.35Å; V90-A93 PolarHBondContact O-N 2.84Å; V90-A93 VanDerWaalsContact O-N 3.16Å; V90-V94 HydrophobicContact CG1-CG2 4.34Å; V90-V94 WeakPolarHBondContact O-CG2 3.26Å; V90-V94 PolarHBondContact O-N 3.43Å |
| 91 | I | 80.6 | Confident | 80.8 | Confident | 59 Ų | 59 | 47 Ų | 47 | 30% | 0.303 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 179.6 | -69.9 | 169.7 | 0 | 0 | 0 | 110.6 | L87 V88 A93 V94 K95 V344 | L87-I91 HydrophobicContact CD2-CD1 3.66Å; L87-I91 HydrophobicContact CG-CD1 4.06Å; L87-I91 WeakPolarHBondContact O-CG1 3.46Å; L87-I91 PolarHBondContact O-N 2.84Å; V88-I91 PolarHBondContact O-N 2.69Å; I91-A93 VanDerWaalsContact C-N 3.33Å; I91-A93 PolarHBondContact O-N 3.4Å; I91-V94 PolarHBondContact O-N 2.61Å; I91-K95 PolarHBondContact O-N 2.81Å; I91-K95 VanDerWaalsContact O-N 3.08Å; I91-V344 HydrophobicContact CD1-CG1 3.63Å |
| 92 | T | 77 | Confident | 80.5 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 177 | -50.8 | 0 | 0 | 0 | 0 | 111 | Q52 V88 V90 K95 D96 | Q52-T92 HydrophobicContact CG-CG2 4.22Å; V88-T92 WeakPolarHBondContact O-CB 3.4Å; V88-T92 PolarHBondContact O-N 3.48Å; V88-T92 PolarHBondContact O-OG1 2.92Å; V90-T92 VanDerWaalsContact C-N 3.31Å; V90-T92 PolarHBondContact O-N 3.35Å; T92-K95 PolarHBondContact O-N 3.44Å; T92-D96 PolarHBondContact O-N 3.02Å |
| 93 | A | 85.2 | Confident | 80 | Confident | 20 Ų | 20 | 54 Ų | 54 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F44 N48 L89 V90 I91 K95 D96 A97 | F44-A93 HydrophobicContact CE1-CB 4.48Å; F44-A93 HydrophobicContact CZ-CB 4.28Å; F44-A93 WeakPolarHBondContact CZ-O 3.4Å; N48-A93 WeakPolarHBondContact ND2-CA 3.49Å; L89-A93 WeakPolarHBondContact O-CB 3.34Å; L89-A93 PolarHBondContact O-N 3.21Å; V90-A93 PolarHBondContact O-N 2.84Å; V90-A93 VanDerWaalsContact O-N 3.16Å; I91-A93 VanDerWaalsContact C-N 3.33Å; I91-A93 PolarHBondContact O-N 3.4Å; A93-K95 VanDerWaalsContact C-N 3.31Å; A93-K95 PolarHBondContact O-N 2.68Å; A93-D96 PolarHBondContact O-N 3.32Å; A93-A97 VanDerWaalsContact O-CB 3.28Å; A93-A97 WeakPolarHBondContact O-CB 3.41Å; A93-A97 PolarHBondContact O-N 3.38Å |
| 94 | V | 84.9 | Confident | 80.1 | Confident | 87 Ų | 87 | 53.3 Ų | 53.3 | 53% | 0.527 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 177.2 | 170.1 | 0 | 0 | 0 | 0 | 111 | V90 I91 A97 T98 | V90-V94 HydrophobicContact CG1-CG2 4.34Å; V90-V94 WeakPolarHBondContact O-CG2 3.26Å; V90-V94 PolarHBondContact O-N 3.43Å; I91-V94 PolarHBondContact O-N 2.61Å; V94-A97 PolarHBondContact O-N 3.28Å; V94-T98 WeakPolarHBondContact O-CB 3.31Å; V94-T98 PolarHBondContact O-N 3.01Å; V94-T98 PolarHBondContact O-OG1 2.91Å |
| 95 | K | 78 | Confident | 80.4 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -55.3 | 173.8 | 179.8 | -162.5 | 174.4 | 178.2 | 0 | 111.3 | I91 T92 A93 A97 T98 D99 E347 T377 | I91-K95 PolarHBondContact O-N 2.81Å; I91-K95 VanDerWaalsContact O-N 3.08Å; T92-K95 PolarHBondContact O-N 3.44Å; A93-K95 VanDerWaalsContact C-N 3.31Å; A93-K95 PolarHBondContact O-N 2.68Å; K95-A97 PolarHBondContact O-N 3.29Å; K95-T98 WeakPolarHBondContact O-CB 3.36Å; K95-T98 PolarHBondContact O-N 2.98Å; K95-D99 PolarHBondContact O-N 2.79Å; K95-E347 IonicContact NZ-OE1 3.55Å; K95-E347 IonicContact NZ-OE2 3.12Å; K95-E347 PolarHBondContact NZ-OE2 3.05Å; K95-T377 WeakPolarHBondContact CE-OG1 3.3Å |
| 96 | D | 77.8 | Confident | 80 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -32.8 | -177.7 | -68.9 | -27.5 | 0 | 0 | 0 | 112.3 | Y39 F44 N48 T92 A93 D100 | Y39-D96 HydrophobicContact CE2-CB 4.45Å; F44-D96 HydrophobicContact CE2-CB 4.41Å; N48-D96 PolarHBondContact OD1-OD2 3.19Å; T92-D96 PolarHBondContact O-N 3.02Å; A93-D96 PolarHBondContact O-N 3.32Å; D96-D100 WeakPolarHBondContact O-CB 3.31Å; D96-D100 PolarHBondContact O-N 2.78Å; D96-D100 VanDerWaalsContact O-N 3.09Å |
| 97 | A | 83.8 | Confident | 79.8 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F44 A93 V94 K95 Y101 | F44-A97 HydrophobicContact CE1-CB 4.3Å; F44-A97 HydrophobicContact CE2-CB 3.87Å; F44-A97 HydrophobicContact CZ-CB 3.6Å; A93-A97 VanDerWaalsContact O-CB 3.28Å; A93-A97 WeakPolarHBondContact O-CB 3.41Å; A93-A97 PolarHBondContact O-N 3.38Å; V94-A97 PolarHBondContact O-N 3.28Å; K95-A97 PolarHBondContact O-N 3.29Å; A97-Y101 VanDerWaalsContact O-CB 3.3Å; A97-Y101 WeakPolarHBondContact O-CB 3.41Å; A97-Y101 PolarHBondContact O-N 2.86Å |
| 98 | T | 79.3 | Confident | 80.1 | Confident | 64 Ų | 64 | 61.9 Ų | 61.9 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 178.7 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | V94 K95 D100 Y101 F102 | V94-T98 WeakPolarHBondContact O-CB 3.31Å; V94-T98 PolarHBondContact O-N 3.01Å; V94-T98 PolarHBondContact O-OG1 2.91Å; K95-T98 WeakPolarHBondContact O-CB 3.36Å; K95-T98 PolarHBondContact O-N 2.98Å; T98-D100 PolarHBondContact O-N 2.84Å; T98-Y101 WeakPolarHBondContact O-CB 3.18Å; T98-Y101 PolarHBondContact O-N 2.78Å; T98-F102 HydrophobicContact CG2-CD2 4.09Å; T98-F102 HydrophobicContact CG2-CE2 3.67Å; T98-F102 WeakPolarHBondContact O-CD2 3.47Å; T98-F102 PolarHBondContact O-N 3.48Å; T98-F102 VanDerWaalsContact O-N 3.16Å |
| 99 | D | 71.2 | Confident | 80.4 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 177.5 | -72.2 | -5.3 | 0 | 0 | 0 | 111.9 | K95 F102 R103 | K95-D99 PolarHBondContact O-N 2.79Å; D99-F102 PolarHBondContact O-N 2.84Å; D99-R103 PolarHBondContact O-N 3.47Å |
| 100 | D | 79.5 | Confident | 80.3 | Confident | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.2 | -32.4 | 179.3 | -151.6 | 60.3 | 0 | 0 | 0 | 111.7 | K38 Y39 D96 T98 F102 R103 H104 | K38-D100 PolarHBondContact N-OD1 3.22Å; Y39-D100 WeakPolarHBondContact CB-OD2 3.47Å; Y39-D100 HydrophobicContact CD2-CB 3.85Å; Y39-D100 PolarHBondContact N-OD2 3.01Å; Y39-D100 VanDerWaalsContact N-OD2 3.12Å; D96-D100 WeakPolarHBondContact O-CB 3.31Å; D96-D100 PolarHBondContact O-N 2.78Å; D96-D100 VanDerWaalsContact O-N 3.09Å; T98-D100 PolarHBondContact O-N 2.84Å; D100-F102 PolarHBondContact O-N 3.17Å; D100-R103 WeakPolarHBondContact O-CB 3.39Å; D100-R103 PolarHBondContact O-N 2.88Å; D100-H104 PolarHBondContact O-CD2 3Å; D100-H104 PolarHBondContact O-N 2.89Å; D100-H104 IonicContact OD2-CD2 3.99Å; D100-H104 PolarHBondContact OD2-CD2 3.14Å; D100-H104 IonicContact OD2-NE2 2.75Å; D100-H104 PolarHBondContact OD2-NE2 2.72Å |
| 101 | Y | 82.6 | Confident | 80.5 | Confident | 152 Ų | 152 | 65.1 Ų | 65.1 | 60% | 0.596 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 173.5 | 174.9 | -100.6 | 0 | 0 | 0 | 112 | A97 T98 R103 H104 K105 | A97-Y101 VanDerWaalsContact O-CB 3.3Å; A97-Y101 WeakPolarHBondContact O-CB 3.41Å; A97-Y101 PolarHBondContact O-N 2.86Å; T98-Y101 WeakPolarHBondContact O-CB 3.18Å; T98-Y101 PolarHBondContact O-N 2.78Å; Y101-R103 VanDerWaalsContact C-N 3.31Å; Y101-R103 PolarHBondContact O-N 3.04Å; Y101-H104 PolarHBondContact O-N 2.78Å; Y101-K105 PolarHBondContact O-N 2.87Å |
| 102 | F | 75.8 | Confident | 80.9 | Confident | 119 Ų | 119 | 64.9 Ų | 64.9 | 52% | 0.522 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 175.4 | -75.4 | -64.7 | 0 | 0 | 0 | 112.2 | T98 D99 D100 K105 S106 | T98-F102 HydrophobicContact CG2-CD2 4.09Å; T98-F102 HydrophobicContact CG2-CE2 3.67Å; T98-F102 WeakPolarHBondContact O-CD2 3.47Å; T98-F102 PolarHBondContact O-N 3.48Å; T98-F102 VanDerWaalsContact O-N 3.16Å; D99-F102 PolarHBondContact O-N 2.84Å; D100-F102 PolarHBondContact O-N 3.17Å; F102-K105 PolarHBondContact O-N 3.48Å; F102-S106 PolarHBondContact O-N 2.99Å; F102-S106 VanDerWaalsContact O-N 3.08Å |
| 103 | R | 74 | Confident | 81.4 | Confident | 83 Ų | 83 | 68 Ų | 68 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 172.9 | -69 | -177.9 | -177.9 | 151 | 9.3 | 112.3 | D99 D100 Y101 K105 S106 D107 | D99-R103 PolarHBondContact O-N 3.47Å; D100-R103 WeakPolarHBondContact O-CB 3.39Å; D100-R103 PolarHBondContact O-N 2.88Å; Y101-R103 VanDerWaalsContact C-N 3.31Å; Y101-R103 PolarHBondContact O-N 3.04Å; R103-K105 VanDerWaalsContact C-N 3.31Å; R103-K105 PolarHBondContact O-N 2.83Å; R103-S106 PolarHBondContact O-N 2.86Å; R103-D107 WeakPolarHBondContact O-CB 3.41Å; R103-D107 PolarHBondContact O-N 2.73Å |
| 104 | H | 81.9 | Confident | 81.7 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 175.1 | -80.8 | -71.3 | 0 | 0 | 0 | 112.1 | S37 Y39 D100 Y101 R108 | S37-H104 WeakPolarHBondContact CB-CE1 3.38Å; S37-H104 VanDerWaalsContact CB-NE2 3.33Å; S37-H104 WeakPolarHBondContact CB-NE2 3.49Å; S37-H104 PolarHBondContact OG-CE1 2.77Å; S37-H104 PolarHBondContact OG-NE2 2.78Å; Y39-H104 PolarHBondContact O-CE1 2.85Å; Y39-H104 PolarHBondContact O-NE2 2.97Å; D100-H104 PolarHBondContact O-CD2 3Å; D100-H104 PolarHBondContact O-N 2.89Å; D100-H104 IonicContact OD2-CD2 3.99Å; D100-H104 PolarHBondContact OD2-CD2 3.14Å; D100-H104 IonicContact OD2-NE2 2.75Å; D100-H104 PolarHBondContact OD2-NE2 2.72Å; Y101-H104 PolarHBondContact O-N 2.78Å; H104-R108 WeakPolarHBondContact O-CB 3.19Å; H104-R108 PolarHBondContact O-N 2.9Å |
| 105 | K | 82.1 | Confident | 82 | Confident | 131 Ų | 131 | 68.6 Ų | 68.6 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.9 | -45.8 | 176.2 | -172.9 | -177.3 | 177.3 | -172.9 | 0 | 111.3 | Y101 F102 R103 R108 Q109 | Y101-K105 PolarHBondContact O-N 2.87Å; F102-K105 PolarHBondContact O-N 3.48Å; R103-K105 VanDerWaalsContact C-N 3.31Å; R103-K105 PolarHBondContact O-N 2.83Å; K105-R108 PolarHBondContact O-N 2.82Å; K105-Q109 PolarHBondContact O-N 2.85Å |
| 106 | S | 73.1 | Confident | 82.6 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -50 | 177.5 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | F102 R103 R108 Q109 V110 | F102-S106 PolarHBondContact O-N 2.99Å; F102-S106 VanDerWaalsContact O-N 3.08Å; R103-S106 PolarHBondContact O-N 2.86Å; S106-R108 VanDerWaalsContact C-N 3.26Å; S106-R108 PolarHBondContact O-N 3.35Å; S106-Q109 WeakPolarHBondContact O-CB 3.18Å; S106-Q109 PolarHBondContact O-N 3.47Å; S106-V110 PolarHBondContact O-N 2.95Å; S106-V110 VanDerWaalsContact O-N 3.14Å |
| 107 | D | 81.9 | Confident | 83.3 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.6 | -42.9 | 176.5 | -76 | -12.4 | 0 | 0 | 0 | 110.9 | T36 S37 R103 Q109 V110 N111 | T36-D107 WeakPolarHBondContact CB-OD1 3.42Å; T36-D107 WeakPolarHBondContact CG2-OD1 3.47Å; T36-D107 PolarHBondContact N-OD1 2.87Å; T36-D107 PolarHBondContact N-OD2 2.75Å; T36-D107 PolarHBondContact OG1-OD1 2.92Å; T36-D107 PolarHBondContact OG1-OD2 3.18Å; S37-D107 PolarHBondContact N-OD2 3.48Å; S37-D107 VanDerWaalsContact N-OD2 3.16Å; R103-D107 WeakPolarHBondContact O-CB 3.41Å; R103-D107 PolarHBondContact O-N 2.73Å; D107-Q109 VanDerWaalsContact C-N 3.33Å; D107-Q109 PolarHBondContact O-N 3.38Å; D107-V110 PolarHBondContact O-N 3.4Å; D107-N111 VanDerWaalsContact O-CB 3.27Å; D107-N111 WeakPolarHBondContact O-CB 3.48Å; D107-N111 VanDerWaalsContact O-CG 3.25Å; D107-N111 PolarHBondContact O-N 3Å; D107-N111 PolarHBondContact O-ND2 2.7Å; D107-N111 VanDerWaalsContact O-ND2 3.14Å |
| 108 | R | 86.2 | Confident | 83.6 | Confident | 181 Ų | 181 | 66 Ų | 66 | 68% | 0.683 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.7 | -36.6 | 178.5 | -171.4 | 174.6 | -178.7 | 174.3 | 0.6 | 112 | H104 K105 S106 N112 | H104-R108 WeakPolarHBondContact O-CB 3.19Å; H104-R108 PolarHBondContact O-N 2.9Å; K105-R108 PolarHBondContact O-N 2.82Å; S106-R108 VanDerWaalsContact C-N 3.26Å; S106-R108 PolarHBondContact O-N 3.35Å; R108-N112 WeakPolarHBondContact CG-ND2 3.21Å; R108-N112 VanDerWaalsContact O-CB 3.3Å; R108-N112 WeakPolarHBondContact O-CB 3.4Å; R108-N112 PolarHBondContact O-N 3.26Å; R108-N112 VanDerWaalsContact O-N 3.16Å; R108-N112 PolarHBondContact O-ND2 2.83Å |
| 109 | Q | 84.3 | Confident | 83.8 | Confident | 132 Ų | 132 | 64.2 Ų | 64.2 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.4 | -44.9 | 177.2 | -173.5 | 177.8 | -4.5 | 0 | 0 | 111.2 | K105 S106 D107 | K105-Q109 PolarHBondContact O-N 2.85Å; S106-Q109 WeakPolarHBondContact O-CB 3.18Å; S106-Q109 PolarHBondContact O-N 3.47Å; D107-Q109 VanDerWaalsContact C-N 3.33Å; D107-Q109 PolarHBondContact O-N 3.38Å |
| 110 | V | 82.1 | Confident | 84.1 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.2 | -47.2 | 179 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | I34 S106 D107 N112 R113 W128 | I34-V110 HydrophobicContact CD1-CG1 4.49Å; S106-V110 PolarHBondContact O-N 2.95Å; S106-V110 VanDerWaalsContact O-N 3.14Å; D107-V110 PolarHBondContact O-N 3.4Å; V110-N112 VanDerWaalsContact C-N 3.29Å; V110-N112 PolarHBondContact O-N 2.9Å; V110-R113 WeakPolarHBondContact O-CB 3.16Å; V110-R113 PolarHBondContact O-N 3.23Å; V110-W128 HydrophobicContact CG1-CE3 4.03Å; V110-W128 HydrophobicContact CG1-CZ3 4.15Å |
| 111 | N | 88.6 | Confident | 83.9 | Confident | 9 Ų | 9 | 74.2 Ų | 74.2 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68 | -25.9 | -176 | -72.7 | -31.9 | 0 | 0 | 0 | 113.6 | H33 I34 D107 W128 M129 | H33-N111 PolarHBondContact NE2-ND2 3.28Å; I34-N111 PolarHBondContact N-OD1 3.02Å; I34-N111 PolarHBondContact O-ND2 3.34Å; D107-N111 VanDerWaalsContact O-CB 3.27Å; D107-N111 WeakPolarHBondContact O-CB 3.48Å; D107-N111 VanDerWaalsContact O-CG 3.25Å; D107-N111 PolarHBondContact O-N 3Å; D107-N111 PolarHBondContact O-ND2 2.7Å; D107-N111 VanDerWaalsContact O-ND2 3.14Å; N111-W128 PolarHBondContact O-N 3.23Å; N111-M129 HydrophobicContact CB-CB 4.2Å; N111-M129 PolarHBondContact O-N 3.34Å |
| 112 | N | 90.1 | Very high | 84 | Confident | 55 Ų | 55 | 69.3 Ų | 69.3 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 1.1 | 177.5 | -71.8 | -61.9 | 0 | 0 | 0 | 114.3 | R108 V110 K127 | R108-N112 WeakPolarHBondContact CG-ND2 3.21Å; R108-N112 VanDerWaalsContact O-CB 3.3Å; R108-N112 WeakPolarHBondContact O-CB 3.4Å; R108-N112 PolarHBondContact O-N 3.26Å; R108-N112 VanDerWaalsContact O-N 3.16Å; R108-N112 PolarHBondContact O-ND2 2.83Å; V110-N112 VanDerWaalsContact C-N 3.29Å; V110-N112 PolarHBondContact O-N 2.9Å; N112-K127 WeakPolarHBondContact OD1-CD 3.39Å; N112-K127 WeakPolarHBondContact OD1-CE 3.3Å; N112-K127 PolarHBondContact OD1-NZ 3.47Å |
| 113 | R | 88 | Confident | 84.6 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 29% | 0.291 | 31% | 0.31 | S | S | . | . | trans | -56.8 | 145.1 | 170 | -70.5 | -176.4 | -178.1 | -174.3 | 0.3 | 109.6 | V110 K127 W128 | V110-R113 WeakPolarHBondContact O-CB 3.16Å; V110-R113 PolarHBondContact O-N 3.23Å; R113-K127 CarbonylContact O-C 3.48Å; R113-K127 WeakPolarHBondContact O-CA 3.44Å; R113-W128 VanDerWaalsContact C-CD1 3.49Å; R113-W128 HydrophobicContact CB-CD2 3.63Å; R113-W128 HydrophobicContact CB-CE3 4.23Å; R113-W128 HydrophobicContact CB-CG 3.75Å; R113-W128 HydrophobicContact CB-CZ2 4.25Å; R113-W128 HydrophobicContact CG-CD2 4.48Å; R113-W128 PolarHBondContact O-N 3.33Å | ||
| 114 | Q | 90.5 | Very high | 85.4 | Confident | 119 Ų | 119 | 65.9 Ų | 65.9 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 145.7 | -176.1 | -65.1 | -171.7 | -9.4 | 0 | 0 | 111.3 | E126 W128 Q143 | Q114-E126 CarbonylContact C-O 3.53Å; Q114-E126 WeakPolarHBondContact CA-O 3.4Å; Q114-W128 PolarHBondContact O-NE1 3.4Å; Q114-Q143 PolarHBondContact O-NE2 3.14Å; Q114-Q143 VanDerWaalsContact O-NE2 3.08Å |
| 115 | S | 90.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.3 | 171.2 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | E126 | S115-E126 PolarHBondContact N-O 3.46Å; S115-E126 PolarHBondContact O-N 2.92Å; S115-E126 VanDerWaalsContact O-O 3.14Å |
| 116 | Q | 92.6 | Very high | 86.3 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 119 | 176.9 | -63.7 | -179.3 | 10.7 | 0 | 0 | 108.6 | L123 Q124 K125 I137 K138 E140 | Q116-L123 HydrophobicContact CB-CD2 4.22Å; Q116-Q124 WeakPolarHBondContact CA-O 3.36Å; Q116-K125 HydrophobicContact CG-CG 4.4Å; Q116-I137 CarbonylContact O-C 3.54Å; Q116-I137 VanDerWaalsContact O-CA 3.28Å; Q116-I137 WeakPolarHBondContact O-CA 3.34Å; Q116-K138 HydrophobicContact CB-CB 4.11Å; Q116-K138 PolarHBondContact O-N 2.91Å; Q116-E140 PolarHBondContact NE2-OE1 3.45Å |
| 117 | V | 92.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.5 | -178.1 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | I119 Q124 E126 V131 D135 I137 | V117-I119 HydrophobicContact CB-CD1 4.38Å; V117-I119 HydrophobicContact CB-CG1 4.28Å; V117-I119 HydrophobicContact CG1-CD1 4.2Å; V117-I119 HydrophobicContact CG1-CG1 3.86Å; V117-I119 PolarHBondContact O-N 3.49Å; V117-Q124 PolarHBondContact N-O 3.19Å; V117-Q124 PolarHBondContact O-N 2.88Å; V117-E126 HydrophobicContact CB-CB 4.47Å; V117-E126 HydrophobicContact CB-CG 4.47Å; V117-E126 HydrophobicContact CG2-CB 3.81Å; V117-E126 HydrophobicContact CG2-CG 4.31Å; V117-V131 HydrophobicContact CG2-CG2 4.11Å; V117-D135 HydrophobicContact CG1-CB 3.87Å; V117-I137 HydrophobicContact CG2-CG2 4.03Å |
| 118 | L | 89.4 | Confident | 87.7 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 107.5 | 174.9 | -175.2 | 65.2 | 0 | 0 | 0 | 109.5 | I136 I189 L192 M193 | L118-I136 HydrophobicContact CB-CB 4.17Å; L118-I136 HydrophobicContact CB-CG2 4.47Å; L118-I136 HydrophobicContact CD2-CB 4.43Å; L118-I136 HydrophobicContact CD2-CD1 4.35Å; L118-I136 HydrophobicContact CD2-CG2 4.48Å; L118-I136 PolarHBondContact N-O 3.48Å; L118-I189 HydrophobicContact CD1-CG2 3.81Å; L118-L192 HydrophobicContact CD2-CB 3.89Å; L118-M193 HydrophobicContact CD2-SD 4.49Å; L118-M193 HydrophobicContact CG-SD 4.5Å |
| 119 | I | 84.1 | Confident | 88 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.7 | 178.9 | -56.8 | 177.8 | 0 | 0 | 0 | 108.6 | V117 G121 S122 E126 | V117-I119 HydrophobicContact CB-CD1 4.38Å; V117-I119 HydrophobicContact CB-CG1 4.28Å; V117-I119 HydrophobicContact CG1-CD1 4.2Å; V117-I119 HydrophobicContact CG1-CG1 3.86Å; V117-I119 PolarHBondContact O-N 3.49Å; I119-G121 VanDerWaalsContact C-N 3.3Å; I119-G121 PolarHBondContact O-N 3.46Å; I119-S122 PolarHBondContact N-O 3.05Å; I119-S122 PolarHBondContact O-N 3.43Å; I119-S122 VanDerWaalsContact O-N 3.08Å; I119-S122 VanDerWaalsContact O-O 3.09Å; I119-S122 PolarHBondContact O-OG 2.87Å; I119-E126 HydrophobicContact CD1-CG 4.18Å |
| 120 | R | 76.5 | Confident | 88.3 | Confident | 233 Ų | 233 | 59.1 Ų | 59.1 | 88% | 0.879 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 43.8 | 173.7 | -61.7 | 177.2 | 178.6 | -178.6 | -1.1 | 113.7 | ||
| 121 | G | 75.1 | Confident | 88.7 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 5.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I119 M193 | I119-G121 VanDerWaalsContact C-N 3.3Å; I119-G121 PolarHBondContact O-N 3.46Å; G121-M193 WeakPolarHBondContact CA-SD 3.37Å; G121-M193 PolarHBondContact N-SD 2.9Å |
| 122 | S | 84.8 | Confident | 88.9 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 141.8 | 179.3 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | I119 Q124 | I119-S122 PolarHBondContact N-O 3.05Å; I119-S122 PolarHBondContact O-N 3.43Å; I119-S122 VanDerWaalsContact O-N 3.08Å; I119-S122 VanDerWaalsContact O-O 3.09Å; I119-S122 PolarHBondContact O-OG 2.87Å; S122-Q124 PolarHBondContact O-N 2.78Å; S122-Q124 PolarHBondContact OG-NE2 2.7Å |
| 123 | L | 88.2 | Confident | 89 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 28% | 0.277 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 111.9 | 169 | -78.9 | 164.2 | 0 | 0 | 0 | 108.8 | Q116 K138 I189 F243 | Q116-L123 HydrophobicContact CB-CD2 4.22Å; L123-K138 HydrophobicContact CD1-CD 3.75Å; L123-K138 HydrophobicContact CD2-CB 3.82Å; L123-K138 HydrophobicContact CD2-CD 4.38Å; L123-I189 HydrophobicContact CD1-CD1 3.93Å; L123-F243 HydrophobicContact CD1-CE1 4.48Å; L123-F243 HydrophobicContact CD2-CE1 4.22Å |
| 124 | Q | 90.6 | Very high | 89.1 | Confident | 78 Ų | 78 | 56 Ų | 56 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.5 | 179.2 | -61.8 | -173.8 | 11.8 | 0 | 0 | 109.9 | Q116 V117 S122 E126 | Q116-Q124 WeakPolarHBondContact CA-O 3.36Å; V117-Q124 PolarHBondContact N-O 3.19Å; V117-Q124 PolarHBondContact O-N 2.88Å; S122-Q124 PolarHBondContact O-N 2.78Å; S122-Q124 PolarHBondContact OG-NE2 2.7Å; Q124-E126 PolarHBondContact O-N 3.28Å |
| 125 | K | 91.3 | Very high | 89.2 | Confident | 148 Ų | 148 | 50.5 Ų | 50.5 | 64% | 0.643 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 111.4 | 173.1 | -71 | -174.3 | 178.6 | -175.4 | 0 | 108.9 | Q116 | Q116-K125 HydrophobicContact CG-CG 4.4Å |
| 126 | E | 92.2 | Very high | 89.3 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 156.5 | 178.6 | -81.9 | -67.4 | 170.4 | 0 | 0 | 111.4 | Q114 S115 V117 I119 Q124 N130 | Q114-E126 CarbonylContact C-O 3.53Å; Q114-E126 WeakPolarHBondContact CA-O 3.4Å; S115-E126 PolarHBondContact N-O 3.46Å; S115-E126 PolarHBondContact O-N 2.92Å; S115-E126 VanDerWaalsContact O-O 3.14Å; V117-E126 HydrophobicContact CB-CB 4.47Å; V117-E126 HydrophobicContact CB-CG 4.47Å; V117-E126 HydrophobicContact CG2-CB 3.81Å; V117-E126 HydrophobicContact CG2-CG 4.31Å; I119-E126 HydrophobicContact CD1-CG 4.18Å; Q124-E126 PolarHBondContact O-N 3.28Å; E126-N130 WeakPolarHBondContact OE2-CB 3.42Å; E126-N130 PolarHBondContact OE2-ND2 3.22Å |
| 127 | K | 92.9 | Very high | 89.3 | Confident | 91 Ų | 91 | 49.1 Ų | 49.1 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 149.6 | 173.1 | -65.6 | 179.6 | 177.8 | -169.3 | 0 | 109.9 | N112 R113 M129 N130 | N112-K127 WeakPolarHBondContact OD1-CD 3.39Å; N112-K127 WeakPolarHBondContact OD1-CE 3.3Å; N112-K127 PolarHBondContact OD1-NZ 3.47Å; R113-K127 CarbonylContact O-C 3.48Å; R113-K127 WeakPolarHBondContact O-CA 3.44Å; K127-M129 HydrophobicContact CB-CG 3.98Å; K127-M129 PolarHBondContact O-N 2.94Å; K127-M129 VanDerWaalsContact O-N 3.14Å; K127-N130 WeakPolarHBondContact O-CB 3.42Å; K127-N130 PolarHBondContact O-N 3.27Å |
| 128 | W | 92.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 51 Ų | 51 | 3% | 0.034 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -52.6 | -39.5 | 177.5 | -83 | 22.8 | 0 | 0 | 0 | 112.9 | N32 V110 N111 R113 Q114 N130 V131 F144 A146 | N32-W128 WeakPolarHBondContact CB-O 3.46Å; N32-W128 PolarHBondContact ND2-O 2.78Å; V110-W128 HydrophobicContact CG1-CE3 4.03Å; V110-W128 HydrophobicContact CG1-CZ3 4.15Å; N111-W128 PolarHBondContact O-N 3.23Å; R113-W128 VanDerWaalsContact C-CD1 3.49Å; R113-W128 HydrophobicContact CB-CD2 3.63Å; R113-W128 HydrophobicContact CB-CE3 4.23Å; R113-W128 HydrophobicContact CB-CG 3.75Å; R113-W128 HydrophobicContact CB-CZ2 4.25Å; R113-W128 HydrophobicContact CG-CD2 4.48Å; R113-W128 PolarHBondContact O-N 3.33Å; Q114-W128 PolarHBondContact O-NE1 3.4Å; W128-N130 PolarHBondContact O-N 3.25Å; W128-V131 PolarHBondContact O-N 3.19Å; W128-F144 HydrophobicContact CH2-CB 3.75Å; W128-F144 HydrophobicContact CZ2-CB 3.72Å; W128-A146 HydrophobicContact CD2-CB 3.92Å; W128-A146 HydrophobicContact CG-CB 4.05Å; W128-A146 HydrophobicContact CZ2-CB 4.09Å |
| 129 | M | 91.1 | Very high | 89.5 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 34% | 0.335 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -62.8 | -21.5 | 177.5 | 63.7 | -179.5 | -71.3 | 0 | 0 | 114.8 | H33 N111 K127 | H33-M129 HydrophobicContact CB-CB 4.25Å; N111-M129 HydrophobicContact CB-CB 4.2Å; N111-M129 PolarHBondContact O-N 3.34Å; K127-M129 HydrophobicContact CB-CG 3.98Å; K127-M129 PolarHBondContact O-N 2.94Å; K127-M129 VanDerWaalsContact O-N 3.14Å |
| 130 | N | 91.5 | Very high | 89.9 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -92.8 | -10.7 | -178.4 | -67.5 | -13.5 | 0 | 0 | 0 | 113.1 | E126 K127 W128 | E126-N130 WeakPolarHBondContact OE2-CB 3.42Å; E126-N130 PolarHBondContact OE2-ND2 3.22Å; K127-N130 WeakPolarHBondContact O-CB 3.42Å; K127-N130 PolarHBondContact O-N 3.27Å; W128-N130 PolarHBondContact O-N 3.25Å |
| 131 | V | 91.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -67.7 | 130.9 | 177 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | N32 V117 W128 I137 V246 | N32-V131 HydrophobicContact CB-CB 4.44Å; N32-V131 VanDerWaalsContact CB-O 3.27Å; N32-V131 WeakPolarHBondContact CB-O 3.49Å; V117-V131 HydrophobicContact CG2-CG2 4.11Å; W128-V131 PolarHBondContact O-N 3.19Å; V131-I137 HydrophobicContact CG1-CG2 4.2Å; V131-V246 HydrophobicContact CG1-CG2 3.71Å | ||
| 132 | R | 91.4 | Very high | 91 | Very high | 101 Ų | 101 | 47.8 Ų | 47.8 | 38% | 0.381 | 23% | 0.23 | S | C | . | . | trans | -118.4 | 163.2 | -178.2 | -61.1 | -178.3 | -178.4 | -172.9 | -6.3 | 111.8 | E25 G134 D135 V246 | E25-R132 IonicContact OE1-CZ 3.67Å; E25-R132 IonicContact OE1-NH1 2.79Å; E25-R132 PolarHBondContact OE1-NH1 3.21Å; R132-G134 PolarHBondContact O-N 3.46Å; R132-D135 PolarHBondContact N-OD2 3.24Å; R132-D135 VanDerWaalsContact O-CB 3.31Å; R132-D135 WeakPolarHBondContact O-CB 3.42Å; R132-D135 PolarHBondContact O-N 2.89Å; R132-V246 WeakPolarHBondContact O-CB 3.14Å | ||
| 133 | V | 92.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 130 | 176.6 | 176 | 0 | 0 | 0 | 0 | 110 | R14 V16 N24 Y29 I247 A249 | R14-V133 VanDerWaalsContact NH2-CG2 3.32Å; V16-V133 HydrophobicContact CB-CG1 4.36Å; V16-V133 HydrophobicContact CG1-CG1 3.61Å; V16-V133 HydrophobicContact CG2-CG1 3.76Å; N24-V133 PolarHBondContact ND2-O 3.14Å; Y29-V133 HydrophobicContact CD2-CB 3.94Å; Y29-V133 HydrophobicContact CD2-CG1 3.68Å; Y29-V133 HydrophobicContact CD2-CG2 4.46Å; Y29-V133 HydrophobicContact CE2-CG1 4.08Å; Y29-V133 HydrophobicContact CG-CB 4.33Å; Y29-V133 HydrophobicContact CG-CG1 4.24Å; Y29-V133 HydrophobicContact CG-CG2 4.35Å; V133-I247 WeakPolarHBondContact CG1-O 3.43Å; V133-A249 HydrophobicContact CG2-CB 3.83Å |
| 134 | G | 90.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -0.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S19 R132 V246 | S19-G134 PolarHBondContact N-O 3.25Å; R132-G134 PolarHBondContact O-N 3.46Å; G134-V246 PolarHBondContact N-O 2.88Å |
| 135 | D | 91.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | trans | -68.7 | 141.3 | 169.2 | -73.2 | -14.9 | 0 | 0 | 0 | 110.2 | R21 V117 R132 V246 | R21-D135 IonicContact CZ-OD1 3.13Å; R21-D135 IonicContact CZ-OD2 2.8Å; R21-D135 IonicContact NE-OD1 2.7Å; R21-D135 PolarHBondContact NE-OD1 3.2Å; R21-D135 IonicContact NE-OD2 3.47Å; R21-D135 VanDerWaalsContact NH2-CG 3.35Å; R21-D135 IonicContact NH2-OD1 3.58Å; R21-D135 PolarHBondContact NH2-OD1 3.16Å; R21-D135 IonicContact NH2-OD2 3.54Å; R21-D135 PolarHBondContact NH2-OD2 3.08Å; V117-D135 HydrophobicContact CG1-CB 3.87Å; R132-D135 PolarHBondContact N-OD2 3.24Å; R132-D135 VanDerWaalsContact O-CB 3.31Å; R132-D135 WeakPolarHBondContact O-CB 3.42Å; R132-D135 PolarHBondContact O-N 2.89Å; D135-V246 WeakPolarHBondContact O-CG2 3.25Å; D135-V246 PolarHBondContact O-N 3.39Å | ||
| 136 | I | 92.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124 | 170.8 | -59.5 | 175.5 | 0 | 0 | 0 | 107.9 | S19 L118 L152 F195 F243 G244 | S19-I136 WeakPolarHBondContact OG-CD1 3.38Å; L118-I136 HydrophobicContact CB-CB 4.17Å; L118-I136 HydrophobicContact CB-CG2 4.47Å; L118-I136 HydrophobicContact CD2-CB 4.43Å; L118-I136 HydrophobicContact CD2-CD1 4.35Å; L118-I136 HydrophobicContact CD2-CG2 4.48Å; L118-I136 PolarHBondContact N-O 3.48Å; I136-L152 HydrophobicContact CD1-CD1 4.3Å; I136-L152 HydrophobicContact CG1-CD1 4.39Å; I136-L152 HydrophobicContact CG2-CD1 4.39Å; I136-F195 HydrophobicContact CD1-CD1 4.36Å; I136-F243 HydrophobicContact CG2-CB 4.45Å; I136-F243 HydrophobicContact CG2-CD1 4.22Å; I136-G244 CarbonylContact C-O 3.42Å; I136-G244 WeakPolarHBondContact CA-O 3.41Å |
| 137 | I | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142 | 179.5 | 69.2 | 175.4 | 0 | 0 | 0 | 110.7 | Q116 V117 V131 L139 A146 I149 F243 G244 V246 | Q116-I137 CarbonylContact O-C 3.54Å; Q116-I137 VanDerWaalsContact O-CA 3.28Å; Q116-I137 WeakPolarHBondContact O-CA 3.34Å; V117-I137 HydrophobicContact CG2-CG2 4.03Å; V131-I137 HydrophobicContact CG1-CG2 4.2Å; I137-L139 HydrophobicContact CD1-CD2 4.28Å; I137-A146 HydrophobicContact CD1-CB 4.47Å; I137-I149 HydrophobicContact CD1-CD1 4.08Å; I137-I149 HydrophobicContact CD1-CG2 3.56Å; I137-I149 HydrophobicContact CG1-CD1 4.16Å; I137-I149 HydrophobicContact CG1-CG2 4.04Å; I137-F243 WeakPolarHBondContact O-CA 3.21Å; I137-G244 PolarHBondContact N-O 3.48Å; I137-G244 PolarHBondContact O-N 2.88Å; I137-V246 HydrophobicContact CD1-CG2 4.31Å; I137-V246 HydrophobicContact CG2-CG2 3.96Å |
| 138 | K | 93.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 30.5 Ų | 30.5 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.4 | 169.3 | -175.8 | -178.9 | 171.4 | -162.6 | 0 | 108.8 | Q116 L123 C242 F243 | Q116-K138 HydrophobicContact CB-CB 4.11Å; Q116-K138 PolarHBondContact O-N 2.91Å; L123-K138 HydrophobicContact CD1-CD 3.75Å; L123-K138 HydrophobicContact CD2-CB 3.82Å; L123-K138 HydrophobicContact CD2-CD 4.38Å; K138-C242 WeakPolarHBondContact CA-O 3.46Å; K138-F243 HydrophobicContact CB-CD1 3.87Å; K138-F243 HydrophobicContact CB-CE1 3.71Å; K138-F243 HydrophobicContact CB-CZ 4.4Å; K138-F243 HydrophobicContact CD-CE1 4Å; K138-F243 HydrophobicContact CD-CZ 3.86Å; K138-F243 HydrophobicContact CG-CD1 4.28Å; K138-F243 HydrophobicContact CG-CE1 3.96Å; K138-F243 HydrophobicContact CG-CZ 4.15Å |
| 139 | L | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.7 | 173.7 | -62.5 | 171 | 0 | 0 | 0 | 109 | I137 V145 I149 L230 L236 W241 C242 | I137-L139 HydrophobicContact CD1-CD2 4.28Å; L139-V145 HydrophobicContact CD1-CG2 3.8Å; L139-I149 HydrophobicContact CD1-CD1 3.44Å; L139-I149 VanDerWaalsContact CD1-CD1 3.44Å; L139-I149 HydrophobicContact CG-CD1 4.38Å; L139-L230 HydrophobicContact CD1-CD1 4.43Å; L139-L236 HydrophobicContact CB-CD2 4.11Å; L139-W241 CarbonylContact O-C 3.58Å; L139-W241 WeakPolarHBondContact O-CA 3.43Å; L139-C242 PolarHBondContact N-O 3.14Å; L139-C242 PolarHBondContact O-N 3.42Å |
| 140 | E | 92.5 | Very high | 91.5 | Very high | 84 Ų | 84 | 27 Ų | 27 | 39% | 0.393 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 163.4 | 173.7 | -66.3 | 178 | 170.1 | 0 | 0 | 110.7 | Q116 N142 Q143 | Q116-E140 PolarHBondContact NE2-OE1 3.45Å; E140-N142 PolarHBondContact O-N 2.88Å; E140-Q143 WeakPolarHBondContact O-CB 3.27Å; E140-Q143 PolarHBondContact O-N 3.37Å; E140-Q143 VanDerWaalsContact O-N 3.1Å |
| 141 | N | 88.1 | Confident | 91.6 | Very high | 67 Ų | 67 | 23.9 Ų | 23.9 | 36% | 0.358 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 138 | 176.8 | -164.2 | 16.7 | 0 | 0 | 0 | 111.8 | Q143 R237 N238 T239 E240 | N141-Q143 VanDerWaalsContact C-N 3.25Å; N141-Q143 PolarHBondContact O-N 3.34Å; N141-R237 WeakPolarHBondContact OD1-CA 3.33Å; N141-N238 PolarHBondContact OD1-N 3.35Å; N141-T239 WeakPolarHBondContact CA-O 3.35Å; N141-T239 VanDerWaalsContact CB-O 3.22Å; N141-T239 WeakPolarHBondContact CB-O 3.34Å; N141-E240 PolarHBondContact N-O 3.23Å; N141-E240 VanDerWaalsContact N-O 3.17Å |
| 142 | N | 85.1 | Confident | 91.7 | Very high | 87 Ų | 87 | 23.9 Ų | 23.9 | 47% | 0.465 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 17 | -175.4 | -50 | -53.2 | 0 | 0 | 0 | 115.4 | E140 L236 R237 | E140-N142 PolarHBondContact O-N 2.88Å; N142-L236 WeakPolarHBondContact CA-O 3.4Å; N142-L236 PolarHBondContact N-O 3.22Å; N142-R237 WeakPolarHBondContact OD1-CD 3.42Å; N142-R237 PolarHBondContact OD1-NH1 2.83Å |
| 143 | Q | 88.6 | Confident | 91.6 | Very high | 39 Ų | 39 | 19.1 Ų | 19.1 | 18% | 0.182 | 9% | 0.094 | C | C | . | . | P | Polyproline II helix | trans | -94.3 | 141.8 | 176.4 | -164 | 176.2 | 4.9 | 0 | 0 | 112 | Q114 E140 N141 L236 | Q114-Q143 PolarHBondContact O-NE2 3.14Å; Q114-Q143 VanDerWaalsContact O-NE2 3.08Å; E140-Q143 WeakPolarHBondContact O-CB 3.27Å; E140-Q143 PolarHBondContact O-N 3.37Å; E140-Q143 VanDerWaalsContact O-N 3.1Å; N141-Q143 VanDerWaalsContact C-N 3.25Å; N141-Q143 PolarHBondContact O-N 3.34Å; Q143-L236 PolarHBondContact O-N 3.11Å |
| 144 | F | 88.4 | Confident | 91.5 | Very high | 62 Ų | 62 | 19.1 Ų | 19.1 | 27% | 0.272 | 10% | 0.095 | S | C | . | . | B | Isolated β-bridge | trans | -71.9 | 139.4 | 171.7 | -74 | -86.5 | 0 | 0 | 0 | 111.9 | W128 A146 E167 C234 V235 | W128-F144 HydrophobicContact CH2-CB 3.75Å; W128-F144 HydrophobicContact CZ2-CB 3.72Å; F144-A146 PolarHBondContact O-N 3.18Å; F144-E167 HydrophobicContact CE1-CG 4.27Å; F144-C234 WeakPolarHBondContact CA-O 3.47Å; F144-V235 HydrophobicContact CD1-CG2 3.5Å; F144-V235 VanDerWaalsContact CD1-CG2 3.5Å; F144-V235 HydrophobicContact CD2-CG2 4.48Å; F144-V235 HydrophobicContact CE1-CG2 3.3Å; F144-V235 HydrophobicContact CE2-CG2 4.32Å; F144-V235 HydrophobicContact CG-CG2 4.1Å; F144-V235 HydrophobicContact CZ-CG2 3.75Å |
| 145 | V | 91.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 121.9 | 171.9 | 179 | 0 | 0 | 0 | 0 | 109.9 | L139 A147 I149 L230 L231 C234 | L139-V145 HydrophobicContact CD1-CG2 3.8Å; V145-A147 WeakPolarHBondContact CG1-O 3.32Å; V145-I149 HydrophobicContact CG1-CD1 4.16Å; V145-I149 HydrophobicContact CG1-CG1 4.1Å; V145-L230 HydrophobicContact CG1-CB 4.41Å; V145-L230 HydrophobicContact CG2-CB 4.22Å; V145-L231 WeakPolarHBondContact CB-O 3.34Å; V145-L231 WeakPolarHBondContact CG1-O 3.3Å; V145-C234 HydrophobicContact CB-CB 4.39Å; V145-C234 HydrophobicContact CG2-CB 3.84Å; V145-C234 WeakPolarHBondContact CG2-O 3.03Å; V145-C234 PolarHBondContact N-O 3.04Å |
| 146 | A | 89.9 | Confident | 90.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -76.1 | -26.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | N32 W128 I137 F144 R232 | N32-A146 PolarHBondContact ND2-O 3.17Å; W128-A146 HydrophobicContact CD2-CB 3.92Å; W128-A146 HydrophobicContact CG-CB 4.05Å; W128-A146 HydrophobicContact CZ2-CB 4.09Å; I137-A146 HydrophobicContact CD1-CB 4.47Å; F144-A146 PolarHBondContact O-N 3.18Å; A146-R232 PolarHBondContact O-NH1 3.29Å | ||
| 147 | A | 93.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -160.4 | 166.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V145 I149 V246 F248 | V145-A147 WeakPolarHBondContact CG1-O 3.32Å; A147-I149 VanDerWaalsContact O-CG2 3.3Å; A147-I149 WeakPolarHBondContact O-CG2 3.38Å; A147-I149 PolarHBondContact O-N 3.4Å; A147-I149 VanDerWaalsContact O-N 3.16Å; A147-V246 HydrophobicContact CB-CG1 3.75Å; A147-V246 HydrophobicContact CB-CG2 4.41Å; A147-F248 WeakPolarHBondContact CB-O 3.37Å |
| 148 | D | 94.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 115.9 | 177.6 | -59.8 | -19.6 | 0 | 0 | 0 | 108.6 | L230 L231 R232 I247 F248 T253 K254 | D148-L230 CarbonylContact C-O 3.49Å; D148-L230 WeakPolarHBondContact CA-O 3.48Å; D148-L231 HydrophobicContact CB-CD2 4.41Å; D148-L231 WeakPolarHBondContact OD1-CA 3.46Å; D148-R232 PolarHBondContact OD1-N 3.3Å; D148-I247 PolarHBondContact O-N 3.4Å; D148-F248 HydrophobicContact CB-CB 4Å; D148-F248 HydrophobicContact CB-CD2 4Å; D148-F248 HydrophobicContact CB-CG 4.49Å; D148-F248 PolarHBondContact N-O 2.94Å; D148-F248 PolarHBondContact O-N 2.8Å; D148-T253 VanDerWaalsContact OD2-CA 3.24Å; D148-T253 WeakPolarHBondContact OD2-CA 3.45Å; D148-K254 PolarHBondContact OD2-N 3.25Å |
| 149 | I | 94.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.2 | -172 | 66 | 175.3 | 0 | 0 | 0 | 112.2 | I137 L139 V145 A147 L229 L230 M245 V246 | I137-I149 HydrophobicContact CD1-CD1 4.08Å; I137-I149 HydrophobicContact CD1-CG2 3.56Å; I137-I149 HydrophobicContact CG1-CD1 4.16Å; I137-I149 HydrophobicContact CG1-CG2 4.04Å; L139-I149 HydrophobicContact CD1-CD1 3.44Å; L139-I149 VanDerWaalsContact CD1-CD1 3.44Å; L139-I149 HydrophobicContact CG-CD1 4.38Å; V145-I149 HydrophobicContact CG1-CD1 4.16Å; V145-I149 HydrophobicContact CG1-CG1 4.1Å; A147-I149 VanDerWaalsContact O-CG2 3.3Å; A147-I149 WeakPolarHBondContact O-CG2 3.38Å; A147-I149 PolarHBondContact O-N 3.4Å; A147-I149 VanDerWaalsContact O-N 3.16Å; I149-L229 CarbonylContact O-C 3.4Å; I149-L229 WeakPolarHBondContact O-CA 3.33Å; I149-L229 WeakPolarHBondContact O-CD1 3.41Å; I149-L230 HydrophobicContact CD1-CB 4.19Å; I149-L230 HydrophobicContact CD1-CD1 4.04Å; I149-L230 HydrophobicContact CD1-CG 4.45Å; I149-L230 HydrophobicContact CG1-CB 3.68Å; I149-L230 HydrophobicContact CG1-CD1 4.34Å; I149-L230 HydrophobicContact CG1-CG 4.2Å; I149-L230 PolarHBondContact N-O 3.22Å; I149-L230 PolarHBondContact O-N 2.83Å; I149-M245 CarbonylContact C-O 3.59Å; I149-M245 VanDerWaalsContact CA-O 3.23Å; I149-M245 WeakPolarHBondContact CA-O 3.46Å; I149-V246 HydrophobicContact CG2-CB 4.39Å; I149-V246 HydrophobicContact CG2-CG2 3.81Å |
| 150 | L | 94.6 | Very high | 87.7 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 123.5 | 168.7 | 176.1 | 67.6 | 0 | 0 | 0 | 109.3 | L152 V199 L224 K228 G244 M245 I247 | L150-L152 HydrophobicContact CD2-CD2 4.41Å; L150-L152 PolarHBondContact O-N 3.22Å; L150-V199 HydrophobicContact CD2-CG2 3.78Å; L150-L224 HydrophobicContact CD1-CD1 4.03Å; L150-L224 HydrophobicContact CD1-CD2 3.78Å; L150-L224 HydrophobicContact CD1-CG 4.43Å; L150-L224 HydrophobicContact CD2-CD1 3.92Å; L150-L224 HydrophobicContact CD2-CD2 4.38Å; L150-K228 HydrophobicContact CD1-CB 4.02Å; L150-G244 CarbonylContact O-C 3.3Å; L150-G244 WeakPolarHBondContact O-CA 3Å; L150-M245 PolarHBondContact N-O 3.37Å; L150-M245 PolarHBondContact O-N 3.27Å; L150-I247 HydrophobicContact CB-CD1 4.19Å; L150-I247 HydrophobicContact CB-CG1 3.99Å |
| 151 | L | 93.9 | Very high | 87.4 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 121.5 | 177.7 | -179.4 | 65.4 | 0 | 0 | 0 | 110.4 | C161 R177 A179 K228 L230 C242 | L151-C161 VanDerWaalsContact CD2-SG 3.54Å; L151-R177 HydrophobicContact CD2-CB 4.21Å; L151-A179 HydrophobicContact CD2-CB 4.13Å; L151-A179 HydrophobicContact CG-CB 3.96Å; L151-K228 WeakPolarHBondContact CB-O 3.27Å; L151-K228 PolarHBondContact N-O 3.2Å; L151-L230 HydrophobicContact CB-CG 4.49Å; L151-L230 HydrophobicContact CD1-CD1 4.26Å; L151-C242 HydrophobicContact CD1-CB 3.85Å |
| 152 | L | 91.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -51.8 | -179.8 | -63.6 | 178.4 | 0 | 0 | 0 | 111.7 | I136 L150 A179 T183 S184 L192 F195 F243 M245 | I136-L152 HydrophobicContact CD1-CD1 4.3Å; I136-L152 HydrophobicContact CG1-CD1 4.39Å; I136-L152 HydrophobicContact CG2-CD1 4.39Å; L150-L152 HydrophobicContact CD2-CD2 4.41Å; L150-L152 PolarHBondContact O-N 3.22Å; L152-A179 WeakPolarHBondContact O-CB 3.33Å; L152-T183 HydrophobicContact CD2-CG2 4.49Å; L152-T183 CarbonylContact O-C 3.57Å; L152-T183 VanDerWaalsContact O-CB 3.22Å; L152-T183 WeakPolarHBondContact O-CB 3.42Å; L152-T183 VanDerWaalsContact O-O 3.09Å; L152-T183 PolarHBondContact O-OG1 3.08Å; L152-S184 PolarHBondContact O-N 3.18Å; L152-L192 HydrophobicContact CD1-CD2 4.22Å; L152-F195 HydrophobicContact CD1-CD1 4.43Å; L152-F195 HydrophobicContact CD1-CE1 4.24Å; L152-F195 HydrophobicContact CD2-CE1 4.06Å; L152-F195 HydrophobicContact CD2-CZ 4.04Å; L152-F243 PolarHBondContact N-O 3.11Å; L152-M245 HydrophobicContact CD1-CB 4.16Å; L152-M245 HydrophobicContact CG-CB 4.44Å |
| 153 | C | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 161.2 | 178.8 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | L186 C242 F243 | C153-L186 PolarHBondContact SG-O 2.82Å; C153-L186 VanDerWaalsContact SG-O 3.42Å; C153-C242 WeakPolarHBondContact O-CA 3.42Å; C153-F243 PolarHBondContact N-O 3.09Å; C153-F243 PolarHBondContact O-N 3.44Å; C153-F243 WeakPolarHBondContact SG-CD2 2.94Å |
| 154 | S | 90.4 | Very high | 87.1 | Confident | 9 Ų | 9 | 19.3 Ų | 19.3 | 6% | 0.063 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 160.5 | -176.3 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | E156 L160 T239 | S154-E156 VanDerWaalsContact C-N 3.26Å; S154-E156 PolarHBondContact O-N 2.92Å; S154-L160 WeakPolarHBondContact CB-O 3.49Å; S154-L160 PolarHBondContact OG-O 3.07Å; S154-T239 WeakPolarHBondContact OG-CG2 3.47Å |
| 155 | S | 86.9 | Confident | 86.5 | Confident | 35 Ų | 35 | 16.6 Ų | 16.6 | 25% | 0.245 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -65.6 | -29.6 | 172.8 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | T239 E240 W241 | S155-T239 WeakPolarHBondContact OG-CG2 3.33Å; S155-E240 PolarHBondContact OG-N 3.31Å; S155-E240 VanDerWaalsContact OG-N 3.1Å; S155-W241 PolarHBondContact N-O 3Å; S155-W241 PolarHBondContact OG-N 2.98Å; S155-W241 PolarHBondContact OG-O 3.15Å |
| 156 | E | 82.8 | Confident | 85.3 | Confident | 31 Ų | 31 | 17 Ų | 17 | 15% | 0.145 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -77.9 | 148.6 | -177.7 | -53.7 | -53.2 | 129.4 | 0 | 0 | 111.8 | S154 G159 L160 T239 | S154-E156 VanDerWaalsContact C-N 3.26Å; S154-E156 PolarHBondContact O-N 2.92Å; E156-G159 PolarHBondContact O-N 3.26Å; E156-G159 VanDerWaalsContact O-N 3.17Å; E156-L160 HydrophobicContact CB-CB 4.29Å; E156-L160 VanDerWaalsContact CB-O 3.31Å; E156-L160 WeakPolarHBondContact CB-O 3.35Å; E156-T239 HydrophobicContact CG-CG2 4.31Å |
| 157 | P | 71.2 | Confident | 84.3 | Confident | 58 Ų | 58 | 18.4 Ų | 18.4 | 38% | 0.377 | 9% | 0.092 | S | C | . | . | G | 310 helix | trans | -54.7 | 147.6 | 176.3 | 22.5 | -33.5 | 0 | 0 | 0 | 111.8 | G159 K1144 | P157-G159 PolarHBondContact O-N 2.77Å; P157-K1144 WeakPolarHBondContact CG-O 3.42Å |
| 158 | Y | 70.5 | Confident | 83.2 | Confident | 129 Ų | 129 | 18.8 Ų | 18.8 | 51% | 0.506 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | 62 | 14.1 | -175.7 | -51 | -84.5 | 0 | 0 | 0 | 115.4 | Q178 K1144 | Y158-Q178 PolarHBondContact O-NE2 2.93Å; Y158-K1144 HydrophobicContact CD1-CD 4.29Å; Y158-K1144 HydrophobicContact CD2-CB 3.49Å; Y158-K1144 VanDerWaalsContact CD2-CB 3.49Å; Y158-K1144 HydrophobicContact CD2-CD 3.98Å; Y158-K1144 HydrophobicContact CD2-CG 3.58Å; Y158-K1144 HydrophobicContact CE1-CD 4.36Å; Y158-K1144 HydrophobicContact CE1-CG 4.39Å; Y158-K1144 HydrophobicContact CE2-CB 3.65Å; Y158-K1144 HydrophobicContact CE2-CD 4.1Å; Y158-K1144 HydrophobicContact CE2-CG 3.38Å; Y158-K1144 HydrophobicContact CG-CB 4.33Å; Y158-K1144 HydrophobicContact CG-CD 4.09Å; Y158-K1144 HydrophobicContact CG-CG 4.2Å |
| 159 | G | 79.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | 72.4 | 29.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E156 P157 A179 S184 | E156-G159 PolarHBondContact O-N 3.26Å; E156-G159 VanDerWaalsContact O-N 3.17Å; P157-G159 PolarHBondContact O-N 2.77Å; G159-A179 WeakPolarHBondContact O-CB 3.19Å; G159-A179 PolarHBondContact O-N 2.77Å; G159-S184 VanDerWaalsContact CA-OG 3.32Å; G159-S184 WeakPolarHBondContact CA-OG 3.4Å; G159-S184 PolarHBondContact N-OG 2.84Å |
| 160 | L | 83.9 | Confident | 80 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 146 | -179.4 | -65.4 | 166.1 | 0 | 0 | 0 | 111 | S154 E156 V176 R177 Q178 L1139 K1144 N1145 | S154-L160 WeakPolarHBondContact CB-O 3.49Å; S154-L160 PolarHBondContact OG-O 3.07Å; E156-L160 HydrophobicContact CB-CB 4.29Å; E156-L160 VanDerWaalsContact CB-O 3.31Å; E156-L160 WeakPolarHBondContact CB-O 3.35Å; L160-V176 HydrophobicContact CD2-CG1 3.67Å; L160-R177 CarbonylContact C-O 3.57Å; L160-R177 WeakPolarHBondContact CA-O 3.5Å; L160-Q178 HydrophobicContact CD2-CB 3.78Å; L160-Q178 HydrophobicContact CD2-CG 3.65Å; L160-Q178 HydrophobicContact CG-CG 4.44Å; L160-L1139 HydrophobicContact CD1-CD2 3.73Å; L160-L1139 HydrophobicContact CD2-CD2 4.32Å; L160-K1144 HydrophobicContact CD1-CB 4.44Å; L160-N1145 WeakPolarHBondContact CD1-OD1 3.43Å |
| 161 | C | 86.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.4 | 167.6 | 71.1 | 0 | 0 | 0 | 0 | 111.1 | L151 V176 R177 L236 T239 | L151-C161 VanDerWaalsContact CD2-SG 3.54Å; C161-V176 WeakPolarHBondContact O-CA 3.47Å; C161-R177 PolarHBondContact N-O 2.99Å; C161-R177 PolarHBondContact O-N 2.82Å; C161-L236 HydrophobicContact CB-CD1 3.98Å; C161-T239 WeakPolarHBondContact CA-OG1 3.12Å; C161-T239 HydrophobicContact CB-CG2 3.95Å |
| 162 | Y | 85.1 | Confident | 76.8 | Confident | 36 Ų | 36 | 25.6 Ų | 25.6 | 14% | 0.141 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.5 | 177.2 | -52.7 | -98.6 | 0 | 0 | 0 | 110 | K175 V176 R237 N238 T239 N1145 | Y162-K175 WeakPolarHBondContact CA-O 3.35Å; Y162-V176 HydrophobicContact CD1-CG2 3.19Å; Y162-V176 HydrophobicContact CE1-CG2 3.07Å; Y162-V176 HydrophobicContact CG-CG2 4.09Å; Y162-R237 WeakPolarHBondContact CB-O 3.49Å; Y162-R237 PolarHBondContact O-N 2.92Å; Y162-N238 HydrophobicContact CD2-CB 3.95Å; Y162-N238 HydrophobicContact CG-CB 4.24Å; Y162-T239 PolarHBondContact N-OG1 2.92Å; Y162-N1145 PolarHBondContact OH-ND2 3.06Å; Y162-N1145 PolarHBondContact OH-OD1 3.31Å |
| 163 | I | 86.4 | Confident | 75.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.1 | 176.9 | 55.9 | 165.8 | 0 | 0 | 0 | 111 | T165 L174 K175 R177 L230 C234 V235 L236 | I163-T165 HydrophobicContact CD1-CG2 3.96Å; I163-T165 HydrophobicContact CG1-CG2 4.34Å; I163-L174 CarbonylContact O-C 3.45Å; I163-L174 WeakPolarHBondContact O-CA 3.39Å; I163-K175 HydrophobicContact CG1-CB 4.08Å; I163-K175 WeakPolarHBondContact CG1-O 3.43Å; I163-K175 PolarHBondContact N-O 3.33Å; I163-K175 PolarHBondContact O-N 2.93Å; I163-R177 HydrophobicContact CD1-CG 3.69Å; I163-R177 HydrophobicContact CG1-CG 3.97Å; I163-L230 HydrophobicContact CD1-CD2 4.23Å; I163-L230 HydrophobicContact CG2-CD1 4.47Å; I163-L230 HydrophobicContact CG2-CD2 3.9Å; I163-C234 HydrophobicContact CB-CB 4.28Å; I163-C234 HydrophobicContact CD1-CB 4.43Å; I163-C234 HydrophobicContact CG2-CB 4.46Å; I163-V235 CarbonylContact C-O 3.53Å; I163-V235 WeakPolarHBondContact CA-O 3.27Å; I163-L236 HydrophobicContact CG2-CD1 4.34Å |
| 164 | E | 82.3 | Confident | 74.7 | Confident | 37 Ų | 37 | 29.7 Ų | 29.7 | 17% | 0.173 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 128.7 | 167.9 | -178.6 | -178.5 | -174.7 | 0 | 0 | 108.4 | A166 L174 C234 V235 R237 | E164-A166 HydrophobicContact CG-CB 4.26Å; E164-L174 HydrophobicContact CB-CD2 4.08Å; E164-C234 VanDerWaalsContact O-CA 3.32Å; E164-C234 WeakPolarHBondContact O-CA 3.4Å; E164-V235 HydrophobicContact CB-CB 4.29Å; E164-V235 PolarHBondContact N-O 2.66Å; E164-V235 PolarHBondContact O-N 3Å; E164-R237 HydrophobicContact CB-CG 3.95Å; E164-R237 IonicContact OE2-CZ 3.7Å; E164-R237 IonicContact OE2-NE 2.88Å; E164-R237 PolarHBondContact OE2-NE 3.45Å; E164-R237 IonicContact OE2-NH2 2.88Å; E164-R237 PolarHBondContact OE2-NH2 3.14Å |
| 165 | T | 76.8 | Confident | 74.1 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | trans | -109.2 | 15.3 | -175 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | I163 E167 L168 D169 E171 K175 | I163-T165 HydrophobicContact CD1-CG2 3.96Å; I163-T165 HydrophobicContact CG1-CG2 4.34Å; T165-E167 VanDerWaalsContact C-N 3.29Å; T165-E167 PolarHBondContact O-N 3.32Å; T165-E167 VanDerWaalsContact O-N 3.11Å; T165-L168 WeakPolarHBondContact O-CA 3.37Å; T165-L168 WeakPolarHBondContact O-CB 3.46Å; T165-L168 PolarHBondContact O-N 3.03Å; T165-D169 VanDerWaalsContact CB-OD1 3.23Å; T165-D169 WeakPolarHBondContact CB-OD1 3.22Å; T165-D169 PolarHBondContact O-N 2.79Å; T165-D169 VanDerWaalsContact OG1-CG 3.31Å; T165-D169 PolarHBondContact OG1-OD1 2.82Å; T165-D169 PolarHBondContact OG1-OD2 3.2Å; T165-E171 CarbonylContact C-O 3.55Å; T165-K175 HydrophobicContact CG2-CD 3.95Å; T165-K175 VanDerWaalsContact OG1-CE 3.27Å; T165-K175 WeakPolarHBondContact OG1-CE 3.42Å | ||
| 166 | A | 67.3 | Low | 73.8 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 7% | 0.074 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -48.6 | -43.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | E164 L168 G170 E171 E834 | E164-A166 HydrophobicContact CG-CB 4.26Å; A166-L168 PolarHBondContact O-N 2.81Å; A166-G170 WeakPolarHBondContact O-CA 3.3Å; A166-G170 PolarHBondContact O-N 3.02Å; A166-E171 WeakPolarHBondContact CA-O 3.22Å; A166-E171 PolarHBondContact N-O 3.46Å; A166-E171 VanDerWaalsContact N-O 3.09Å; A166-E834 CarbonylContact C-O 3.51Å |
| 167 | E | 67.4 | Low | 73.9 | Confident | 28 Ų | 28 | 31.3 Ų | 31.3 | 13% | 0.131 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.4 | -8 | 178 | -67.5 | -160.2 | 146.7 | 0 | 0 | 115.2 | F144 T165 A815 Q837 | F144-E167 HydrophobicContact CE1-CG 4.27Å; T165-E167 VanDerWaalsContact C-N 3.29Å; T165-E167 PolarHBondContact O-N 3.32Å; T165-E167 VanDerWaalsContact O-N 3.11Å; E167-A815 WeakPolarHBondContact O-CB 3.28Å; E167-Q837 HydrophobicContact CB-CG 4.45Å; E167-Q837 HydrophobicContact CG-CG 4.43Å; E167-Q837 PolarHBondContact OE1-NE2 3.12Å |
| 168 | L | 70.4 | Confident | 74.6 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -105.2 | -50.4 | -180 | -77.5 | 140.9 | 0 | 0 | 0 | 111.4 | T165 A166 L208 L231 C234 L255 N816 | T165-L168 WeakPolarHBondContact O-CA 3.37Å; T165-L168 WeakPolarHBondContact O-CB 3.46Å; T165-L168 PolarHBondContact O-N 3.03Å; A166-L168 PolarHBondContact O-N 2.81Å; L168-L208 HydrophobicContact CD2-CD2 3.81Å; L168-L231 HydrophobicContact CD1-CB 3.89Å; L168-L231 HydrophobicContact CD2-CB 4.03Å; L168-L231 HydrophobicContact CD2-CD1 4.08Å; L168-C234 HydrophobicContact CD1-CB 4.35Å; L168-C234 WeakPolarHBondContact CD1-SG 3.31Å; L168-L255 HydrophobicContact CD2-CB 4.08Å; L168-L255 HydrophobicContact CD2-CD1 3.93Å; L168-L255 HydrophobicContact CG-CD1 4.27Å; L168-N816 PolarHBondContact O-OD1 2.66Å |
| 169 | D | 64.7 | Low | 75.5 | Confident | 34 Ų | 34 | 26.5 Ų | 26.5 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -128.4 | 9 | -171.8 | 59.1 | 16.8 | 0 | 0 | 0 | 114.1 | T165 E171 K175 N816 | T165-D169 VanDerWaalsContact CB-OD1 3.23Å; T165-D169 WeakPolarHBondContact CB-OD1 3.22Å; T165-D169 PolarHBondContact O-N 2.79Å; T165-D169 VanDerWaalsContact OG1-CG 3.31Å; T165-D169 PolarHBondContact OG1-OD1 2.82Å; T165-D169 PolarHBondContact OG1-OD2 3.2Å; D169-E171 PolarHBondContact O-N 2.82Å; D169-E171 WeakPolarHBondContact OD1-CB 3.35Å; D169-E171 PolarHBondContact OD1-N 2.97Å; D169-E171 VanDerWaalsContact OD1-N 3.14Å; D169-K175 IonicContact OD2-NZ 3.97Å; D169-K175 PolarHBondContact OD2-NZ 2.94Å; D169-N816 WeakPolarHBondContact CA-OD1 3.29Å; D169-N816 PolarHBondContact O-ND2 2.75Å |
| 170 | G | 57.2 | Low | 75.7 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 70.4 | -6.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | A166 T172 E834 | A166-G170 WeakPolarHBondContact O-CA 3.3Å; A166-G170 PolarHBondContact O-N 3.02Å; G170-T172 PolarHBondContact O-N 3.13Å; G170-E834 VanDerWaalsContact CA-OE2 3.28Å; G170-E834 WeakPolarHBondContact CA-OE2 3.34Å; G170-E834 WeakPolarHBondContact O-CG 3.21Å |
| 171 | E | 65.2 | Low | 75.6 | Confident | 62 Ų | 62 | 31.7 Ų | 31.7 | 29% | 0.29 | 17% | 0.168 | S | C | . | . | trans | -77.5 | 118.6 | -179 | -61.5 | -177.6 | 175.8 | 0 | 0 | 110 | T165 A166 D169 N173 K175 | T165-E171 CarbonylContact C-O 3.55Å; A166-E171 WeakPolarHBondContact CA-O 3.22Å; A166-E171 PolarHBondContact N-O 3.46Å; A166-E171 VanDerWaalsContact N-O 3.09Å; D169-E171 PolarHBondContact O-N 2.82Å; D169-E171 WeakPolarHBondContact OD1-CB 3.35Å; D169-E171 PolarHBondContact OD1-N 2.97Å; D169-E171 VanDerWaalsContact OD1-N 3.14Å; E171-N173 PolarHBondContact O-N 2.7Å; E171-K175 WeakPolarHBondContact OE2-CE 3.39Å; E171-K175 IonicContact OE2-NZ 3.12Å; E171-K175 PolarHBondContact OE2-NZ 2.8Å | ||
| 172 | T | 56.9 | Low | 75.4 | Confident | 48 Ų | 48 | 34 Ų | 34 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | trans | -79.2 | -6.5 | 175.4 | 55 | 0 | 0 | 0 | 0 | 113 | G170 | G170-T172 PolarHBondContact O-N 3.13Š| ||
| 173 | N | 64.9 | Low | 75.4 | Confident | 43 Ų | 43 | 32.3 Ų | 32.3 | 23% | 0.23 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -74.5 | 145.8 | -179.2 | -63.9 | -33.1 | 0 | 0 | 0 | 111 | E171 K175 Q492 | E171-N173 PolarHBondContact O-N 2.7Å; N173-K175 PolarHBondContact O-N 3.27Å; N173-Q492 PolarHBondContact ND2-O 3.34Å; N173-Q492 VanDerWaalsContact ND2-O 3.11Å; N173-Q492 PolarHBondContact OD1-O 2.89Å |
| 174 | L | 71.9 | Confident | 75.1 | Confident | 44 Ų | 44 | 33.5 Ų | 33.5 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 123.5 | 176.7 | -63.1 | 177.8 | 0 | 0 | 0 | 110.7 | I163 E164 R237 N238 Y1136 | I163-L174 CarbonylContact O-C 3.45Å; I163-L174 WeakPolarHBondContact O-CA 3.39Å; E164-L174 HydrophobicContact CB-CD2 4.08Å; L174-R237 HydrophobicContact CD1-CB 4.49Å; L174-R237 HydrophobicContact CD2-CB 3.55Å; L174-R237 HydrophobicContact CD2-CG 3.75Å; L174-N238 WeakPolarHBondContact CD1-ND2 3.44Å; L174-Y1136 PolarHBondContact O-OH 2.81Å |
| 175 | K | 78.2 | Confident | 75 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132.6 | 172.1 | -58.3 | -173.5 | -176.8 | -176 | 0 | 109.4 | Y162 I163 T165 D169 E171 N173 | Y162-K175 WeakPolarHBondContact CA-O 3.35Å; I163-K175 HydrophobicContact CG1-CB 4.08Å; I163-K175 WeakPolarHBondContact CG1-O 3.43Å; I163-K175 PolarHBondContact N-O 3.33Å; I163-K175 PolarHBondContact O-N 2.93Å; T165-K175 HydrophobicContact CG2-CD 3.95Å; T165-K175 VanDerWaalsContact OG1-CE 3.27Å; T165-K175 WeakPolarHBondContact OG1-CE 3.42Å; D169-K175 IonicContact OD2-NZ 3.97Å; D169-K175 PolarHBondContact OD2-NZ 2.94Å; E171-K175 WeakPolarHBondContact OE2-CE 3.39Å; E171-K175 IonicContact OE2-NZ 3.12Å; E171-K175 PolarHBondContact OE2-NZ 2.8Å; N173-K175 PolarHBondContact O-N 3.27Å |
| 176 | V | 80.9 | Confident | 75.2 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 139.5 | 171.8 | 164.3 | 0 | 0 | 0 | 0 | 110.4 | L160 C161 Y162 Y1136 | L160-V176 HydrophobicContact CD2-CG1 3.67Å; C161-V176 WeakPolarHBondContact O-CA 3.47Å; Y162-V176 HydrophobicContact CD1-CG2 3.19Å; Y162-V176 HydrophobicContact CE1-CG2 3.07Å; Y162-V176 HydrophobicContact CG-CG2 4.09Å; V176-Y1136 HydrophobicContact CB-CE1 3.65Å; V176-Y1136 WeakPolarHBondContact CB-OH 3.48Å; V176-Y1136 HydrophobicContact CG1-CE1 4.39Å; V176-Y1136 HydrophobicContact CG2-CE1 3.33Å; V176-Y1136 WeakPolarHBondContact CG2-OH 3.39Å; V176-Y1136 PolarHBondContact N-OH 2.88Å |
| 177 | R | 85.8 | Confident | 75.4 | Confident | 34 Ų | 34 | 38.6 Ų | 38.6 | 13% | 0.128 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.9 | 171.6 | -61.7 | -67.1 | -168.4 | -168.1 | 11.7 | 108 | L151 L160 C161 I163 N226 E227 L230 | L151-R177 HydrophobicContact CD2-CB 4.21Å; L160-R177 CarbonylContact C-O 3.57Å; L160-R177 WeakPolarHBondContact CA-O 3.5Å; C161-R177 PolarHBondContact N-O 2.99Å; C161-R177 PolarHBondContact O-N 2.82Å; I163-R177 HydrophobicContact CD1-CG 3.69Å; I163-R177 HydrophobicContact CG1-CG 3.97Å; R177-N226 PolarHBondContact NH1-O 3.39Å; R177-E227 WeakPolarHBondContact CA-O 3.33Å; R177-E227 WeakPolarHBondContact CB-O 3.17Å; R177-E227 WeakPolarHBondContact CD-O 3.25Å; R177-L230 HydrophobicContact CB-CD2 3.72Å; R177-L230 HydrophobicContact CG-CD2 3.6Å |
| 178 | Q | 85.8 | Confident | 76.1 | Confident | 82 Ų | 82 | 41.2 Ų | 41.2 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.3 | -176 | -167.2 | -179.7 | 4.2 | 0 | 0 | 110.3 | Y158 L160 E227 | Y158-Q178 PolarHBondContact O-NE2 2.93Å; L160-Q178 HydrophobicContact CD2-CB 3.78Å; L160-Q178 HydrophobicContact CD2-CG 3.65Å; L160-Q178 HydrophobicContact CG-CG 4.44Å; Q178-E227 PolarHBondContact N-O 3.24Å |
| 179 | A | 88.5 | Confident | 76.7 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | trans | -70.1 | 162.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L151 L152 G159 S181 | L151-A179 HydrophobicContact CD2-CB 4.13Å; L151-A179 HydrophobicContact CG-CB 3.96Å; L152-A179 WeakPolarHBondContact O-CB 3.33Å; G159-A179 WeakPolarHBondContact O-CB 3.19Å; G159-A179 PolarHBondContact O-N 2.77Å; A179-S181 PolarHBondContact O-N 2.92Å | ||
| 180 | L | 85 | Confident | 77.5 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | trans | -62.9 | 137.6 | 167 | -74.4 | 164.5 | 0 | 0 | 0 | 109.4 | V182 T183 S184 L215 L224 K228 | L180-V182 PolarHBondContact O-N 2.88Å; L180-V182 VanDerWaalsContact O-N 3.15Å; L180-T183 HydrophobicContact CB-CG2 4.25Å; L180-T183 WeakPolarHBondContact CB-OG1 3.38Å; L180-T183 HydrophobicContact CD1-CG2 4.46Å; L180-T183 PolarHBondContact O-N 3.17Å; L180-T183 PolarHBondContact O-OG1 3.24Å; L180-T183 VanDerWaalsContact O-OG1 3.08Å; L180-S184 PolarHBondContact O-N 3.23Å; L180-L215 HydrophobicContact CD1-CB 4.46Å; L180-L215 HydrophobicContact CD1-CD2 3.62Å; L180-L224 HydrophobicContact CD1-CD2 3.72Å; L180-L224 HydrophobicContact CG-CD2 4.36Å; L180-K228 HydrophobicContact CD2-CD 3.95Å; L180-K228 HydrophobicContact CG-CD 4Å | ||
| 181 | S | 80.9 | Confident | 78.7 | Confident | 92 Ų | 92 | 50.9 Ų | 50.9 | 64% | 0.643 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -54.3 | -36.9 | 177.1 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | A179 | A179-S181 PolarHBondContact O-N 2.92Å |
| 182 | V | 82.8 | Confident | 79.5 | Confident | 47 Ų | 47 | 48 Ų | 48 | 29% | 0.285 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.4 | -27.5 | -178.9 | -155 | 0 | 0 | 0 | 0 | 112.6 | L180 W217 Y222 | L180-V182 PolarHBondContact O-N 2.88Å; L180-V182 VanDerWaalsContact O-N 3.15Å; V182-W217 HydrophobicContact CB-CZ3 4.25Å; V182-W217 HydrophobicContact CG1-CE3 4.11Å; V182-W217 HydrophobicContact CG1-CZ3 3.61Å; V182-W217 WeakPolarHBondContact O-CZ3 3.19Å; V182-Y222 HydrophobicContact CG2-CD1 4.23Å; V182-Y222 HydrophobicContact CG2-CE1 3.53Å |
| 183 | T | 84.1 | Confident | 80.7 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -93.2 | -17.7 | 178.3 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | L152 L180 D185 L186 F195 L215 W217 | L152-T183 HydrophobicContact CD2-CG2 4.49Å; L152-T183 CarbonylContact O-C 3.57Å; L152-T183 VanDerWaalsContact O-CB 3.22Å; L152-T183 WeakPolarHBondContact O-CB 3.42Å; L152-T183 VanDerWaalsContact O-O 3.09Å; L152-T183 PolarHBondContact O-OG1 3.08Å; L180-T183 HydrophobicContact CB-CG2 4.25Å; L180-T183 WeakPolarHBondContact CB-OG1 3.38Å; L180-T183 HydrophobicContact CD1-CG2 4.46Å; L180-T183 PolarHBondContact O-N 3.17Å; L180-T183 PolarHBondContact O-OG1 3.24Å; L180-T183 VanDerWaalsContact O-OG1 3.08Å; T183-D185 PolarHBondContact O-N 3.04Å; T183-L186 HydrophobicContact CG2-CD1 4.13Å; T183-L186 WeakPolarHBondContact O-CB 3.39Å; T183-L186 VanDerWaalsContact O-CG 3.27Å; T183-L186 WeakPolarHBondContact O-CG 3.43Å; T183-L186 PolarHBondContact O-N 2.99Å; T183-F195 HydrophobicContact CG2-CE2 4.29Å; T183-L215 HydrophobicContact CG2-CD2 4.09Å; T183-W217 HydrophobicContact CG2-CZ3 4.48Å |
| 184 | S | 81.1 | Confident | 81.5 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -30.4 | -179.6 | -169.8 | 0 | 0 | 0 | 0 | 113.1 | L152 G159 L180 L186 | L152-S184 PolarHBondContact O-N 3.18Å; G159-S184 VanDerWaalsContact CA-OG 3.32Å; G159-S184 WeakPolarHBondContact CA-OG 3.4Å; G159-S184 PolarHBondContact N-OG 2.84Å; L180-S184 PolarHBondContact O-N 3.23Å; S184-L186 PolarHBondContact O-N 2.78Å |
| 185 | D | 80.1 | Confident | 82.1 | Confident | 123 Ų | 123 | 52 Ų | 52 | 66% | 0.658 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -3.5 | 179.6 | -65.1 | -22.6 | 0 | 0 | 0 | 113.7 | T183 G187 | T183-D185 PolarHBondContact O-N 3.04Å; D185-G187 PolarHBondContact O-N 2.97Å; D185-G187 VanDerWaalsContact O-N 3.13Å |
| 186 | L | 80.1 | Confident | 82.5 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 27.1 | 178.3 | -59.3 | 170 | 0 | 0 | 0 | 112.7 | C153 T183 S184 D188 K191 L192 F195 W217 | C153-L186 PolarHBondContact SG-O 2.82Å; C153-L186 VanDerWaalsContact SG-O 3.42Å; T183-L186 HydrophobicContact CG2-CD1 4.13Å; T183-L186 WeakPolarHBondContact O-CB 3.39Å; T183-L186 VanDerWaalsContact O-CG 3.27Å; T183-L186 WeakPolarHBondContact O-CG 3.43Å; T183-L186 PolarHBondContact O-N 2.99Å; S184-L186 PolarHBondContact O-N 2.78Å; L186-D188 PolarHBondContact O-N 2.74Å; L186-K191 HydrophobicContact CD2-CB 3.94Å; L186-L192 HydrophobicContact CB-CD2 3.99Å; L186-L192 HydrophobicContact CB-CG 4.26Å; L186-L192 WeakPolarHBondContact O-CD1 3.15Å; L186-L192 WeakPolarHBondContact O-CG 3.39Å; L186-F195 HydrophobicContact CD1-CD2 3.68Å; L186-F195 HydrophobicContact CD1-CE2 4.1Å; L186-F195 HydrophobicContact CD1-CG 4.21Å; L186-W217 HydrophobicContact CD1-CH2 4.34Å; L186-W217 HydrophobicContact CD2-CH2 4.14Å; L186-W217 HydrophobicContact CD2-CZ2 4.36Å |
| 187 | G | 72.4 | Confident | 82.8 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D185 | D185-G187 PolarHBondContact O-N 2.97Å; D185-G187 VanDerWaalsContact O-N 3.13Å |
| 188 | D | 81.8 | Confident | 83.1 | Confident | 84 Ų | 84 | 53.6 Ų | 53.6 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -83.4 | 135.1 | 179.8 | -63.3 | -47.6 | 0 | 0 | 0 | 112.3 | L186 S190 K191 L192 | L186-D188 PolarHBondContact O-N 2.74Å; D188-S190 PolarHBondContact O-N 2.78Å; D188-K191 HydrophobicContact CB-CB 4.39Å; D188-K191 HydrophobicContact CB-CD 4.11Å; D188-K191 HydrophobicContact CB-CG 4.15Å; D188-K191 PolarHBondContact O-N 3.49Å; D188-K191 WeakPolarHBondContact OD2-CE 3.27Å; D188-K191 IonicContact OD2-NZ 3.65Å; D188-K191 PolarHBondContact OD2-NZ 3.04Å; D188-L192 PolarHBondContact O-N 2.88Å |
| 189 | I | 82.8 | Confident | 83.4 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.9 | -35.5 | 178.3 | -61.7 | 172.5 | 0 | 0 | 0 | 111.8 | L118 L123 L192 M193 | L118-I189 HydrophobicContact CD1-CG2 3.81Å; L123-I189 HydrophobicContact CD1-CD1 3.93Å; I189-L192 PolarHBondContact O-N 2.81Å; I189-M193 WeakPolarHBondContact O-CG 3.42Å; I189-M193 PolarHBondContact O-N 2.9Å; I189-M193 VanDerWaalsContact O-N 3.13Å |
| 190 | S | 81.3 | Confident | 83.6 | Confident | 82 Ų | 82 | 51.4 Ų | 51.4 | 57% | 0.573 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | 176.4 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | D188 M193 D194 | D188-S190 PolarHBondContact O-N 2.78Å; S190-M193 WeakPolarHBondContact O-CB 3.27Å; S190-M193 PolarHBondContact O-N 3.16Å; S190-D194 PolarHBondContact O-N 3.32Å |
| 191 | K | 81.4 | Confident | 83.8 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.9 | -33.9 | 177.3 | -65.8 | 175.3 | -176.8 | 150.4 | 0 | 112.2 | L186 D188 M193 D194 F195 | L186-K191 HydrophobicContact CD2-CB 3.94Å; D188-K191 HydrophobicContact CB-CB 4.39Å; D188-K191 HydrophobicContact CB-CD 4.11Å; D188-K191 HydrophobicContact CB-CG 4.15Å; D188-K191 PolarHBondContact O-N 3.49Å; D188-K191 WeakPolarHBondContact OD2-CE 3.27Å; D188-K191 IonicContact OD2-NZ 3.65Å; D188-K191 PolarHBondContact OD2-NZ 3.04Å; K191-M193 VanDerWaalsContact C-N 3.26Å; K191-M193 PolarHBondContact O-N 3.45Å; K191-D194 PolarHBondContact O-N 2.9Å; K191-F195 PolarHBondContact O-N 3.37Å |
| 192 | L | 83.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.3 | -26.7 | 173.9 | -76.1 | 161.2 | 0 | 0 | 0 | 112.8 | L118 L152 L186 D188 I189 F195 F243 | L118-L192 HydrophobicContact CD2-CB 3.89Å; L152-L192 HydrophobicContact CD1-CD2 4.22Å; L186-L192 HydrophobicContact CB-CD2 3.99Å; L186-L192 HydrophobicContact CB-CG 4.26Å; L186-L192 WeakPolarHBondContact O-CD1 3.15Å; L186-L192 WeakPolarHBondContact O-CG 3.39Å; D188-L192 PolarHBondContact O-N 2.88Å; I189-L192 PolarHBondContact O-N 2.81Å; L192-F195 WeakPolarHBondContact O-CB 3.11Å; L192-F195 PolarHBondContact O-N 3.14Å; L192-F243 HydrophobicContact CD1-CB 4.38Å; L192-F243 HydrophobicContact CD1-CD1 3.69Å; L192-F243 HydrophobicContact CD1-CD2 3.82Å; L192-F243 HydrophobicContact CD1-CE1 3.75Å; L192-F243 HydrophobicContact CD1-CE2 3.89Å; L192-F243 HydrophobicContact CD1-CG 3.71Å; L192-F243 HydrophobicContact CD1-CZ 3.84Å |
| 193 | M | 81.1 | Confident | 84.6 | Confident | 82 Ų | 82 | 48 Ų | 48 | 40% | 0.404 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 174.3 | -78.8 | -74.3 | -64.9 | 0 | 0 | 112.4 | L118 G121 I189 S190 K191 F195 | L118-M193 HydrophobicContact CD2-SD 4.49Å; L118-M193 HydrophobicContact CG-SD 4.5Å; G121-M193 WeakPolarHBondContact CA-SD 3.37Å; G121-M193 PolarHBondContact N-SD 2.9Å; I189-M193 WeakPolarHBondContact O-CG 3.42Å; I189-M193 PolarHBondContact O-N 2.9Å; I189-M193 VanDerWaalsContact O-N 3.13Å; S190-M193 WeakPolarHBondContact O-CB 3.27Å; S190-M193 PolarHBondContact O-N 3.16Å; K191-M193 VanDerWaalsContact C-N 3.26Å; K191-M193 PolarHBondContact O-N 3.45Å; M193-F195 PolarHBondContact O-N 3.07Å |
| 194 | D | 82.3 | Confident | 84.8 | Confident | 134 Ų | 134 | 49.1 Ų | 49.1 | 72% | 0.717 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -79.6 | -1.4 | 177.7 | -64.3 | -22.6 | 0 | 0 | 0 | 112.7 | S190 K191 D196 | S190-D194 PolarHBondContact O-N 3.32Å; K191-D194 PolarHBondContact O-N 2.9Å; D194-D196 PolarHBondContact O-N 3.14Å |
| 195 | F | 85.1 | Confident | 85.1 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 1% | 0.013 | 27% | 0.271 | C | S | . | . | trans | -76.8 | 109.5 | 179 | -178.1 | -106.9 | 0 | 0 | 0 | 111.2 | A18 I136 L152 T183 L186 K191 L192 M193 L215 W217 M245 | A18-F195 HydrophobicContact CB-CD1 3.51Å; A18-F195 HydrophobicContact CB-CE1 3.58Å; I136-F195 HydrophobicContact CD1-CD1 4.36Å; L152-F195 HydrophobicContact CD1-CD1 4.43Å; L152-F195 HydrophobicContact CD1-CE1 4.24Å; L152-F195 HydrophobicContact CD2-CE1 4.06Å; L152-F195 HydrophobicContact CD2-CZ 4.04Å; T183-F195 HydrophobicContact CG2-CE2 4.29Å; L186-F195 HydrophobicContact CD1-CD2 3.68Å; L186-F195 HydrophobicContact CD1-CE2 4.1Å; L186-F195 HydrophobicContact CD1-CG 4.21Å; K191-F195 PolarHBondContact O-N 3.37Å; L192-F195 WeakPolarHBondContact O-CB 3.11Å; L192-F195 PolarHBondContact O-N 3.14Å; M193-F195 PolarHBondContact O-N 3.07Å; F195-L215 HydrophobicContact CZ-CD1 4.15Å; F195-L215 HydrophobicContact CZ-CD2 4.44Å; F195-W217 HydrophobicContact CD2-CD2 4.16Å; F195-W217 AromaticContact CD2-CE2 3.65Å; F195-W217 HydrophobicContact CD2-CG 4.49Å; F195-W217 AromaticContact CD2-CZ2 3.89Å; F195-W217 HydrophobicContact CD2-CZ2 3.89Å; F195-W217 AromaticContact CD2-NE1 3.68Å; F195-W217 AromaticContact CE2-CD2 3.85Å; F195-W217 HydrophobicContact CE2-CD2 3.85Å; F195-W217 AromaticContact CE2-CE2 3.84Å; F195-W217 HydrophobicContact CE2-CE3 4.34Å; F195-W217 HydrophobicContact CE2-CG 4.01Å; F195-W217 HydrophobicContact CE2-CZ2 4.36Å; F195-W217 AromaticContact CE2-NE1 3.96Å; F195-M245 HydrophobicContact CE1-SD 4.44Å | ||
| 196 | D | 86 | Confident | 85.1 | Confident | 94 Ų | 94 | 46.8 Ų | 46.8 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | trans | -112.2 | 20.7 | -174.9 | 68 | -27.8 | 0 | 0 | 0 | 113.9 | D194 W217 | D194-D196 PolarHBondContact O-N 3.14Å; D196-W217 PolarHBondContact OD1-NE1 3.32Å | ||
| 197 | G | 87.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -61 | 142.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A18 H216 | A18-G197 PolarHBondContact N-O 2.82Å; G197-H216 WeakPolarHBondContact CA-O 3.49Å | ||
| 198 | E | 92.3 | Very high | 85.6 | Confident | 50 Ų | 50 | 52.3 Ų | 52.3 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.7 | 172.1 | -175.4 | -179.7 | 174.4 | 0 | 0 | 110 | H15 H216 | H15-E198 IonicContact CG-OE1 3.61Å; H15-E198 IonicContact ND1-OE1 3.61Å; H15-E198 PolarHBondContact ND1-OE1 3.18Å; E198-H216 HydrophobicContact CB-CB 4.44Å; E198-H216 PolarHBondContact N-O 3Å; E198-H216 PolarHBondContact O-N 3.42Å |
| 199 | V | 92.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.4 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | V16 L150 C201 L215 L224 M245 I247 | V16-V199 PolarHBondContact N-O 3.3Å; V16-V199 PolarHBondContact O-N 2.85Å; L150-V199 HydrophobicContact CD2-CG2 3.78Å; V199-C201 HydrophobicContact CG1-CB 4.42Å; V199-L215 HydrophobicContact CG2-CD1 3.66Å; V199-L224 HydrophobicContact CG1-CD1 3.75Å; V199-L224 HydrophobicContact CG2-CD1 4.42Å; V199-M245 HydrophobicContact CG2-CE 4.24Å; V199-M245 HydrophobicContact CG2-SD 4.23Å; V199-I247 HydrophobicContact CB-CD1 4.21Å; V199-I247 HydrophobicContact CG1-CD1 4.01Å; V199-I247 HydrophobicContact CG2-CD1 4.3Å |
| 200 | I | 91.4 | Very high | 85.5 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.2 | 171.9 | -53.6 | 179.2 | 0 | 0 | 0 | 107.6 | R14 G213 T214 | R14-I200 WeakPolarHBondContact O-CA 3.33Å; I200-G213 CarbonylContact O-C 3.56Å; I200-G213 VanDerWaalsContact O-CA 3.22Å; I200-G213 WeakPolarHBondContact O-CA 3.02Å; I200-T214 PolarHBondContact N-O 2.82Å; I200-T214 PolarHBondContact O-N 2.9Å |
| 201 | C | 90.1 | Very high | 85.8 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 168.8 | -176.5 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | R14 V199 F211 | R14-C201 PolarHBondContact N-O 3.2Å; R14-C201 PolarHBondContact O-N 2.86Å; V199-C201 HydrophobicContact CG1-CB 4.42Å; C201-F211 HydrophobicContact CB-CE2 4.01Å; C201-F211 HydrophobicContact CB-CZ 3.91Å |
| 202 | E | 90.4 | Very high | 86.2 | Confident | 34 Ų | 34 | 50.7 Ų | 50.7 | 16% | 0.159 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 156.3 | 175 | 65.8 | 178.7 | 167.6 | 0 | 0 | 112.4 | N205 F211 T212 | E202-N205 PolarHBondContact OE1-ND2 2.81Å; E202-N205 PolarHBondContact OE2-ND2 2.99Å; E202-F211 WeakPolarHBondContact OE1-CA 3.32Å; E202-T212 PolarHBondContact N-O 3.35Å; E202-T212 PolarHBondContact OE1-N 3.48Å |
| 203 | P | 89.3 | Confident | 86.5 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 31% | 0.312 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 155.3 | 175 | 26.1 | -34.9 | 0 | 0 | 0 | 111.5 | K12 N205 | K12-P203 WeakPolarHBondContact O-CD 3.32Å; P203-N205 PolarHBondContact O-N 3.41Å; P203-N205 VanDerWaalsContact O-N 3.15Å |
| 204 | P | 88.2 | Confident | 86.9 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 18% | 0.175 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 121 | -175.5 | 26.5 | -35.1 | 0 | 0 | 0 | 110.8 | F248 Q252 Q257 | P204-F248 HydrophobicContact CB-CD1 3.87Å; P204-F248 HydrophobicContact CB-CE1 3.85Å; P204-F248 HydrophobicContact CB-CG 4.47Å; P204-F248 HydrophobicContact CB-CZ 4.44Å; P204-F248 HydrophobicContact CG-CE1 4.48Å; P204-Q252 HydrophobicContact CB-CB 4.12Å; P204-Q252 WeakPolarHBondContact CB-O 3.41Å; P204-Q252 HydrophobicContact CG-CB 4.23Å; P204-Q252 HydrophobicContact CG-CG 4.26Å; P204-Q257 PolarHBondContact O-NE2 3.17Å; P204-Q257 PolarHBondContact O-OE1 3.43Å |
| 205 | N | 87.2 | Confident | 87.3 | Confident | 29 Ų | 29 | 43.2 Ų | 43.2 | 16% | 0.155 | 23% | 0.229 | C | C | . | . | trans | -123.1 | 166.4 | -177.6 | 68.7 | 58.6 | 0 | 0 | 0 | 111.7 | E202 P203 K207 K254 Q257 | E202-N205 PolarHBondContact OE1-ND2 2.81Å; E202-N205 PolarHBondContact OE2-ND2 2.99Å; P203-N205 PolarHBondContact O-N 3.41Å; P203-N205 VanDerWaalsContact O-N 3.15Å; N205-K207 WeakPolarHBondContact OD1-CB 3.35Å; N205-K207 PolarHBondContact OD1-N 3.15Å; N205-K207 PolarHBondContact OD1-O 3.47Å; N205-K254 WeakPolarHBondContact O-CG 3.37Å; N205-Q257 VanDerWaalsContact CA-OE1 3.24Å; N205-Q257 PolarHBondContact O-OE1 3.44Å; N205-Q257 VanDerWaalsContact O-OE1 3.14Å | ||
| 206 | N | 81.3 | Confident | 87.6 | Confident | 68 Ų | 68 | 45.8 Ų | 45.8 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -92.1 | 7.6 | -176.7 | 67.5 | -22.1 | 0 | 0 | 0 | 113.8 | Q257 N258 | N206-Q257 HydrophobicContact CB-CB 4.22Å; N206-N258 PolarHBondContact O-ND2 2.86Å; N206-N258 PolarHBondContact O-OD1 3.3Å |
| 207 | K | 81.7 | Confident | 87.6 | Confident | 109 Ų | 109 | 41.9 Ų | 41.9 | 47% | 0.474 | 22% | 0.219 | S | C | . | . | trans | -88.8 | 110 | -178 | -63.7 | -177.6 | 178.3 | -175 | 0 | 110.1 | N205 D209 K210 K254 | N205-K207 WeakPolarHBondContact OD1-CB 3.35Å; N205-K207 PolarHBondContact OD1-N 3.15Å; N205-K207 PolarHBondContact OD1-O 3.47Å; K207-D209 VanDerWaalsContact C-N 3.31Å; K207-D209 PolarHBondContact O-N 2.8Å; K207-K210 HydrophobicContact CB-CB 3.97Å; K207-K210 HydrophobicContact CD-CB 4.35Å; K207-K210 HydrophobicContact CD-CD 4.25Å; K207-K254 WeakPolarHBondContact O-CD 3.36Å; K207-K254 WeakPolarHBondContact O-CE 3.38Å; K207-K254 PolarHBondContact O-NZ 2.68Å | ||
| 208 | L | 80.4 | Confident | 87.3 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 23% | 0.225 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -68 | -31.1 | -176.2 | -66.4 | 173.4 | 0 | 0 | 0 | 113.1 | L168 N226 L231 K254 | L168-L208 HydrophobicContact CD2-CD2 3.81Å; L208-N226 PolarHBondContact O-ND2 3Å; L208-N226 PolarHBondContact O-OD1 2.89Å; L208-L231 HydrophobicContact CD2-CD1 3.99Å; L208-K254 HydrophobicContact CD2-CB 4.06Å |
| 209 | D | 78.8 | Confident | 86.8 | Confident | 127 Ų | 127 | 56.4 Ų | 56.4 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -86.6 | -26.3 | -175.8 | 60.5 | -33.4 | 0 | 0 | 0 | 113.6 | K207 N226 | K207-D209 VanDerWaalsContact C-N 3.31Å; K207-D209 PolarHBondContact O-N 2.8Å; D209-N226 WeakPolarHBondContact CA-ND2 3.44Å; D209-N226 VanDerWaalsContact O-CB 3.31Å; D209-N226 WeakPolarHBondContact O-CB 3.21Å; D209-N226 PolarHBondContact O-ND2 3Å |
| 210 | K | 83.4 | Confident | 86.4 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 42% | 0.417 | 31% | 0.307 | S | S | . | . | trans | -102 | 123 | -175.5 | -172.6 | -179 | 177.3 | -175.2 | 0 | 112.2 | K207 K254 | K207-K210 HydrophobicContact CB-CB 3.97Å; K207-K210 HydrophobicContact CD-CB 4.35Å; K207-K210 HydrophobicContact CD-CD 4.25Å; K210-K254 PolarHBondContact O-NZ 2.94Å | ||
| 211 | F | 89.2 | Confident | 86 | Confident | 7 Ų | 7 | 66 Ų | 66 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | trans | -144.9 | 131.3 | 164.9 | 177.2 | -104.3 | 0 | 0 | 0 | 109 | C201 E202 L224 N226 L229 F248 | C201-F211 HydrophobicContact CB-CE2 4.01Å; C201-F211 HydrophobicContact CB-CZ 3.91Å; E202-F211 WeakPolarHBondContact OE1-CA 3.32Å; F211-L224 HydrophobicContact CE1-CB 4.02Å; F211-N226 HydrophobicContact CB-CB 4.1Å; F211-L229 HydrophobicContact CB-CD2 4.33Å; F211-L229 HydrophobicContact CD1-CB 4.49Å; F211-L229 HydrophobicContact CD1-CD2 4.43Å; F211-L229 HydrophobicContact CD2-CD2 4.01Å; F211-L229 HydrophobicContact CE1-CD1 4.28Å; F211-L229 HydrophobicContact CE2-CD1 4.47Å; F211-L229 HydrophobicContact CE2-CD2 4.43Å; F211-L229 HydrophobicContact CG-CD2 4Å; F211-L229 HydrophobicContact CZ-CD1 4.22Å; F211-F248 HydrophobicContact CD2-CE2 4.34Å; F211-F248 AromaticContact CE2-CE2 3.96Å; F211-F248 HydrophobicContact CE2-CE2 3.96Å; F211-F248 HydrophobicContact CE2-CZ 4.27Å | ||
| 212 | T | 87.9 | Confident | 85.8 | Confident | 69 Ų | 69 | 68.2 Ų | 68.2 | 42% | 0.423 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.1 | 175.1 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | E202 | E202-T212 PolarHBondContact N-O 3.35Å; E202-T212 PolarHBondContact OE1-N 3.48Å |
| 213 | G | 89.7 | Confident | 85.7 | Confident | 12 Ų | 12 | 70.3 Ų | 70.3 | 12% | 0.124 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 175.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I200 L224 | I200-G213 CarbonylContact O-C 3.56Å; I200-G213 VanDerWaalsContact O-CA 3.22Å; I200-G213 WeakPolarHBondContact O-CA 3.02Å; G213-L224 PolarHBondContact N-O 2.91Å; G213-L224 WeakPolarHBondContact O-CB 3.43Å; G213-L224 PolarHBondContact O-N 3.17Å |
| 214 | T | 90.6 | Very high | 85.6 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 29% | 0.288 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.5 | 175.3 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | I200 K221 Y222 | I200-T214 PolarHBondContact N-O 2.82Å; I200-T214 PolarHBondContact O-N 2.9Å; T214-K221 HydrophobicContact CG2-CB 3.88Å; T214-K221 HydrophobicContact CG2-CD 4.44Å; T214-K221 HydrophobicContact CG2-CG 4.38Å; T214-Y222 CarbonylContact C-O 3.52Å; T214-Y222 WeakPolarHBondContact CA-O 3.45Å |
| 215 | L | 91.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123.1 | 168.8 | 175.5 | 67.9 | 0 | 0 | 0 | 109 | L180 T183 F195 V199 W217 K221 Y222 L224 | L180-L215 HydrophobicContact CD1-CB 4.46Å; L180-L215 HydrophobicContact CD1-CD2 3.62Å; T183-L215 HydrophobicContact CG2-CD2 4.09Å; F195-L215 HydrophobicContact CZ-CD1 4.15Å; F195-L215 HydrophobicContact CZ-CD2 4.44Å; V199-L215 HydrophobicContact CG2-CD1 3.66Å; L215-W217 HydrophobicContact CG-CB 4.35Å; L215-K221 WeakPolarHBondContact O-CA 3.15Å; L215-Y222 PolarHBondContact N-O 2.83Å; L215-Y222 PolarHBondContact O-N 3.01Å; L215-L224 HydrophobicContact CB-CD1 4.13Å; L215-L224 HydrophobicContact CB-CD2 4.23Å; L215-L224 HydrophobicContact CB-CG 4.24Å |
| 216 | H | 90.3 | Very high | 85.5 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 27% | 0.269 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 114.1 | 170.8 | -72 | -107.1 | 0 | 0 | 0 | 109.1 | G197 E198 K221 | G197-H216 WeakPolarHBondContact CA-O 3.49Å; E198-H216 HydrophobicContact CB-CB 4.44Å; E198-H216 PolarHBondContact N-O 3Å; E198-H216 PolarHBondContact O-N 3.42Å; H216-K221 WeakPolarHBondContact CE1-CE 3.19Å |
| 217 | W | 86.1 | Confident | 85.6 | Confident | 11 Ų | 11 | 72.4 Ų | 72.4 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 131 | 178.9 | -170.9 | 47.6 | 0 | 0 | 0 | 111 | V182 T183 L186 F195 D196 L215 D219 N220 | V182-W217 HydrophobicContact CB-CZ3 4.25Å; V182-W217 HydrophobicContact CG1-CE3 4.11Å; V182-W217 HydrophobicContact CG1-CZ3 3.61Å; V182-W217 WeakPolarHBondContact O-CZ3 3.19Å; T183-W217 HydrophobicContact CG2-CZ3 4.48Å; L186-W217 HydrophobicContact CD1-CH2 4.34Å; L186-W217 HydrophobicContact CD2-CH2 4.14Å; L186-W217 HydrophobicContact CD2-CZ2 4.36Å; F195-W217 HydrophobicContact CD2-CD2 4.16Å; F195-W217 AromaticContact CD2-CE2 3.65Å; F195-W217 HydrophobicContact CD2-CG 4.49Å; F195-W217 AromaticContact CD2-CZ2 3.89Å; F195-W217 HydrophobicContact CD2-CZ2 3.89Å; F195-W217 AromaticContact CD2-NE1 3.68Å; F195-W217 AromaticContact CE2-CD2 3.85Å; F195-W217 HydrophobicContact CE2-CD2 3.85Å; F195-W217 AromaticContact CE2-CE2 3.84Å; F195-W217 HydrophobicContact CE2-CE3 4.34Å; F195-W217 HydrophobicContact CE2-CG 4.01Å; F195-W217 HydrophobicContact CE2-CZ2 4.36Å; F195-W217 AromaticContact CE2-NE1 3.96Å; D196-W217 PolarHBondContact OD1-NE1 3.32Å; L215-W217 HydrophobicContact CG-CB 4.35Å; W217-D219 PolarHBondContact O-N 2.81Å; W217-N220 PolarHBondContact N-O 3.3Å; W217-N220 PolarHBondContact O-N 2.84Å |
| 218 | R | 82.7 | Confident | 86 | Confident | 182 Ų | 182 | 68.6 Ų | 68.6 | 69% | 0.687 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 50.4 | -178.7 | -59.9 | 178.2 | 174.9 | 177.1 | -0.5 | 113.6 | N220 | R218-N220 PolarHBondContact O-N 2.75Š|
| 219 | D | 80.6 | Confident | 86.5 | Confident | 173 Ų | 173 | 66.5 Ų | 66.5 | 93% | 0.925 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 3.2 | -176.9 | -60.6 | -42.5 | 0 | 0 | 0 | 116.5 | W217 | W217-D219 PolarHBondContact O-N 2.81Š|
| 220 | N | 83.1 | Confident | 87.2 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 153.7 | 175.1 | -70.2 | -35.2 | 0 | 0 | 0 | 111.8 | W217 R218 Y222 | W217-N220 PolarHBondContact N-O 3.3Å; W217-N220 PolarHBondContact O-N 2.84Å; R218-N220 PolarHBondContact O-N 2.75Å; N220-Y222 HydrophobicContact CB-CE2 3.79Å |
| 221 | K | 84 | Confident | 87.6 | Confident | 153 Ų | 153 | 56.3 Ų | 56.3 | 67% | 0.665 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.3 | 175.1 | -60.2 | -171 | -169.8 | -170.7 | 0 | 109.9 | T214 L215 H216 | T214-K221 HydrophobicContact CG2-CB 3.88Å; T214-K221 HydrophobicContact CG2-CD 4.44Å; T214-K221 HydrophobicContact CG2-CG 4.38Å; L215-K221 WeakPolarHBondContact O-CA 3.15Å; H216-K221 WeakPolarHBondContact CE1-CE 3.19Å |
| 222 | Y | 86.9 | Confident | 87.6 | Confident | 51 Ų | 51 | 56.4 Ų | 56.4 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.5 | 177 | -57.4 | -79.5 | 0 | 0 | 0 | 110.3 | V182 T214 L215 N220 | V182-Y222 HydrophobicContact CG2-CD1 4.23Å; V182-Y222 HydrophobicContact CG2-CE1 3.53Å; T214-Y222 CarbonylContact C-O 3.52Å; T214-Y222 WeakPolarHBondContact CA-O 3.45Å; L215-Y222 PolarHBondContact N-O 2.83Å; L215-Y222 PolarHBondContact O-N 3.01Å; N220-Y222 HydrophobicContact CB-CE2 3.79Å |
| 223 | S | 87.3 | Confident | 87.3 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.2 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | K228 | S223-K228 PolarHBondContact O-NZ 2.96Å |
| 224 | L | 87.8 | Confident | 87.2 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128 | 175.3 | -58.4 | 177.6 | 0 | 0 | 0 | 110.3 | L150 L180 V199 F211 G213 L215 K228 | L150-L224 HydrophobicContact CD1-CD1 4.03Å; L150-L224 HydrophobicContact CD1-CD2 3.78Å; L150-L224 HydrophobicContact CD1-CG 4.43Å; L150-L224 HydrophobicContact CD2-CD1 3.92Å; L150-L224 HydrophobicContact CD2-CD2 4.38Å; L180-L224 HydrophobicContact CD1-CD2 3.72Å; L180-L224 HydrophobicContact CG-CD2 4.36Å; V199-L224 HydrophobicContact CG1-CD1 3.75Å; V199-L224 HydrophobicContact CG2-CD1 4.42Å; F211-L224 HydrophobicContact CE1-CB 4.02Å; G213-L224 PolarHBondContact N-O 2.91Å; G213-L224 WeakPolarHBondContact O-CB 3.43Å; G213-L224 PolarHBondContact O-N 3.17Å; L215-L224 HydrophobicContact CB-CD1 4.13Å; L215-L224 HydrophobicContact CB-CD2 4.23Å; L215-L224 HydrophobicContact CB-CG 4.24Å; L224-K228 HydrophobicContact CD2-CD 3.87Å |
| 225 | D | 86 | Confident | 87.1 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 38% | 0.38 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 172.5 | 178.7 | -46.9 | -60.9 | 0 | 0 | 0 | 109.2 | E227 K228 | D225-E227 PolarHBondContact O-N 3.44Å; D225-E227 VanDerWaalsContact O-N 3.14Å; D225-K228 PolarHBondContact O-N 3.14Å; D225-K228 VanDerWaalsContact O-N 3.08Å; D225-K228 IonicContact OD2-NZ 3.85Å; D225-K228 PolarHBondContact OD2-NZ 3.5Å |
| 226 | N | 86.1 | Confident | 87 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -61.4 | -24 | -177.4 | -161.3 | 46 | 0 | 0 | 0 | 113.9 | R177 L208 D209 F211 K228 L229 | R177-N226 PolarHBondContact NH1-O 3.39Å; L208-N226 PolarHBondContact O-ND2 3Å; L208-N226 PolarHBondContact O-OD1 2.89Å; D209-N226 WeakPolarHBondContact CA-ND2 3.44Å; D209-N226 VanDerWaalsContact O-CB 3.31Å; D209-N226 WeakPolarHBondContact O-CB 3.21Å; D209-N226 PolarHBondContact O-ND2 3Å; F211-N226 HydrophobicContact CB-CB 4.1Å; N226-K228 PolarHBondContact O-N 3.48Å; N226-L229 PolarHBondContact O-N 3.48Å |
| 227 | E | 84.8 | Confident | 86.6 | Confident | 122 Ų | 122 | 52.1 Ų | 52.1 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -64.7 | -16.9 | 175.9 | -65.7 | -176.2 | 173.1 | 0 | 0 | 114.5 | R177 Q178 D225 | R177-E227 WeakPolarHBondContact CA-O 3.33Å; R177-E227 WeakPolarHBondContact CB-O 3.17Å; R177-E227 WeakPolarHBondContact CD-O 3.25Å; Q178-E227 PolarHBondContact N-O 3.24Å; D225-E227 PolarHBondContact O-N 3.44Å; D225-E227 VanDerWaalsContact O-N 3.14Å |
| 228 | K | 88.8 | Confident | 86.1 | Confident | 29 Ų | 29 | 54 Ų | 54 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -99.1 | -1 | -178.6 | -53.4 | -179.8 | -179 | 100.2 | 0 | 112 | L150 L151 L180 S223 L224 D225 N226 | L150-K228 HydrophobicContact CD1-CB 4.02Å; L151-K228 WeakPolarHBondContact CB-O 3.27Å; L151-K228 PolarHBondContact N-O 3.2Å; L180-K228 HydrophobicContact CD2-CD 3.95Å; L180-K228 HydrophobicContact CG-CD 4Å; S223-K228 PolarHBondContact O-NZ 2.96Å; L224-K228 HydrophobicContact CD2-CD 3.87Å; D225-K228 PolarHBondContact O-N 3.14Å; D225-K228 VanDerWaalsContact O-N 3.08Å; D225-K228 IonicContact OD2-NZ 3.85Å; D225-K228 PolarHBondContact OD2-NZ 3.5Å; N226-K228 PolarHBondContact O-N 3.48Å |
| 229 | L | 91.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.2 | -174.4 | -162.7 | 79.6 | 0 | 0 | 0 | 111.2 | I149 F211 N226 L231 I247 | I149-L229 CarbonylContact O-C 3.4Å; I149-L229 WeakPolarHBondContact O-CA 3.33Å; I149-L229 WeakPolarHBondContact O-CD1 3.41Å; F211-L229 HydrophobicContact CB-CD2 4.33Å; F211-L229 HydrophobicContact CD1-CB 4.49Å; F211-L229 HydrophobicContact CD1-CD2 4.43Å; F211-L229 HydrophobicContact CD2-CD2 4.01Å; F211-L229 HydrophobicContact CE1-CD1 4.28Å; F211-L229 HydrophobicContact CE2-CD1 4.47Å; F211-L229 HydrophobicContact CE2-CD2 4.43Å; F211-L229 HydrophobicContact CG-CD2 4Å; F211-L229 HydrophobicContact CZ-CD1 4.22Å; N226-L229 PolarHBondContact O-N 3.48Å; L229-L231 HydrophobicContact CD2-CD2 3.51Å; L229-L231 HydrophobicContact CG-CD2 4.21Å; L229-I247 HydrophobicContact CD1-CG1 4.41Å |
| 230 | L | 93.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 123.2 | 168.7 | -45.5 | -175.9 | 0 | 0 | 0 | 108.7 | L139 V145 D148 I149 L151 I163 R177 | L139-L230 HydrophobicContact CD1-CD1 4.43Å; V145-L230 HydrophobicContact CG1-CB 4.41Å; V145-L230 HydrophobicContact CG2-CB 4.22Å; D148-L230 CarbonylContact C-O 3.49Å; D148-L230 WeakPolarHBondContact CA-O 3.48Å; I149-L230 HydrophobicContact CD1-CB 4.19Å; I149-L230 HydrophobicContact CD1-CD1 4.04Å; I149-L230 HydrophobicContact CD1-CG 4.45Å; I149-L230 HydrophobicContact CG1-CB 3.68Å; I149-L230 HydrophobicContact CG1-CD1 4.34Å; I149-L230 HydrophobicContact CG1-CG 4.2Å; I149-L230 PolarHBondContact N-O 3.22Å; I149-L230 PolarHBondContact O-N 2.83Å; L151-L230 HydrophobicContact CB-CG 4.49Å; L151-L230 HydrophobicContact CD1-CD1 4.26Å; I163-L230 HydrophobicContact CD1-CD2 4.23Å; I163-L230 HydrophobicContact CG2-CD1 4.47Å; I163-L230 HydrophobicContact CG2-CD2 3.9Å; R177-L230 HydrophobicContact CB-CD2 3.72Å; R177-L230 HydrophobicContact CG-CD2 3.6Å |
| 231 | L | 92.1 | Very high | 86.8 | Confident | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | trans | -87.5 | 153.2 | -175.4 | -59.6 | 178.6 | 0 | 0 | 0 | 111.5 | V145 D148 L168 L208 L229 G233 C234 K254 | V145-L231 WeakPolarHBondContact CB-O 3.34Å; V145-L231 WeakPolarHBondContact CG1-O 3.3Å; D148-L231 HydrophobicContact CB-CD2 4.41Å; D148-L231 WeakPolarHBondContact OD1-CA 3.46Å; L168-L231 HydrophobicContact CD1-CB 3.89Å; L168-L231 HydrophobicContact CD2-CB 4.03Å; L168-L231 HydrophobicContact CD2-CD1 4.08Å; L208-L231 HydrophobicContact CD2-CD1 3.99Å; L229-L231 HydrophobicContact CD2-CD2 3.51Å; L229-L231 HydrophobicContact CG-CD2 4.21Å; L231-G233 PolarHBondContact O-N 2.87Å; L231-C234 WeakPolarHBondContact O-CB 3.24Å; L231-C234 PolarHBondContact O-N 3.33Å; L231-C234 PolarHBondContact O-SG 3.24Å; L231-K254 HydrophobicContact CD1-CD 4.48Å; L231-K254 HydrophobicContact CD2-CB 4.48Å; L231-K254 HydrophobicContact CD2-CD 3.82Å; L231-K254 HydrophobicContact CD2-CG 4.22Å | ||
| 232 | R | 88.9 | Confident | 87.2 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 3% | 0.034 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 132.6 | 169.5 | -176.8 | 179.6 | 179.4 | 120 | 2.4 | 110.2 | N32 A146 D148 T253 L255 | N32-R232 PolarHBondContact OD1-NH1 3.09Å; A146-R232 PolarHBondContact O-NH1 3.29Å; D148-R232 PolarHBondContact OD1-N 3.3Å; R232-T253 HydrophobicContact CB-CG2 4.12Å; R232-L255 HydrophobicContact CG-CD2 4.42Å |
| 233 | G | 81.3 | Confident | 87.5 | Confident | 4 Ų | 4 | 32 Ų | 32 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.1 | -18.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L231 | L231-G233 PolarHBondContact O-N 2.87Š|
| 234 | C | 88.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | trans | -64 | 147.3 | 168.5 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | F144 V145 I163 E164 L168 L231 | F144-C234 WeakPolarHBondContact CA-O 3.47Å; V145-C234 HydrophobicContact CB-CB 4.39Å; V145-C234 HydrophobicContact CG2-CB 3.84Å; V145-C234 WeakPolarHBondContact CG2-O 3.03Å; V145-C234 PolarHBondContact N-O 3.04Å; I163-C234 HydrophobicContact CB-CB 4.28Å; I163-C234 HydrophobicContact CD1-CB 4.43Å; I163-C234 HydrophobicContact CG2-CB 4.46Å; E164-C234 VanDerWaalsContact O-CA 3.32Å; E164-C234 WeakPolarHBondContact O-CA 3.4Å; L168-C234 HydrophobicContact CD1-CB 4.35Å; L168-C234 WeakPolarHBondContact CD1-SG 3.31Å; L231-C234 WeakPolarHBondContact O-CB 3.24Å; L231-C234 PolarHBondContact O-N 3.33Å; L231-C234 PolarHBondContact O-SG 3.24Å | ||
| 235 | V | 87.4 | Confident | 88.1 | Confident | 11 Ų | 11 | 28.2 Ų | 28.2 | 7% | 0.067 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.8 | 168.9 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | F144 I163 E164 R237 | F144-V235 HydrophobicContact CD1-CG2 3.5Å; F144-V235 VanDerWaalsContact CD1-CG2 3.5Å; F144-V235 HydrophobicContact CD2-CG2 4.48Å; F144-V235 HydrophobicContact CE1-CG2 3.3Å; F144-V235 HydrophobicContact CE2-CG2 4.32Å; F144-V235 HydrophobicContact CG-CG2 4.1Å; F144-V235 HydrophobicContact CZ-CG2 3.75Å; I163-V235 CarbonylContact C-O 3.53Å; I163-V235 WeakPolarHBondContact CA-O 3.27Å; E164-V235 HydrophobicContact CB-CB 4.29Å; E164-V235 PolarHBondContact N-O 2.66Å; E164-V235 PolarHBondContact O-N 3Å; V235-R237 HydrophobicContact CG1-CG 4.41Å; V235-R237 PolarHBondContact O-N 3Å |
| 236 | L | 88.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 128.7 | 172.3 | -171 | 71 | 0 | 0 | 0 | 109 | L139 N142 Q143 C161 I163 T239 | L139-L236 HydrophobicContact CB-CD2 4.11Å; N142-L236 WeakPolarHBondContact CA-O 3.4Å; N142-L236 PolarHBondContact N-O 3.22Å; Q143-L236 PolarHBondContact O-N 3.11Å; C161-L236 HydrophobicContact CB-CD1 3.98Å; I163-L236 HydrophobicContact CG2-CD1 4.34Å; L236-T239 HydrophobicContact CD1-CG2 4.24Å; L236-T239 HydrophobicContact CD2-CG2 4.29Å |
| 237 | R | 82.3 | Confident | 88.9 | Confident | 80 Ų | 80 | 23.9 Ų | 23.9 | 30% | 0.302 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 156.7 | 177.7 | -64.3 | -64.2 | -167.9 | 167.1 | 6.5 | 109.1 | N141 N142 Y162 E164 L174 V235 T239 | N141-R237 WeakPolarHBondContact OD1-CA 3.33Å; N142-R237 WeakPolarHBondContact OD1-CD 3.42Å; N142-R237 PolarHBondContact OD1-NH1 2.83Å; Y162-R237 WeakPolarHBondContact CB-O 3.49Å; Y162-R237 PolarHBondContact O-N 2.92Å; E164-R237 HydrophobicContact CB-CG 3.95Å; E164-R237 IonicContact OE2-CZ 3.7Å; E164-R237 IonicContact OE2-NE 2.88Å; E164-R237 PolarHBondContact OE2-NE 3.45Å; E164-R237 IonicContact OE2-NH2 2.88Å; E164-R237 PolarHBondContact OE2-NH2 3.14Å; L174-R237 HydrophobicContact CD1-CB 4.49Å; L174-R237 HydrophobicContact CD2-CB 3.55Å; L174-R237 HydrophobicContact CD2-CG 3.75Å; V235-R237 HydrophobicContact CG1-CG 4.41Å; V235-R237 PolarHBondContact O-N 3Å; R237-T239 PolarHBondContact O-N 3.34Å; R237-T239 PolarHBondContact O-OG1 3.19Å |
| 238 | N | 76 | Confident | 89.3 | Confident | 50 Ų | 50 | 18.1 Ų | 18.1 | 27% | 0.267 | 8% | 0.081 | S | C | . | . | S | Bend | trans | 48.1 | 29.8 | 173.1 | -60 | -7.8 | 0 | 0 | 0 | 114.8 | N141 Y162 L174 Q490 | N141-N238 PolarHBondContact OD1-N 3.35Å; Y162-N238 HydrophobicContact CD2-CB 3.95Å; Y162-N238 HydrophobicContact CG-CB 4.24Å; L174-N238 WeakPolarHBondContact CD1-ND2 3.44Å; N238-Q490 PolarHBondContact ND2-OE1 3.31Å |
| 239 | T | 82.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -145.6 | 120.5 | 179.8 | -61.5 | 0 | 0 | 0 | 0 | 105.6 | N141 S154 S155 E156 C161 Y162 L236 R237 W241 | N141-T239 WeakPolarHBondContact CA-O 3.35Å; N141-T239 VanDerWaalsContact CB-O 3.22Å; N141-T239 WeakPolarHBondContact CB-O 3.34Å; S154-T239 WeakPolarHBondContact OG-CG2 3.47Å; S155-T239 WeakPolarHBondContact OG-CG2 3.33Å; E156-T239 HydrophobicContact CG-CG2 4.31Å; C161-T239 WeakPolarHBondContact CA-OG1 3.12Å; C161-T239 HydrophobicContact CB-CG2 3.95Å; Y162-T239 PolarHBondContact N-OG1 2.92Å; L236-T239 HydrophobicContact CD1-CG2 4.24Å; L236-T239 HydrophobicContact CD2-CG2 4.29Å; R237-T239 PolarHBondContact O-N 3.34Å; R237-T239 PolarHBondContact O-OG1 3.19Å; T239-W241 VanDerWaalsContact C-N 3.34Å; T239-W241 WeakPolarHBondContact CG2-O 3.5Å; T239-W241 PolarHBondContact O-N 3.23Å | ||
| 240 | E | 86.6 | Confident | 89.3 | Confident | 112 Ų | 112 | 16.8 Ų | 16.8 | 52% | 0.523 | 8% | 0.075 | S | C | . | . | S | Bend | trans | -62.9 | -44.8 | -173.9 | -69.4 | -176 | -177.6 | 0 | 0 | 111.2 | N141 S155 R1147 | N141-E240 PolarHBondContact N-O 3.23Å; N141-E240 VanDerWaalsContact N-O 3.17Å; S155-E240 PolarHBondContact OG-N 3.31Å; S155-E240 VanDerWaalsContact OG-N 3.1Å; E240-R1147 IonicContact OE1-NH2 2.71Å; E240-R1147 PolarHBondContact OE1-NH2 2.79Å; E240-R1147 VanDerWaalsContact OE1-NH2 3.13Å |
| 241 | W | 91.3 | Very high | 88.8 | Confident | 68 Ų | 68 | 22.2 Ų | 22.2 | 26% | 0.258 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 152.9 | 174.5 | 54.4 | -90.8 | 0 | 0 | 0 | 112.2 | L139 S155 T239 F243 | L139-W241 CarbonylContact O-C 3.58Å; L139-W241 WeakPolarHBondContact O-CA 3.43Å; S155-W241 PolarHBondContact N-O 3Å; S155-W241 PolarHBondContact OG-N 2.98Å; S155-W241 PolarHBondContact OG-O 3.15Å; T239-W241 VanDerWaalsContact C-N 3.34Å; T239-W241 WeakPolarHBondContact CG2-O 3.5Å; T239-W241 PolarHBondContact O-N 3.23Å; W241-F243 HydrophobicContact CD2-CE2 4.47Å; W241-F243 AromaticContact CE3-CD2 3.62Å; W241-F243 HydrophobicContact CE3-CD2 3.62Å; W241-F243 AromaticContact CE3-CE2 3.57Å; W241-F243 HydrophobicContact CE3-CE2 3.57Å; W241-F243 HydrophobicContact CH2-CE2 4.42Å; W241-F243 AromaticContact CZ3-CD2 3.53Å; W241-F243 HydrophobicContact CZ3-CD2 3.53Å; W241-F243 AromaticContact CZ3-CE2 3.57Å; W241-F243 HydrophobicContact CZ3-CE2 3.57Å |
| 242 | C | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 151.8 | 165.1 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | K138 L139 L151 C153 | K138-C242 WeakPolarHBondContact CA-O 3.46Å; L139-C242 PolarHBondContact N-O 3.14Å; L139-C242 PolarHBondContact O-N 3.42Å; L151-C242 HydrophobicContact CD1-CB 3.85Å; C153-C242 WeakPolarHBondContact O-CA 3.42Å |
| 243 | F | 93.4 | Very high | 88.7 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.4 | 170.8 | -68.6 | -89.7 | 0 | 0 | 0 | 109.8 | L123 I136 I137 K138 L152 C153 L192 W241 | L123-F243 HydrophobicContact CD1-CE1 4.48Å; L123-F243 HydrophobicContact CD2-CE1 4.22Å; I136-F243 HydrophobicContact CG2-CB 4.45Å; I136-F243 HydrophobicContact CG2-CD1 4.22Å; I137-F243 WeakPolarHBondContact O-CA 3.21Å; K138-F243 HydrophobicContact CB-CD1 3.87Å; K138-F243 HydrophobicContact CB-CE1 3.71Å; K138-F243 HydrophobicContact CB-CZ 4.4Å; K138-F243 HydrophobicContact CD-CE1 4Å; K138-F243 HydrophobicContact CD-CZ 3.86Å; K138-F243 HydrophobicContact CG-CD1 4.28Å; K138-F243 HydrophobicContact CG-CE1 3.96Å; K138-F243 HydrophobicContact CG-CZ 4.15Å; L152-F243 PolarHBondContact N-O 3.11Å; C153-F243 PolarHBondContact N-O 3.09Å; C153-F243 PolarHBondContact O-N 3.44Å; C153-F243 WeakPolarHBondContact SG-CD2 2.94Å; L192-F243 HydrophobicContact CD1-CB 4.38Å; L192-F243 HydrophobicContact CD1-CD1 3.69Å; L192-F243 HydrophobicContact CD1-CD2 3.82Å; L192-F243 HydrophobicContact CD1-CE1 3.75Å; L192-F243 HydrophobicContact CD1-CE2 3.89Å; L192-F243 HydrophobicContact CD1-CG 3.71Å; L192-F243 HydrophobicContact CD1-CZ 3.84Å; W241-F243 HydrophobicContact CD2-CE2 4.47Å; W241-F243 AromaticContact CE3-CD2 3.62Å; W241-F243 HydrophobicContact CE3-CD2 3.62Å; W241-F243 AromaticContact CE3-CE2 3.57Å; W241-F243 HydrophobicContact CE3-CE2 3.57Å; W241-F243 HydrophobicContact CH2-CE2 4.42Å; W241-F243 AromaticContact CZ3-CD2 3.53Å; W241-F243 HydrophobicContact CZ3-CD2 3.53Å; W241-F243 AromaticContact CZ3-CE2 3.57Å; W241-F243 HydrophobicContact CZ3-CE2 3.57Å |
| 244 | G | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I136 I137 L150 | I136-G244 CarbonylContact C-O 3.42Å; I136-G244 WeakPolarHBondContact CA-O 3.41Å; I137-G244 PolarHBondContact N-O 3.48Å; I137-G244 PolarHBondContact O-N 2.88Å; L150-G244 CarbonylContact O-C 3.3Å; L150-G244 WeakPolarHBondContact O-CA 3Å |
| 245 | M | 93.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.6 | -179 | 175 | -179.6 | 167.9 | 0 | 0 | 110.7 | V16 A18 I149 L150 L152 F195 V199 I247 | V16-M245 HydrophobicContact CB-CE 3.94Å; V16-M245 HydrophobicContact CG1-CE 3.42Å; V16-M245 VanDerWaalsContact CG1-CE 3.42Å; V16-M245 WeakPolarHBondContact O-CE 3.41Å; A18-M245 HydrophobicContact CB-CE 4.04Å; A18-M245 HydrophobicContact CB-SD 3.72Å; I149-M245 CarbonylContact C-O 3.59Å; I149-M245 VanDerWaalsContact CA-O 3.23Å; I149-M245 WeakPolarHBondContact CA-O 3.46Å; L150-M245 PolarHBondContact N-O 3.37Å; L150-M245 PolarHBondContact O-N 3.27Å; L152-M245 HydrophobicContact CD1-CB 4.16Å; L152-M245 HydrophobicContact CG-CB 4.44Å; F195-M245 HydrophobicContact CE1-SD 4.44Å; V199-M245 HydrophobicContact CG2-CE 4.24Å; V199-M245 HydrophobicContact CG2-SD 4.23Å; M245-I247 PolarHBondContact O-N 3.1Å |
| 246 | V | 94.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 121.1 | -177.1 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | V131 R132 G134 D135 I137 A147 I149 A249 | V131-V246 HydrophobicContact CG1-CG2 3.71Å; R132-V246 WeakPolarHBondContact O-CB 3.14Å; G134-V246 PolarHBondContact N-O 2.88Å; D135-V246 WeakPolarHBondContact O-CG2 3.25Å; D135-V246 PolarHBondContact O-N 3.39Å; I137-V246 HydrophobicContact CD1-CG2 4.31Å; I137-V246 HydrophobicContact CG2-CG2 3.96Å; A147-V246 HydrophobicContact CB-CG1 3.75Å; A147-V246 HydrophobicContact CB-CG2 4.41Å; I149-V246 HydrophobicContact CG2-CB 4.39Å; I149-V246 HydrophobicContact CG2-CG2 3.81Å; V246-A249 HydrophobicContact CG1-CB 4.38Å |
| 247 | I | 93.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -56.5 | 177.7 | -56.2 | -57.1 | 0 | 0 | 0 | 110.8 | R14 V16 V133 D148 L150 V199 L229 M245 | R14-I247 VanDerWaalsContact CZ-O 3.23Å; R14-I247 PolarHBondContact NE-O 3.24Å; R14-I247 PolarHBondContact NH2-O 3.39Å; V16-I247 HydrophobicContact CB-CD1 4.48Å; V133-I247 WeakPolarHBondContact CG1-O 3.43Å; D148-I247 PolarHBondContact O-N 3.4Å; L150-I247 HydrophobicContact CB-CD1 4.19Å; L150-I247 HydrophobicContact CB-CG1 3.99Å; V199-I247 HydrophobicContact CB-CD1 4.21Å; V199-I247 HydrophobicContact CG1-CD1 4.01Å; V199-I247 HydrophobicContact CG2-CD1 4.3Å; L229-I247 HydrophobicContact CD1-CG1 4.41Å; M245-I247 PolarHBondContact O-N 3.1Å |
| 248 | F | 93.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.1 | 178.4 | -51.5 | -63.7 | 0 | 0 | 0 | 111.2 | R14 A147 D148 P204 F211 T253 | R14-F248 VanDerWaalsContact CD-CE1 3.4Å; A147-F248 WeakPolarHBondContact CB-O 3.37Å; D148-F248 HydrophobicContact CB-CB 4Å; D148-F248 HydrophobicContact CB-CD2 4Å; D148-F248 HydrophobicContact CB-CG 4.49Å; D148-F248 PolarHBondContact N-O 2.94Å; D148-F248 PolarHBondContact O-N 2.8Å; P204-F248 HydrophobicContact CB-CD1 3.87Å; P204-F248 HydrophobicContact CB-CE1 3.85Å; P204-F248 HydrophobicContact CB-CG 4.47Å; P204-F248 HydrophobicContact CB-CZ 4.44Å; P204-F248 HydrophobicContact CG-CE1 4.48Å; F211-F248 HydrophobicContact CD2-CE2 4.34Å; F211-F248 AromaticContact CE2-CE2 3.96Å; F211-F248 HydrophobicContact CE2-CE2 3.96Å; F211-F248 HydrophobicContact CE2-CZ 4.27Å; F248-T253 HydrophobicContact CB-CG2 4.5Å; F248-T253 WeakPolarHBondContact O-CG2 3.46Å |
| 249 | A | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -129.5 | 151.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N32 V133 V246 L251 Q252 | N32-A249 HydrophobicContact CB-CB 4.09Å; V133-A249 HydrophobicContact CG2-CB 3.83Å; V246-A249 HydrophobicContact CG1-CB 4.38Å; A249-L251 PolarHBondContact O-N 2.94Å; A249-Q252 PolarHBondContact O-N 3.42Å | ||
| 250 | G | 88.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | 59.4 | -129.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | N31 N32 Q252 T253 | N31-G250 WeakPolarHBondContact O-CA 3.49Å; N32-G250 PolarHBondContact OD1-N 2.97Å; G250-Q252 PolarHBondContact O-N 2.9Å; G250-T253 PolarHBondContact O-N 3.37Å; G250-T253 PolarHBondContact O-OG1 2.97Å |
| 251 | L | 84.1 | Confident | 85.3 | Confident | 116 Ų | 116 | 34.2 Ų | 34.2 | 61% | 0.607 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -66.6 | -13.4 | -178.7 | -65.9 | 174.8 | 0 | 0 | 0 | 114 | A249 M256 | A249-L251 PolarHBondContact O-N 2.94Å; L251-M256 HydrophobicContact CD2-CE 4.05Å |
| 252 | Q | 88.8 | Confident | 84 | Confident | 44 Ų | 44 | 35.3 Ų | 35.3 | 21% | 0.206 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -87.7 | -7.5 | 177.6 | -67.9 | -175.6 | -33.3 | 0 | 0 | 113.2 | A30 P204 A249 G250 | A30-Q252 HydrophobicContact CB-CG 3.87Å; P204-Q252 HydrophobicContact CB-CB 4.12Å; P204-Q252 WeakPolarHBondContact CB-O 3.41Å; P204-Q252 HydrophobicContact CG-CB 4.23Å; P204-Q252 HydrophobicContact CG-CG 4.26Å; A249-Q252 PolarHBondContact O-N 3.42Å; G250-Q252 PolarHBondContact O-N 2.9Å |
| 253 | T | 89.1 | Confident | 82.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -65.6 | 146.6 | 174.8 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | D148 R232 F248 G250 L255 M256 Q257 | D148-T253 VanDerWaalsContact OD2-CA 3.24Å; D148-T253 WeakPolarHBondContact OD2-CA 3.45Å; R232-T253 HydrophobicContact CB-CG2 4.12Å; F248-T253 HydrophobicContact CB-CG2 4.5Å; F248-T253 WeakPolarHBondContact O-CG2 3.46Å; G250-T253 PolarHBondContact O-N 3.37Å; G250-T253 PolarHBondContact O-OG1 2.97Å; T253-L255 PolarHBondContact O-N 3.43Å; T253-M256 PolarHBondContact O-N 2.98Å; T253-M256 VanDerWaalsContact O-N 3.1Å; T253-M256 WeakPolarHBondContact OG1-CB 3.36Å; T253-M256 VanDerWaalsContact OG1-CG 3.26Å; T253-M256 WeakPolarHBondContact OG1-CG 3.46Å; T253-Q257 PolarHBondContact O-N 3Å |
| 254 | K | 86.5 | Confident | 81.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.2 | -38.1 | -176.7 | -61.7 | -164.3 | 177.3 | -176.8 | 0 | 112.8 | D148 N205 K207 L208 K210 L231 Q257 N258 | D148-K254 PolarHBondContact OD2-N 3.25Å; N205-K254 WeakPolarHBondContact O-CG 3.37Å; K207-K254 WeakPolarHBondContact O-CD 3.36Å; K207-K254 WeakPolarHBondContact O-CE 3.38Å; K207-K254 PolarHBondContact O-NZ 2.68Å; L208-K254 HydrophobicContact CD2-CB 4.06Å; K210-K254 PolarHBondContact O-NZ 2.94Å; L231-K254 HydrophobicContact CD1-CD 4.48Å; L231-K254 HydrophobicContact CD2-CB 4.48Å; L231-K254 HydrophobicContact CD2-CD 3.82Å; L231-K254 HydrophobicContact CD2-CG 4.22Å; K254-Q257 PolarHBondContact O-N 3.34Å; K254-N258 PolarHBondContact O-N 3.32Å; K254-N258 PolarHBondContact O-ND2 3.16Å; K254-N258 VanDerWaalsContact O-ND2 3.11Å |
| 255 | L | 82.3 | Confident | 80.8 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.1 | -52.6 | 175 | -178.4 | 69.4 | 0 | 0 | 0 | 111.1 | L168 R232 T253 Q257 N258 C259 | L168-L255 HydrophobicContact CD2-CB 4.08Å; L168-L255 HydrophobicContact CD2-CD1 3.93Å; L168-L255 HydrophobicContact CG-CD1 4.27Å; R232-L255 HydrophobicContact CG-CD2 4.42Å; T253-L255 PolarHBondContact O-N 3.43Å; L255-Q257 VanDerWaalsContact C-N 3.31Å; L255-Q257 PolarHBondContact O-N 3.36Å; L255-N258 PolarHBondContact O-N 3.14Å; L255-N258 VanDerWaalsContact O-N 3.09Å; L255-C259 PolarHBondContact O-N 2.97Å; L255-C259 PolarHBondContact O-SG 3.25Å |
| 256 | M | 80 | Confident | 80.1 | Confident | 42 Ų | 42 | 58 Ų | 58 | 21% | 0.207 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.1 | -30.2 | -176.4 | -68 | -57.6 | -60.7 | 0 | 0 | 113.1 | I34 L251 T253 N258 | I34-M256 HydrophobicContact CD1-CE 4.18Å; I34-M256 HydrophobicContact CD1-CG 4.31Å; I34-M256 HydrophobicContact CD1-SD 3.86Å; I34-M256 HydrophobicContact CG2-CE 4.32Å; L251-M256 HydrophobicContact CD2-CE 4.05Å; T253-M256 PolarHBondContact O-N 2.98Å; T253-M256 VanDerWaalsContact O-N 3.1Å; T253-M256 WeakPolarHBondContact OG1-CB 3.36Å; T253-M256 VanDerWaalsContact OG1-CG 3.26Å; T253-M256 WeakPolarHBondContact OG1-CG 3.46Å; M256-N258 VanDerWaalsContact C-N 3.33Å |
| 257 | Q | 80.4 | Confident | 79.7 | Confident | 68 Ų | 68 | 58 Ų | 58 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.4 | -35.6 | 172.4 | -69.6 | -161.3 | -8 | 0 | 0 | 112.3 | P204 N205 N206 T253 K254 L255 | P204-Q257 PolarHBondContact O-NE2 3.17Å; P204-Q257 PolarHBondContact O-OE1 3.43Å; N205-Q257 VanDerWaalsContact CA-OE1 3.24Å; N205-Q257 PolarHBondContact O-OE1 3.44Å; N205-Q257 VanDerWaalsContact O-OE1 3.14Å; N206-Q257 HydrophobicContact CB-CB 4.22Å; T253-Q257 PolarHBondContact O-N 3Å; K254-Q257 PolarHBondContact O-N 3.34Å; L255-Q257 VanDerWaalsContact C-N 3.31Å; L255-Q257 PolarHBondContact O-N 3.36Å |
| 258 | N | 74.1 | Confident | 79.2 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -77.9 | -29.8 | 176.6 | -79.3 | -49.7 | 0 | 0 | 0 | 113.6 | N206 K254 L255 M256 G260 | N206-N258 PolarHBondContact O-ND2 2.86Å; N206-N258 PolarHBondContact O-OD1 3.3Å; K254-N258 PolarHBondContact O-N 3.32Å; K254-N258 PolarHBondContact O-ND2 3.16Å; K254-N258 VanDerWaalsContact O-ND2 3.11Å; L255-N258 PolarHBondContact O-N 3.14Å; L255-N258 VanDerWaalsContact O-N 3.09Å; M256-N258 VanDerWaalsContact C-N 3.33Å; N258-G260 PolarHBondContact O-N 3.12Å |
| 259 | C | 67.8 | Low | 78.8 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 17% | 0.169 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -24.2 | -179.8 | -70.8 | 0 | 0 | 0 | 0 | 113.9 | L255 K822 | L255-C259 PolarHBondContact O-N 2.97Å; L255-C259 PolarHBondContact O-SG 3.25Å; C259-K822 WeakPolarHBondContact O-CD 3.17Å; C259-K822 PolarHBondContact O-NZ 3.49Å |
| 260 | G | 65.8 | Low | 78.5 | Confident | 48 Ų | 48 | 61 Ų | 61 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | trans | 63.4 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N258 K822 | N258-G260 PolarHBondContact O-N 3.12Å; G260-K822 PolarHBondContact O-NZ 3.39Å | ||
| 261 | R | 66 | Low | 78.3 | Confident | 236 Ų | 236 | 66.6 Ų | 66.6 | 89% | 0.891 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 133.6 | 177.7 | -68.6 | -176.5 | 175.9 | 177.5 | -0.3 | 111.1 | K263 | R261-K263 PolarHBondContact O-N 3.16Š|
| 262 | T | 64.2 | Low | 78.5 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 55% | 0.552 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 119.5 | 172.9 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 263 | K | 65.8 | Low | 78.2 | Confident | 171 Ų | 171 | 61 Ų | 61 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -92.9 | 143 | 173.2 | -66.7 | 178.8 | -178.3 | 172.7 | 0 | 109.3 | R261 K265 | R261-K263 PolarHBondContact O-N 3.16Å; K263-K265 PolarHBondContact O-N 3.32Å |
| 264 | F | 68.4 | Low | 78 | Confident | 121 Ų | 121 | 64.1 Ų | 64.1 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 120.7 | 171.6 | -176.3 | -97.1 | 0 | 0 | 0 | 109.1 | R266 | F264-R266 HydrophobicContact CD1-CG 3.85Å; F264-R266 HydrophobicContact CE1-CG 3.82Å |
| 265 | K | 77.8 | Confident | 78.1 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 15% | 0.148 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 137 | 179.5 | -53.6 | -166 | -172.3 | 179.5 | 0 | 109.1 | K263 L379 I821 A824 H825 D843 | K263-K265 PolarHBondContact O-N 3.32Å; K265-L379 HydrophobicContact CB-CD1 4.23Å; K265-L379 HydrophobicContact CB-CD2 4Å; K265-L379 HydrophobicContact CD-CD1 4.09Å; K265-I821 PolarHBondContact NZ-O 3.43Å; K265-A824 WeakPolarHBondContact CE-O 3.46Å; K265-A824 PolarHBondContact NZ-O 3.25Å; K265-H825 WeakPolarHBondContact CD-O 3.37Å; K265-D843 WeakPolarHBondContact CE-OD2 3.34Å; K265-D843 IonicContact NZ-OD2 3.89Å; K265-D843 PolarHBondContact NZ-OD2 3.01Å |
| 266 | R | 79.1 | Confident | 78.3 | Confident | 156 Ų | 156 | 65.9 Ų | 65.9 | 59% | 0.589 | 32% | 0.32 | S | S | * | . | trans | -122.3 | 137.4 | 179.9 | -73 | -174.5 | 179.5 | 178.5 | 0.2 | 109.2 | F264 | F264-R266 HydrophobicContact CD1-CG 3.85Å; F264-R266 HydrophobicContact CE1-CG 3.82Å | ||
| 267 | T | 85.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -76.9 | 159.3 | -174.9 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | I269 D270 K271 R350 T378 L379 E381 E382 | T267-I269 VanDerWaalsContact C-N 3.25Å; T267-I269 PolarHBondContact O-N 2.85Å; T267-D270 PolarHBondContact O-N 2.89Å; T267-D270 PolarHBondContact OG1-N 2.69Å; T267-D270 VanDerWaalsContact OG1-N 3.1Å; T267-D270 PolarHBondContact OG1-OD2 2.7Å; T267-K271 PolarHBondContact O-N 3.42Å; T267-R350 PolarHBondContact OG1-NH2 3.06Å; T267-T378 WeakPolarHBondContact CG2-O 3.37Å; T267-L379 HydrophobicContact CG2-CD2 3.84Å; T267-E381 HydrophobicContact CG2-CG 4.49Å; T267-E381 WeakPolarHBondContact CG2-OE1 3.43Å; T267-E381 PolarHBondContact OG1-OE1 3.47Å; T267-E381 VanDerWaalsContact OG1-OE1 3.14Å; T267-E382 WeakPolarHBondContact CA-OE1 3.49Å; T267-E382 HydrophobicContact CG2-CG 3.7Å | ||
| 268 | S | 84.1 | Confident | 78.8 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.2 | -43 | 168.5 | 70.5 | 0 | 0 | 0 | 0 | 111.6 | K271 L272 E382 Q385 | S268-K271 PolarHBondContact O-N 3.09Å; S268-L272 PolarHBondContact O-N 3.11Å; S268-E382 PolarHBondContact N-OE1 3.38Å; S268-Q385 PolarHBondContact OG-NE2 2.64Å; S268-Q385 PolarHBondContact OG-OE1 2.82Å |
| 269 | I | 85.9 | Confident | 79.5 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.6 | -63.3 | -165.2 | 0 | 0 | 0 | 111.3 | T267 K271 L272 M273 E381 Y864 M867 L871 | T267-I269 VanDerWaalsContact C-N 3.25Å; T267-I269 PolarHBondContact O-N 2.85Å; I269-K271 VanDerWaalsContact C-N 3.32Å; I269-K271 PolarHBondContact O-N 3.45Å; I269-L272 PolarHBondContact O-N 3.41Å; I269-M273 WeakPolarHBondContact O-CB 3.13Å; I269-M273 PolarHBondContact O-N 2.86Å; I269-E381 HydrophobicContact CD1-CB 4.27Å; I269-E381 HydrophobicContact CD1-CG 3.94Å; I269-E381 HydrophobicContact CG1-CG 4.33Å; I269-Y864 HydrophobicContact CD1-CD2 4.19Å; I269-Y864 HydrophobicContact CD1-CE2 4.15Å; I269-M867 HydrophobicContact CD1-CB 4.44Å; I269-M867 HydrophobicContact CD1-CG 3.87Å; I269-L871 HydrophobicContact CG2-CD1 3.61Å |
| 270 | D | 83.9 | Confident | 80.5 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 174.9 | -77 | -24 | 0 | 0 | 0 | 111.9 | T267 N274 R350 | T267-D270 PolarHBondContact O-N 2.89Å; T267-D270 PolarHBondContact OG1-N 2.69Å; T267-D270 VanDerWaalsContact OG1-N 3.1Å; T267-D270 PolarHBondContact OG1-OD2 2.7Å; D270-N274 VanDerWaalsContact O-CG 3.31Å; D270-N274 PolarHBondContact O-N 3.45Å; D270-N274 PolarHBondContact O-ND2 3.06Å; D270-R350 VanDerWaalsContact CG-NH2 3.34Å; D270-R350 IonicContact OD1-CZ 2.93Å; D270-R350 IonicContact OD1-NH1 3.05Å; D270-R350 PolarHBondContact OD1-NH1 3.17Å; D270-R350 IonicContact OD1-NH2 3.08Å; D270-R350 PolarHBondContact OD1-NH2 2.91Å; D270-R350 IonicContact OD2-NH1 3.56Å; D270-R350 IonicContact OD2-NH2 3.89Å |
| 271 | K | 85.9 | Confident | 81.6 | Confident | 118 Ų | 118 | 66.1 Ų | 66.1 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 176.6 | -65.7 | 173.2 | -173.1 | 167.3 | 0 | 111.2 | T267 S268 I269 T275 | T267-K271 PolarHBondContact O-N 3.42Å; S268-K271 PolarHBondContact O-N 3.09Å; I269-K271 VanDerWaalsContact C-N 3.32Å; I269-K271 PolarHBondContact O-N 3.45Å; K271-T275 PolarHBondContact O-N 3.33Å; K271-T275 VanDerWaalsContact O-N 3.16Å; K271-T275 PolarHBondContact O-OG1 3.47Å |
| 272 | L | 86.5 | Confident | 82.7 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 17% | 0.168 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.8 | -50.1 | 175.7 | 179.9 | 63.6 | 0 | 0 | 0 | 110.8 | S268 I269 N274 T275 L276 F948 K950 | S268-L272 PolarHBondContact O-N 3.11Å; I269-L272 PolarHBondContact O-N 3.41Å; L272-N274 VanDerWaalsContact C-N 3.33Å; L272-N274 PolarHBondContact O-N 2.84Å; L272-T275 CarbonylContact O-C 3.5Å; L272-T275 WeakPolarHBondContact O-CA 3.38Å; L272-T275 WeakPolarHBondContact O-CB 3.22Å; L272-T275 PolarHBondContact O-N 3.08Å; L272-L276 HydrophobicContact CD1-CD1 4.37Å; L272-L276 HydrophobicContact CD1-CD2 4.41Å; L272-L276 HydrophobicContact CD1-CG 4.17Å; L272-L276 HydrophobicContact CG-CD1 4Å; L272-L276 HydrophobicContact CG-CG 4.21Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 2.92Å; L272-F948 HydrophobicContact CD2-CD1 3.62Å; L272-F948 HydrophobicContact CD2-CE1 3.79Å; L272-K950 HydrophobicContact CD1-CG 4.06Å |
| 273 | M | 84.3 | Confident | 83.9 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 5% | 0.054 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57 | -44.4 | 179.1 | -178.7 | 177 | 52.7 | 0 | 0 | 111.8 | I269 T275 L276 V277 L342 Y343 | I269-M273 WeakPolarHBondContact O-CB 3.13Å; I269-M273 PolarHBondContact O-N 2.86Å; M273-T275 VanDerWaalsContact C-N 3.29Å; M273-T275 PolarHBondContact O-N 3.18Å; M273-L276 PolarHBondContact O-N 2.59Å; M273-V277 HydrophobicContact CG-CG2 4.41Å; M273-V277 WeakPolarHBondContact O-CB 3.43Å; M273-V277 VanDerWaalsContact O-CG2 3.29Å; M273-V277 WeakPolarHBondContact O-CG2 3.48Å; M273-V277 PolarHBondContact O-N 2.71Å; M273-L342 HydrophobicContact CG-CD2 4.28Å; M273-L342 HydrophobicContact SD-CD2 3.85Å; M273-L342 HydrophobicContact SD-CG 4.15Å; M273-Y343 HydrophobicContact CE-CD1 3.63Å; M273-Y343 HydrophobicContact CE-CE1 3.29Å; M273-Y343 HydrophobicContact CG-CE1 4.35Å; M273-Y343 HydrophobicContact SD-CD1 3.94Å; M273-Y343 HydrophobicContact SD-CE1 3.59Å; M273-Y343 VanDerWaalsContact SD-CE1 3.59Å |
| 274 | N | 84.6 | Confident | 85.1 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 35% | 0.348 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.5 | -39.2 | 175.2 | -72.7 | -36.7 | 0 | 0 | 0 | 112.3 | D270 L272 L278 | D270-N274 VanDerWaalsContact O-CG 3.31Å; D270-N274 PolarHBondContact O-N 3.45Å; D270-N274 PolarHBondContact O-ND2 3.06Å; L272-N274 VanDerWaalsContact C-N 3.33Å; L272-N274 PolarHBondContact O-N 2.84Å; N274-L278 WeakPolarHBondContact O-CG 3.46Å; N274-L278 PolarHBondContact O-N 2.99Å |
| 275 | T | 87.1 | Confident | 86.2 | Confident | 55 Ų | 55 | 47.3 Ų | 47.3 | 34% | 0.337 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.5 | -43.9 | 176.5 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | K271 L272 M273 L278 W279 | K271-T275 PolarHBondContact O-N 3.33Å; K271-T275 VanDerWaalsContact O-N 3.16Å; K271-T275 PolarHBondContact O-OG1 3.47Å; L272-T275 CarbonylContact O-C 3.5Å; L272-T275 WeakPolarHBondContact O-CA 3.38Å; L272-T275 WeakPolarHBondContact O-CB 3.22Å; L272-T275 PolarHBondContact O-N 3.08Å; M273-T275 VanDerWaalsContact C-N 3.29Å; M273-T275 PolarHBondContact O-N 3.18Å; T275-L278 PolarHBondContact O-N 3.23Å; T275-W279 HydrophobicContact CG2-CZ2 4.49Å; T275-W279 PolarHBondContact O-N 3.35Å |
| 276 | L | 86.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 178 | -66.4 | 179.5 | 0 | 0 | 0 | 111.6 | L272 M273 L278 W279 I280 F875 F948 F953 | L272-L276 HydrophobicContact CD1-CD1 4.37Å; L272-L276 HydrophobicContact CD1-CD2 4.41Å; L272-L276 HydrophobicContact CD1-CG 4.17Å; L272-L276 HydrophobicContact CG-CD1 4Å; L272-L276 HydrophobicContact CG-CG 4.21Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 2.92Å; M273-L276 PolarHBondContact O-N 2.59Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 3.08Å; L276-W279 HydrophobicContact CD2-CE3 3.87Å; L276-W279 HydrophobicContact CD2-CZ3 4.08Å; L276-W279 WeakPolarHBondContact O-CB 3.21Å; L276-W279 PolarHBondContact O-N 2.93Å; L276-W279 VanDerWaalsContact O-N 3.1Å; L276-I280 VanDerWaalsContact O-CG1 3.31Å; L276-I280 WeakPolarHBondContact O-CG1 3.31Å; L276-I280 PolarHBondContact O-N 2.9Å; L276-F875 HydrophobicContact CD1-CE2 4.34Å; L276-F948 HydrophobicContact CD1-CE1 3.83Å; L276-F948 HydrophobicContact CD1-CZ 4.02Å; L276-F953 HydrophobicContact CB-CE2 4.5Å; L276-F953 HydrophobicContact CD1-CB 4.34Å; L276-F953 HydrophobicContact CD1-CD2 3.83Å; L276-F953 HydrophobicContact CD1-CE2 4.37Å; L276-F953 HydrophobicContact CD1-CG 4.08Å; L276-F953 HydrophobicContact CD2-CB 4.11Å; L276-F953 HydrophobicContact CD2-CD1 3.67Å; L276-F953 HydrophobicContact CD2-CD2 4.12Å; L276-F953 HydrophobicContact CD2-CE1 4.1Å; L276-F953 HydrophobicContact CD2-CG 3.68Å; L276-F953 HydrophobicContact CD2-CZ 4.5Å; L276-F953 HydrophobicContact CG-CD2 4.43Å; L276-F953 HydrophobicContact CG-CG 4.44Å |
| 277 | V | 84.2 | Confident | 87.4 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -37.4 | 177.6 | 166 | 0 | 0 | 0 | 0 | 111.6 | M273 I280 F281 V338 | M273-V277 HydrophobicContact CG-CG2 4.41Å; M273-V277 WeakPolarHBondContact O-CB 3.43Å; M273-V277 VanDerWaalsContact O-CG2 3.29Å; M273-V277 WeakPolarHBondContact O-CG2 3.48Å; M273-V277 PolarHBondContact O-N 2.71Å; V277-I280 PolarHBondContact O-N 3.29Å; V277-F281 HydrophobicContact CG1-CD2 3.82Å; V277-F281 HydrophobicContact CG1-CE2 3.3Å; V277-F281 HydrophobicContact CG1-CZ 3.88Å; V277-F281 WeakPolarHBondContact O-CD2 3.46Å; V277-F281 WeakPolarHBondContact O-CG 3.2Å; V277-F281 PolarHBondContact O-N 2.7Å; V277-V338 HydrophobicContact CG1-CG1 4.17Å |
| 278 | L | 86.2 | Confident | 87.7 | Confident | 97 Ų | 97 | 42.7 Ų | 42.7 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 172.4 | -69.4 | 173.4 | 0 | 0 | 0 | 112.5 | V56 N274 T275 L276 F281 A282 | V56-L278 HydrophobicContact CG1-CD2 4.39Å; N274-L278 WeakPolarHBondContact O-CG 3.46Å; N274-L278 PolarHBondContact O-N 2.99Å; T275-L278 PolarHBondContact O-N 3.23Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 3.08Å; L278-F281 HydrophobicContact CD2-CD2 4.45Å; L278-F281 PolarHBondContact O-N 3.16Å; L278-A282 PolarHBondContact O-N 3.41Å |
| 279 | W | 89.8 | Confident | 88.1 | Confident | 100 Ų | 100 | 44.1 Ų | 44.1 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 174.3 | -67.3 | -7.2 | 0 | 0 | 0 | 112.3 | T275 L276 F281 A282 F283 K950 F954 | T275-W279 HydrophobicContact CG2-CZ2 4.49Å; T275-W279 PolarHBondContact O-N 3.35Å; L276-W279 HydrophobicContact CD2-CE3 3.87Å; L276-W279 HydrophobicContact CD2-CZ3 4.08Å; L276-W279 WeakPolarHBondContact O-CB 3.21Å; L276-W279 PolarHBondContact O-N 2.93Å; L276-W279 VanDerWaalsContact O-N 3.1Å; W279-F281 VanDerWaalsContact C-N 3.34Å; W279-A282 PolarHBondContact O-N 2.88Å; W279-F283 WeakPolarHBondContact O-CB 3.27Å; W279-F283 PolarHBondContact O-N 3.23Å; W279-K950 HydrophobicContact CH2-CB 4.29Å; W279-K950 HydrophobicContact CH2-CD 3.78Å; W279-K950 HydrophobicContact CH2-CG 3.99Å; W279-K950 HydrophobicContact CZ3-CB 4.22Å; W279-K950 HydrophobicContact CZ3-CD 4.43Å; W279-K950 HydrophobicContact CZ3-CG 4.14Å; W279-F954 HydrophobicContact CE3-CE2 4.18Å; W279-F954 AromaticContact CE3-CZ 3.92Å; W279-F954 HydrophobicContact CE3-CZ 3.92Å; W279-F954 HydrophobicContact CH2-CE2 4.16Å; W279-F954 HydrophobicContact CH2-CZ 4.42Å; W279-F954 AromaticContact CZ3-CE2 3.51Å; W279-F954 HydrophobicContact CZ3-CE2 3.51Å; W279-F954 AromaticContact CZ3-CZ 3.69Å; W279-F954 HydrophobicContact CZ3-CZ 3.69Å |
| 280 | I | 88.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 175 | -66.1 | 167.4 | 0 | 0 | 0 | 110.7 | L276 V277 A282 F283 L284 V337 V338 F875 F879 F953 | L276-I280 VanDerWaalsContact O-CG1 3.31Å; L276-I280 WeakPolarHBondContact O-CG1 3.31Å; L276-I280 PolarHBondContact O-N 2.9Å; V277-I280 PolarHBondContact O-N 3.29Å; I280-A282 PolarHBondContact O-N 2.81Å; I280-F283 WeakPolarHBondContact O-CB 3.49Å; I280-F283 PolarHBondContact O-N 3.11Å; I280-L284 WeakPolarHBondContact O-CB 3.23Å; I280-L284 PolarHBondContact O-N 3.38Å; I280-V337 HydrophobicContact CG2-CB 4.34Å; I280-V337 HydrophobicContact CG2-CG1 3.51Å; I280-V338 HydrophobicContact CB-CG2 4.34Å; I280-V338 HydrophobicContact CG2-CG2 3.5Å; I280-F875 HydrophobicContact CD1-CD1 4.11Å; I280-F875 HydrophobicContact CD1-CE1 3.58Å; I280-F875 HydrophobicContact CD1-CZ 4.44Å; I280-F879 HydrophobicContact CD1-CZ 4.47Å; I280-F879 HydrophobicContact CG1-CZ 4.26Å; I280-F953 HydrophobicContact CD1-CE2 4.12Å; I280-F953 HydrophobicContact CD1-CZ 3.92Å; I280-F953 HydrophobicContact CG1-CZ 3.82Å |
| 281 | F | 88 | Confident | 88.8 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.2 | -74.9 | -48.6 | 0 | 0 | 0 | 112.4 | V56 Y60 V277 L278 W279 F283 L284 I285 V338 | V56-F281 HydrophobicContact CG1-CE2 4.18Å; Y60-F281 AromaticContact CD1-CE1 3.43Å; Y60-F281 HydrophobicContact CD1-CE1 3.43Å; Y60-F281 VanDerWaalsContact CD1-CE1 3.43Å; Y60-F281 AromaticContact CD1-CZ 3.64Å; Y60-F281 HydrophobicContact CD1-CZ 3.64Å; Y60-F281 HydrophobicContact CD2-CD1 4.03Å; Y60-F281 AromaticContact CD2-CE1 3.3Å; Y60-F281 HydrophobicContact CD2-CE1 3.3Å; Y60-F281 AromaticContact CD2-CZ 3.84Å; Y60-F281 HydrophobicContact CD2-CZ 3.84Å; Y60-F281 AromaticContact CE1-CE1 3.55Å; Y60-F281 HydrophobicContact CE1-CE1 3.55Å; Y60-F281 HydrophobicContact CE1-CZ 4.21Å; Y60-F281 AromaticContact CE2-CD1 3.93Å; Y60-F281 HydrophobicContact CE2-CD1 3.93Å; Y60-F281 AromaticContact CE2-CE1 3.44Å; Y60-F281 HydrophobicContact CE2-CE1 3.44Å; Y60-F281 VanDerWaalsContact CE2-CE1 3.44Å; Y60-F281 HydrophobicContact CE2-CZ 4.4Å; Y60-F281 HydrophobicContact CG-CD1 4.39Å; Y60-F281 AromaticContact CG-CE1 3.27Å; Y60-F281 HydrophobicContact CG-CE1 3.27Å; Y60-F281 AromaticContact CG-CZ 3.41Å; Y60-F281 HydrophobicContact CG-CZ 3.41Å; Y60-F281 VanDerWaalsContact CG-CZ 3.41Å; Y60-F281 AromaticContact CZ-CE1 3.54Å; V277-F281 HydrophobicContact CG1-CD2 3.82Å; V277-F281 HydrophobicContact CG1-CE2 3.3Å; V277-F281 HydrophobicContact CG1-CZ 3.88Å; V277-F281 WeakPolarHBondContact O-CD2 3.46Å; V277-F281 WeakPolarHBondContact O-CG 3.2Å; V277-F281 PolarHBondContact O-N 2.7Å; L278-F281 HydrophobicContact CD2-CD2 4.45Å; L278-F281 PolarHBondContact O-N 3.16Å; W279-F281 VanDerWaalsContact C-N 3.34Å; F281-F283 VanDerWaalsContact C-N 3.32Å; F281-F283 PolarHBondContact O-N 3.03Å; F281-L284 PolarHBondContact O-N 3.05Å; F281-I285 WeakPolarHBondContact O-CG1 3.43Å; F281-I285 PolarHBondContact O-N 3.26Å; F281-V338 HydrophobicContact CD1-CG2 3.83Å; F281-V338 HydrophobicContact CE1-CB 4.15Å; F281-V338 HydrophobicContact CE1-CG1 4.03Å; F281-V338 HydrophobicContact CE1-CG2 3.57Å; F281-V338 HydrophobicContact CZ-CG1 3.92Å; F281-V338 HydrophobicContact CZ-CG2 4.21Å |
| 282 | A | 89.9 | Confident | 89.1 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 50% | 0.504 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L278 W279 I280 I285 C286 | L278-A282 PolarHBondContact O-N 3.41Å; W279-A282 PolarHBondContact O-N 2.88Å; I280-A282 PolarHBondContact O-N 2.81Å; A282-I285 PolarHBondContact O-N 3.37Å; A282-C286 WeakPolarHBondContact O-CB 3.48Å; A282-C286 PolarHBondContact O-N 2.93Å |
| 283 | F | 90.1 | Very high | 89.3 | Confident | 65 Ų | 65 | 44.1 Ų | 44.1 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63 | -43 | 175.3 | 178 | -102.5 | 0 | 0 | 0 | 112.5 | W279 I280 F281 C286 M287 F879 L883 | W279-F283 WeakPolarHBondContact O-CB 3.27Å; W279-F283 PolarHBondContact O-N 3.23Å; I280-F283 WeakPolarHBondContact O-CB 3.49Å; I280-F283 PolarHBondContact O-N 3.11Å; F281-F283 VanDerWaalsContact C-N 3.32Å; F281-F283 PolarHBondContact O-N 3.03Å; F283-C286 WeakPolarHBondContact O-CB 3.47Å; F283-C286 PolarHBondContact O-N 3.19Å; F283-M287 HydrophobicContact CD2-CE 4.5Å; F283-M287 HydrophobicContact CE1-CE 4.42Å; F283-M287 HydrophobicContact CE1-CG 4.13Å; F283-M287 HydrophobicContact CE2-CE 3.47Å; F283-M287 VanDerWaalsContact CE2-CE 3.47Å; F283-M287 HydrophobicContact CE2-CG 4.28Å; F283-M287 HydrophobicContact CZ-CE 3.42Å; F283-M287 VanDerWaalsContact CZ-CE 3.42Å; F283-M287 HydrophobicContact CZ-CG 4Å; F283-M287 PolarHBondContact O-N 3.11Å; F283-F879 HydrophobicContact CE1-CE1 4.35Å; F283-L883 HydrophobicContact CE1-CD2 4.16Å; F283-L883 HydrophobicContact CZ-CD2 4.29Å |
| 284 | L | 90.5 | Very high | 89.6 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 177 | 175 | 65.4 | 0 | 0 | 0 | 111.8 | Y60 I280 F281 C286 M287 G288 I331 L334 | Y60-L284 HydrophobicContact CE2-CD2 4.42Å; Y60-L284 WeakPolarHBondContact OH-CD2 2.93Å; I280-L284 WeakPolarHBondContact O-CB 3.23Å; I280-L284 PolarHBondContact O-N 3.38Å; F281-L284 PolarHBondContact O-N 3.05Å; L284-C286 VanDerWaalsContact C-N 3.32Å; L284-C286 PolarHBondContact O-N 2.81Å; L284-M287 PolarHBondContact O-N 2.68Å; L284-G288 PolarHBondContact O-N 3.36Å; L284-I331 HydrophobicContact CD1-CD1 4.26Å; L284-I331 HydrophobicContact CD2-CD1 4.36Å; L284-I331 HydrophobicContact CG-CD1 3.82Å; L284-L334 HydrophobicContact CD1-CB 3.3Å; L284-L334 HydrophobicContact CD1-CD1 4.32Å; L284-L334 HydrophobicContact CD1-CG 4.45Å; L284-L334 WeakPolarHBondContact CD1-O 3.48Å |
| 285 | I | 90.9 | Very high | 89.9 | Confident | 92 Ų | 92 | 41.4 Ų | 41.4 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 177.9 | -67.7 | 168.4 | 0 | 0 | 0 | 110.2 | F281 A282 M287 G288 V289 | F281-I285 WeakPolarHBondContact O-CG1 3.43Å; F281-I285 PolarHBondContact O-N 3.26Å; A282-I285 PolarHBondContact O-N 3.37Å; I285-M287 PolarHBondContact O-N 3.48Å; I285-G288 PolarHBondContact O-N 3.11Å; I285-V289 HydrophobicContact CG2-CG2 4.47Å; I285-V289 WeakPolarHBondContact O-CG2 3.47Å; I285-V289 PolarHBondContact O-N 3.41Å |
| 286 | C | 92.6 | Very high | 89.9 | Confident | 70 Ų | 70 | 40.5 Ų | 40.5 | 47% | 0.473 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.8 | -48 | 177.3 | -173 | 0 | 0 | 0 | 0 | 111.8 | A282 F283 L284 V289 I290 | A282-C286 WeakPolarHBondContact O-CB 3.48Å; A282-C286 PolarHBondContact O-N 2.93Å; F283-C286 WeakPolarHBondContact O-CB 3.47Å; F283-C286 PolarHBondContact O-N 3.19Å; L284-C286 VanDerWaalsContact C-N 3.32Å; L284-C286 PolarHBondContact O-N 2.81Å; C286-V289 PolarHBondContact O-N 3.16Å; C286-I290 WeakPolarHBondContact O-CG1 3.23Å; C286-I290 PolarHBondContact O-N 3.17Å |
| 287 | M | 90.8 | Very high | 90 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 177.7 | -71.5 | -59 | -175.3 | 0 | 0 | 112.7 | F283 L284 I285 V289 I290 L291 L334 F886 | F283-M287 HydrophobicContact CD2-CE 4.5Å; F283-M287 HydrophobicContact CE1-CE 4.42Å; F283-M287 HydrophobicContact CE1-CG 4.13Å; F283-M287 HydrophobicContact CE2-CE 3.47Å; F283-M287 VanDerWaalsContact CE2-CE 3.47Å; F283-M287 HydrophobicContact CE2-CG 4.28Å; F283-M287 HydrophobicContact CZ-CE 3.42Å; F283-M287 VanDerWaalsContact CZ-CE 3.42Å; F283-M287 HydrophobicContact CZ-CG 4Å; F283-M287 PolarHBondContact O-N 3.11Å; L284-M287 PolarHBondContact O-N 2.68Å; I285-M287 PolarHBondContact O-N 3.48Å; M287-V289 VanDerWaalsContact C-N 3.31Å; M287-V289 PolarHBondContact O-N 2.76Å; M287-I290 PolarHBondContact O-N 2.65Å; M287-I290 HydrophobicContact SD-CD1 4.19Å; M287-L291 WeakPolarHBondContact O-CG 3.41Å; M287-L291 PolarHBondContact O-N 2.63Å; M287-L334 HydrophobicContact CB-CD1 4.28Å; M287-F886 HydrophobicContact CB-CD2 4.29Å; M287-F886 HydrophobicContact CB-CE2 4.35Å; M287-F886 HydrophobicContact CE-CE1 4.43Å; M287-F886 HydrophobicContact CE-CE2 4.4Å; M287-F886 HydrophobicContact CE-CZ 4.18Å; M287-F886 HydrophobicContact CG-CD2 4.37Å; M287-F886 HydrophobicContact CG-CE2 4.32Å; M287-F886 HydrophobicContact SD-CD2 3.74Å; M287-F886 HydrophobicContact SD-CE1 4.21Å; M287-F886 HydrophobicContact SD-CE2 3.21Å; M287-F886 WeakPolarHBondContact SD-CE2 3.47Å; M287-F886 HydrophobicContact SD-CG 4.45Å; M287-F886 HydrophobicContact SD-CZ 3.48Å; M287-F886 WeakPolarHBondContact SD-CZ 3.28Å |
| 288 | G | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L284 I285 L291 A292 | L284-G288 PolarHBondContact O-N 3.36Å; I285-G288 PolarHBondContact O-N 3.11Å; G288-L291 PolarHBondContact O-N 2.99Å; G288-A292 VanDerWaalsContact O-CB 3.27Å; G288-A292 WeakPolarHBondContact O-CB 3.32Å; G288-A292 PolarHBondContact O-N 3.49Å |
| 289 | V | 92.6 | Very high | 90 | Very high | 65 Ų | 65 | 45.4 Ų | 45.4 | 39% | 0.394 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 177 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | I285 C286 M287 L291 A292 I293 F327 | I285-V289 HydrophobicContact CG2-CG2 4.47Å; I285-V289 WeakPolarHBondContact O-CG2 3.47Å; I285-V289 PolarHBondContact O-N 3.41Å; C286-V289 PolarHBondContact O-N 3.16Å; M287-V289 VanDerWaalsContact C-N 3.31Å; M287-V289 PolarHBondContact O-N 2.76Å; V289-L291 VanDerWaalsContact C-N 3.34Å; V289-L291 PolarHBondContact O-N 3.32Å; V289-A292 PolarHBondContact O-N 3.26Å; V289-I293 HydrophobicContact CG1-CD1 3.74Å; V289-I293 HydrophobicContact CG1-CG1 4.36Å; V289-I293 VanDerWaalsContact O-CG1 3.29Å; V289-I293 WeakPolarHBondContact O-CG1 3.43Å; V289-I293 PolarHBondContact O-N 3.45Å; V289-F327 HydrophobicContact CG2-CD2 4.22Å; V289-F327 HydrophobicContact CG2-CE2 3.82Å |
| 290 | I | 92.6 | Very high | 89.7 | Confident | 76 Ų | 76 | 43.7 Ų | 43.7 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 178.4 | -68.6 | 166.3 | 0 | 0 | 0 | 110.7 | C286 M287 I293 G294 | C286-I290 WeakPolarHBondContact O-CG1 3.23Å; C286-I290 PolarHBondContact O-N 3.17Å; M287-I290 PolarHBondContact O-N 2.65Å; M287-I290 HydrophobicContact SD-CD1 4.19Å; I290-I293 PolarHBondContact O-N 3.37Å; I290-G294 PolarHBondContact O-N 3.49Å |
| 291 | L | 91.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68 | -37.2 | 179.9 | -65.5 | 173.6 | 0 | 0 | 0 | 112.2 | M287 G288 V289 G294 N295 Y330 L334 F886 F894 | M287-L291 WeakPolarHBondContact O-CG 3.41Å; M287-L291 PolarHBondContact O-N 2.63Å; G288-L291 PolarHBondContact O-N 2.99Å; V289-L291 VanDerWaalsContact C-N 3.34Å; V289-L291 PolarHBondContact O-N 3.32Å; L291-G294 WeakPolarHBondContact O-CA 3.45Å; L291-G294 PolarHBondContact O-N 3.33Å; L291-N295 PolarHBondContact O-N 2.91Å; L291-Y330 HydrophobicContact CB-CD2 3.63Å; L291-Y330 HydrophobicContact CB-CE2 3.72Å; L291-Y330 HydrophobicContact CB-CG 4.11Å; L291-Y330 HydrophobicContact CD1-CD1 3.5Å; L291-Y330 VanDerWaalsContact CD1-CD1 3.5Å; L291-Y330 HydrophobicContact CD1-CD2 4Å; L291-Y330 HydrophobicContact CD1-CE1 3.74Å; L291-Y330 HydrophobicContact CD1-CE2 4.21Å; L291-Y330 HydrophobicContact CD1-CG 3.64Å; L291-Y330 HydrophobicContact CG-CD2 4.46Å; L291-Y330 HydrophobicContact CG-CE2 4.48Å; L291-L334 HydrophobicContact CD1-CD1 4.14Å; L291-F886 HydrophobicContact CD1-CD2 3.83Å; L291-F886 HydrophobicContact CD1-CE2 4.35Å; L291-F886 HydrophobicContact CD2-CD2 3.94Å; L291-F886 HydrophobicContact CD2-CE2 3.91Å; L291-F886 HydrophobicContact CG-CD2 3.97Å; L291-F886 HydrophobicContact CG-CE2 3.98Å; L291-F894 HydrophobicContact CB-CD1 4.48Å; L291-F894 HydrophobicContact CD2-CD1 3.81Å; L291-F894 HydrophobicContact CD2-CE1 3.94Å |
| 292 | A | 91.5 | Very high | 88.9 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | G288 V289 G294 N295 T296 G323 F327 | G288-A292 VanDerWaalsContact O-CB 3.27Å; G288-A292 WeakPolarHBondContact O-CB 3.32Å; G288-A292 PolarHBondContact O-N 3.49Å; V289-A292 PolarHBondContact O-N 3.26Å; A292-G294 VanDerWaalsContact C-N 3.32Å; A292-N295 PolarHBondContact O-N 3.2Å; A292-T296 PolarHBondContact O-N 3.08Å; A292-T296 PolarHBondContact O-OG1 3.46Å; A292-G323 WeakPolarHBondContact CB-O 3.32Å; A292-F327 HydrophobicContact CB-CB 3.75Å; A292-F327 HydrophobicContact CB-CD2 4.44Å |
| 293 | I | 91.9 | Very high | 88.1 | Confident | 95 Ų | 95 | 45.6 Ų | 45.6 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 172.1 | -67.7 | 167.4 | 0 | 0 | 0 | 109.5 | V289 I290 N295 T296 I297 | V289-I293 HydrophobicContact CG1-CD1 3.74Å; V289-I293 HydrophobicContact CG1-CG1 4.36Å; V289-I293 VanDerWaalsContact O-CG1 3.29Å; V289-I293 WeakPolarHBondContact O-CG1 3.43Å; V289-I293 PolarHBondContact O-N 3.45Å; I290-I293 PolarHBondContact O-N 3.37Å; I293-N295 PolarHBondContact O-N 2.76Å; I293-T296 PolarHBondContact O-N 3.11Å; I293-I297 HydrophobicContact CG2-CD1 3.79Å; I293-I297 HydrophobicContact CG2-CG1 4.42Å; I293-I297 VanDerWaalsContact O-CG1 3.32Å; I293-I297 WeakPolarHBondContact O-CG1 3.42Å; I293-I297 PolarHBondContact O-N 3.45Å |
| 294 | G | 90.5 | Very high | 87.1 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.4 | -48.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I290 L291 A292 I297 W298 F894 | I290-G294 PolarHBondContact O-N 3.49Å; L291-G294 WeakPolarHBondContact O-CA 3.45Å; L291-G294 PolarHBondContact O-N 3.33Å; A292-G294 VanDerWaalsContact C-N 3.32Å; G294-I297 PolarHBondContact O-N 3.04Å; G294-W298 WeakPolarHBondContact O-CB 3.26Å; G294-W298 PolarHBondContact O-N 3.43Å; G294-F894 VanDerWaalsContact C-CD2 3.44Å |
| 295 | N | 89.1 | Confident | 86.1 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 175.8 | -172.9 | 64.7 | 0 | 0 | 0 | 112.1 | L291 A292 I293 I297 W298 E299 S322 T326 F894 | L291-N295 PolarHBondContact O-N 2.91Å; A292-N295 PolarHBondContact O-N 3.2Å; I293-N295 PolarHBondContact O-N 2.76Å; N295-I297 VanDerWaalsContact C-N 3.28Å; N295-I297 PolarHBondContact O-N 3.21Å; N295-W298 PolarHBondContact O-N 3.01Å; N295-W298 VanDerWaalsContact O-N 3.16Å; N295-E299 PolarHBondContact ND2-OE2 3.1Å; N295-E299 VanDerWaalsContact O-CB 3.28Å; N295-E299 WeakPolarHBondContact O-CB 3.49Å; N295-E299 PolarHBondContact O-N 2.95Å; N295-S322 PolarHBondContact ND2-OG 3.25Å; N295-T326 HydrophobicContact CB-CG2 3.86Å; N295-T326 PolarHBondContact ND2-OG1 3.44Å; N295-F894 HydrophobicContact CB-CB 3.69Å; N295-F894 PolarHBondContact OD1-O 3.05Å |
| 296 | T | 88.9 | Confident | 85.2 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 22% | 0.221 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 179.3 | -52.2 | 0 | 0 | 0 | 0 | 111.5 | A292 I293 T300 A319 V320 | A292-T296 PolarHBondContact O-N 3.08Å; A292-T296 PolarHBondContact O-OG1 3.46Å; I293-T296 PolarHBondContact O-N 3.11Å; T296-T300 WeakPolarHBondContact O-CB 3.4Å; T296-T300 PolarHBondContact O-N 3.01Å; T296-T300 PolarHBondContact O-OG1 3.17Å; T296-A319 HydrophobicContact CG2-CB 4.42Å; T296-V320 HydrophobicContact CG2-CG2 4.37Å |
| 297 | I | 88.8 | Confident | 83.9 | Confident | 100 Ų | 100 | 61.3 Ų | 61.3 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.4 | -46.8 | 177.1 | -66.7 | 168 | 0 | 0 | 0 | 110.5 | I293 G294 N295 T300 C301 | I293-I297 HydrophobicContact CG2-CD1 3.79Å; I293-I297 HydrophobicContact CG2-CG1 4.42Å; I293-I297 VanDerWaalsContact O-CG1 3.32Å; I293-I297 WeakPolarHBondContact O-CG1 3.42Å; I293-I297 PolarHBondContact O-N 3.45Å; G294-I297 PolarHBondContact O-N 3.04Å; N295-I297 VanDerWaalsContact C-N 3.28Å; N295-I297 PolarHBondContact O-N 3.21Å; I297-T300 PolarHBondContact O-N 3.3Å; I297-C301 WeakPolarHBondContact O-CB 3.37Å; I297-C301 PolarHBondContact O-N 3.39Å; I297-C301 PolarHBondContact O-SG 3.14Å |
| 298 | W | 87.4 | Confident | 82.9 | Confident | 95 Ų | 95 | 68 Ų | 68 | 36% | 0.36 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | -179 | -176.6 | 89.7 | 0 | 0 | 0 | 111.9 | G294 N295 T300 C301 V302 G303 F894 | G294-W298 WeakPolarHBondContact O-CB 3.26Å; G294-W298 PolarHBondContact O-N 3.43Å; N295-W298 PolarHBondContact O-N 3.01Å; N295-W298 VanDerWaalsContact O-N 3.16Å; W298-T300 VanDerWaalsContact C-N 3.34Å; W298-T300 PolarHBondContact O-N 3.16Å; W298-C301 PolarHBondContact O-N 3.05Å; W298-V302 HydrophobicContact CD2-CB 4.47Å; W298-V302 HydrophobicContact CZ2-CG1 4.12Å; W298-V302 WeakPolarHBondContact O-CA 3.49Å; W298-V302 WeakPolarHBondContact O-CB 3.47Å; W298-V302 PolarHBondContact O-N 3.37Å; W298-G303 PolarHBondContact O-N 3.39Å; W298-F894 HydrophobicContact CB-CD2 4.16Å |
| 299 | E | 83.1 | Confident | 81.9 | Confident | 11 Ų | 11 | 75.8 Ų | 75.8 | 5% | 0.051 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -64.7 | -38.5 | -179.9 | -165.5 | 172.1 | 150.8 | 0 | 0 | 111.9 | N295 G303 R304 W312 A319 S322 | N295-E299 PolarHBondContact ND2-OE2 3.1Å; N295-E299 VanDerWaalsContact O-CB 3.28Å; N295-E299 WeakPolarHBondContact O-CB 3.49Å; N295-E299 PolarHBondContact O-N 2.95Å; E299-G303 WeakPolarHBondContact O-CA 3.42Å; E299-G303 PolarHBondContact O-N 3.15Å; E299-R304 PolarHBondContact O-N 2.82Å; E299-W312 HydrophobicContact CG-CH2 3.7Å; E299-W312 HydrophobicContact CG-CZ2 3.82Å; E299-A319 HydrophobicContact CB-CB 4.43Å; E299-A319 HydrophobicContact CG-CB 4.4Å; E299-S322 VanDerWaalsContact CD-CB 3.46Å; E299-S322 VanDerWaalsContact CD-OG 3.32Å; E299-S322 WeakPolarHBondContact OE1-CB 3.43Å; E299-S322 PolarHBondContact OE1-OG 3.35Å; E299-S322 WeakPolarHBondContact OE2-CB 3.39Å; E299-S322 PolarHBondContact OE2-OG 3Å |
| 300 | T | 82.1 | Confident | 81 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | I | π-helix | trans | -69.2 | -42.7 | 177 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | T296 I297 W298 | T296-T300 WeakPolarHBondContact O-CB 3.4Å; T296-T300 PolarHBondContact O-N 3.01Å; T296-T300 PolarHBondContact O-OG1 3.17Å; I297-T300 PolarHBondContact O-N 3.3Å; W298-T300 VanDerWaalsContact C-N 3.34Å; W298-T300 PolarHBondContact O-N 3.16Å |
| 301 | C | 82.9 | Confident | 79.7 | Confident | 77 Ų | 77 | 80.2 Ų | 80.2 | 52% | 0.52 | 40% | 0.403 | S | S | . | . | I | π-helix | trans | -87.8 | -37.2 | -172.5 | -71.3 | 0 | 0 | 0 | 0 | 114.1 | I297 W298 | I297-C301 WeakPolarHBondContact O-CB 3.37Å; I297-C301 PolarHBondContact O-N 3.39Å; I297-C301 PolarHBondContact O-SG 3.14Å; W298-C301 PolarHBondContact O-N 3.05Å |
| 302 | V | 78.6 | Confident | 78.4 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 31% | 0.309 | 42% | 0.418 | S | S | . | . | I | π-helix | trans | -121.4 | -41.3 | -169.5 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | W298 R304 K305 F306 | W298-V302 HydrophobicContact CD2-CB 4.47Å; W298-V302 HydrophobicContact CZ2-CG1 4.12Å; W298-V302 WeakPolarHBondContact O-CA 3.49Å; W298-V302 WeakPolarHBondContact O-CB 3.47Å; W298-V302 PolarHBondContact O-N 3.37Å; V302-R304 VanDerWaalsContact C-N 3.32Å; V302-R304 PolarHBondContact O-N 3.05Å; V302-K305 WeakPolarHBondContact O-CA 3.39Å; V302-K305 WeakPolarHBondContact O-CB 3.4Å; V302-K305 PolarHBondContact O-N 3.01Å; V302-F306 HydrophobicContact CG1-CD2 3.77Å; V302-F306 HydrophobicContact CG1-CE2 4.02Å; V302-F306 PolarHBondContact O-N 3.33Å |
| 303 | G | 71.8 | Confident | 76.9 | Confident | 2 Ų | 2 | 90 Ų | 90 | 2% | 0.021 | 45% | 0.447 | C | S | . | . | I | π-helix | trans | -53.4 | -44.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | W298 E299 K305 F306 E307 | W298-G303 PolarHBondContact O-N 3.39Å; E299-G303 WeakPolarHBondContact O-CA 3.42Å; E299-G303 PolarHBondContact O-N 3.15Å; G303-K305 PolarHBondContact O-N 2.63Å; G303-K305 VanDerWaalsContact O-N 3.13Å; G303-F306 PolarHBondContact O-N 2.93Å; G303-E307 PolarHBondContact O-N 3.37Å |
| 304 | R | 68.9 | Low | 75.2 | Confident | 172 Ų | 172 | 94.9 Ų | 94.9 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.9 | -23.2 | 174.2 | -74 | -177 | 172.7 | 167.3 | -1.3 | 115.1 | E299 V302 | E299-R304 PolarHBondContact O-N 2.82Å; V302-R304 VanDerWaalsContact C-N 3.32Å; V302-R304 PolarHBondContact O-N 3.05Å |
| 305 | K | 70.6 | Confident | 73.3 | Confident | 170 Ų | 170 | 102.9 Ų | 102.9 | 74% | 0.739 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -87.3 | -19.4 | 175.9 | -62.4 | 174.9 | -178.5 | 168.5 | 0 | 112.2 | V302 G303 | V302-K305 WeakPolarHBondContact O-CA 3.39Å; V302-K305 WeakPolarHBondContact O-CB 3.4Å; V302-K305 PolarHBondContact O-N 3.01Å; G303-K305 PolarHBondContact O-N 2.63Å; G303-K305 VanDerWaalsContact O-N 3.13Å |
| 306 | F | 71.2 | Confident | 71.9 | Confident | 105 Ų | 105 | 105.5 Ų | 105.5 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -95.3 | -0.5 | -177.3 | -100.3 | -90.5 | 0 | 0 | 0 | 114.1 | V302 G303 L308 F309 L310 | V302-F306 HydrophobicContact CG1-CD2 3.77Å; V302-F306 HydrophobicContact CG1-CE2 4.02Å; V302-F306 PolarHBondContact O-N 3.33Å; G303-F306 PolarHBondContact O-N 2.93Å; F306-L308 PolarHBondContact O-N 3.16Å; F306-F309 HydrophobicContact CD1-CB 4.29Å; F306-F309 HydrophobicContact CD1-CD2 4.25Å; F306-F309 HydrophobicContact CE1-CD2 4.48Å; F306-F309 PolarHBondContact O-N 3.41Å; F306-L310 PolarHBondContact O-N 3.06Å; F306-L310 VanDerWaalsContact O-N 3.12Å |
| 307 | E | 66.1 | Low | 70.4 | Confident | 116 Ų | 116 | 109.1 Ų | 109.1 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -26.9 | 178.9 | -164.8 | 175.3 | 176.8 | 0 | 0 | 113.2 | G303 F309 | G303-E307 PolarHBondContact O-N 3.37Å; E307-F309 VanDerWaalsContact C-N 3.34Å; E307-F309 PolarHBondContact O-N 2.9Å |
| 308 | L | 69.9 | Low | 69.7 | Low | 162 Ų | 162 | 106.9 Ų | 106.9 | 85% | 0.848 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24.2 | 177.5 | -130 | 144.5 | 0 | 0 | 0 | 113.7 | F306 | F306-L308 PolarHBondContact O-N 3.16Š|
| 309 | F | 70.6 | Confident | 69.3 | Low | 165 Ų | 165 | 103.3 Ų | 103.3 | 72% | 0.724 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -19.8 | -179.7 | -65.3 | -80.9 | 0 | 0 | 0 | 113 | F306 E307 | F306-F309 HydrophobicContact CD1-CB 4.29Å; F306-F309 HydrophobicContact CD1-CD2 4.25Å; F306-F309 HydrophobicContact CE1-CD2 4.48Å; F306-F309 PolarHBondContact O-N 3.41Å; E307-F309 VanDerWaalsContact C-N 3.34Å; E307-F309 PolarHBondContact O-N 2.9Å |
| 310 | L | 72.3 | Confident | 69.3 | Low | 121 Ų | 121 | 107.7 Ų | 107.7 | 63% | 0.634 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -141.7 | 91.7 | -177.2 | -134.2 | 136.1 | 0 | 0 | 0 | 109 | F306 | F306-L310 PolarHBondContact O-N 3.06Å; F306-L310 VanDerWaalsContact O-N 3.12Å |
| 311 | P | 65.3 | Low | 69.4 | Low | 113 Ų | 113 | 108.9 Ų | 108.9 | 73% | 0.734 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 135.5 | -177.9 | 25.8 | -31.3 | 0 | 0 | 0 | 110.8 | ||
| 312 | W | 65.7 | Low | 69.5 | Low | 85 Ų | 85 | 105.5 Ų | 105.5 | 32% | 0.322 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 144.2 | -179.4 | -65.1 | 9.4 | 0 | 0 | 0 | 111 | E299 | E299-W312 HydrophobicContact CG-CH2 3.7Å; E299-W312 HydrophobicContact CG-CZ2 3.82Å |
| 313 | D | 60 | Low | 69.8 | Low | 131 Ų | 131 | 103.2 Ų | 103.2 | 70% | 0.701 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -71 | 142.5 | 169 | -78.3 | -29.8 | 0 | 0 | 0 | 110.3 | F315 Q316 | D313-F315 PolarHBondContact O-N 3.26Å; D313-Q316 PolarHBondContact O-N 3.46Å |
| 314 | E | 54.6 | Low | 70.6 | Confident | 197 Ų | 197 | 108.4 Ų | 108.4 | 92% | 0.921 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -18.1 | -174.1 | -70.2 | -170.9 | 161.3 | 0 | 0 | 114.5 | ||
| 315 | F | 52 | Low | 71.5 | Confident | 180 Ų | 180 | 101.2 Ų | 101.2 | 79% | 0.789 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -10 | 179.1 | -106.1 | -95.3 | 0 | 0 | 0 | 114.9 | D313 | D313-F315 PolarHBondContact O-N 3.26Š|
| 316 | Q | 58.4 | Low | 72.3 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 29% | 0.285 | 48% | 0.479 | S | S | . | . | trans | -112.2 | 46.1 | -167.7 | -147.2 | 167.2 | 13.3 | 0 | 0 | 113.5 | D313 S318 S322 | D313-Q316 PolarHBondContact O-N 3.46Å; Q316-S318 VanDerWaalsContact C-N 3.35Å; Q316-S318 PolarHBondContact O-N 3.11Å; Q316-S322 PolarHBondContact NE2-OG 3.02Å | ||
| 317 | S | 57.4 | Low | 73.3 | Confident | 112 Ų | 112 | 90.2 Ų | 90.2 | 78% | 0.783 | 46% | 0.463 | S | S | * | . | trans | -78.8 | -9.6 | -174.7 | 55.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 318 | S | 75.2 | Confident | 74.5 | Confident | 54 Ų | 54 | 88.4 Ų | 88.4 | 38% | 0.378 | 45% | 0.452 | S | S | . | . | trans | -117.5 | 119.2 | -178.4 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | Q316 V320 F321 S322 | Q316-S318 VanDerWaalsContact C-N 3.35Å; Q316-S318 PolarHBondContact O-N 3.11Å; S318-V320 PolarHBondContact O-N 3.5Å; S318-V320 VanDerWaalsContact O-N 3.15Å; S318-V320 PolarHBondContact OG-N 3.02Å; S318-F321 WeakPolarHBondContact O-CB 3.49Å; S318-F321 PolarHBondContact O-N 2.86Å; S318-S322 PolarHBondContact O-N 3.48Å | ||
| 319 | A | 78.8 | Confident | 75.4 | Confident | 20 Ų | 20 | 81.4 Ų | 81.4 | 17% | 0.165 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.4 | -29.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | T296 E299 G323 | T296-A319 HydrophobicContact CG2-CB 4.42Å; E299-A319 HydrophobicContact CB-CB 4.43Å; E299-A319 HydrophobicContact CG-CB 4.4Å; A319-G323 PolarHBondContact O-N 3.38Å |
| 320 | V | 83.5 | Confident | 76.4 | Confident | 102 Ų | 102 | 73.7 Ų | 73.7 | 62% | 0.618 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -71.4 | -37.4 | 176.2 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | T296 S318 G323 F324 | T296-V320 HydrophobicContact CG2-CG2 4.37Å; S318-V320 PolarHBondContact O-N 3.5Å; S318-V320 VanDerWaalsContact O-N 3.15Å; S318-V320 PolarHBondContact OG-N 3.02Å; V320-G323 PolarHBondContact O-N 3.33Å; V320-F324 PolarHBondContact O-N 3.41Å |
| 321 | F | 84.6 | Confident | 77.2 | Confident | 90 Ų | 90 | 68.4 Ų | 68.4 | 40% | 0.395 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 177.6 | -176.1 | -110.2 | 0 | 0 | 0 | 111.4 | S318 F324 L325 | S318-F321 WeakPolarHBondContact O-CB 3.49Å; S318-F321 PolarHBondContact O-N 2.86Å; F321-F324 WeakPolarHBondContact O-CB 3.32Å; F321-F324 PolarHBondContact O-N 3.25Å; F321-F324 VanDerWaalsContact O-N 3.13Å; F321-L325 HydrophobicContact CD1-CD1 4.16Å; F321-L325 HydrophobicContact CE1-CD1 3.72Å; F321-L325 HydrophobicContact CE1-CG 4.2Å; F321-L325 HydrophobicContact CZ-CD1 4.22Å; F321-L325 HydrophobicContact CZ-CD2 4.27Å; F321-L325 HydrophobicContact CZ-CG 4.31Å; F321-L325 PolarHBondContact O-N 3.13Å |
| 322 | S | 83.2 | Confident | 78.3 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 171.9 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | N295 E299 Q316 S318 F324 L325 T326 | N295-S322 PolarHBondContact ND2-OG 3.25Å; E299-S322 VanDerWaalsContact CD-CB 3.46Å; E299-S322 VanDerWaalsContact CD-OG 3.32Å; E299-S322 WeakPolarHBondContact OE1-CB 3.43Å; E299-S322 PolarHBondContact OE1-OG 3.35Å; E299-S322 WeakPolarHBondContact OE2-CB 3.39Å; E299-S322 PolarHBondContact OE2-OG 3Å; Q316-S322 PolarHBondContact NE2-OG 3.02Å; S318-S322 PolarHBondContact O-N 3.48Å; S322-F324 VanDerWaalsContact C-N 3.28Å; S322-F324 PolarHBondContact O-N 2.73Å; S322-L325 PolarHBondContact O-N 2.89Å; S322-T326 VanDerWaalsContact O-CB 3.28Å; S322-T326 WeakPolarHBondContact O-CB 3.18Å; S322-T326 PolarHBondContact O-N 3.14Å; S322-T326 PolarHBondContact O-OG1 2.9Å |
| 323 | G | 85.6 | Confident | 79.3 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.6 | -39.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A292 A319 V320 T326 F327 | A292-G323 WeakPolarHBondContact CB-O 3.32Å; A319-G323 PolarHBondContact O-N 3.38Å; V320-G323 PolarHBondContact O-N 3.33Å; G323-T326 PolarHBondContact O-N 3.38Å; G323-F327 PolarHBondContact O-N 3.29Å |
| 324 | F | 89.2 | Confident | 80.7 | Confident | 111 Ų | 111 | 53 Ų | 53 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 175.5 | 176.4 | -97.6 | 0 | 0 | 0 | 113.3 | V320 F321 S322 T326 F327 W328 | V320-F324 PolarHBondContact O-N 3.41Å; F321-F324 WeakPolarHBondContact O-CB 3.32Å; F321-F324 PolarHBondContact O-N 3.25Å; F321-F324 VanDerWaalsContact O-N 3.13Å; S322-F324 VanDerWaalsContact C-N 3.28Å; S322-F324 PolarHBondContact O-N 2.73Å; F324-T326 VanDerWaalsContact C-N 3.35Å; F324-F327 WeakPolarHBondContact O-CB 3.5Å; F324-F327 PolarHBondContact O-N 3.08Å; F324-W328 AromaticContact CE1-CD1 3.94Å; F324-W328 AromaticContact CE1-NE1 3.61Å; F324-W328 AromaticContact CE2-NE1 3.45Å; F324-W328 AromaticContact CZ-CD1 3.95Å; F324-W328 AromaticContact CZ-NE1 3.16Å |
| 325 | L | 87.5 | Confident | 82.1 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -39.7 | 174.1 | -66.6 | 177.4 | 0 | 0 | 0 | 111.6 | V73 F321 S322 F327 W328 S329 | V73-L325 HydrophobicContact CG2-CD2 3.93Å; F321-L325 HydrophobicContact CD1-CD1 4.16Å; F321-L325 HydrophobicContact CE1-CD1 3.72Å; F321-L325 HydrophobicContact CE1-CG 4.2Å; F321-L325 HydrophobicContact CZ-CD1 4.22Å; F321-L325 HydrophobicContact CZ-CD2 4.27Å; F321-L325 HydrophobicContact CZ-CG 4.31Å; F321-L325 PolarHBondContact O-N 3.13Å; S322-L325 PolarHBondContact O-N 2.89Å; L325-F327 VanDerWaalsContact C-N 3.33Å; L325-F327 PolarHBondContact O-N 3.25Å; L325-W328 PolarHBondContact O-N 3.32Å; L325-S329 PolarHBondContact O-N 3.34Å; L325-S329 PolarHBondContact O-OG 2.81Å |
| 326 | T | 87.9 | Confident | 83.4 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.1 | -35 | 177.9 | -58 | 0 | 0 | 0 | 0 | 111.8 | N295 S322 G323 F324 W328 S329 Y330 F894 | N295-T326 HydrophobicContact CB-CG2 3.86Å; N295-T326 PolarHBondContact ND2-OG1 3.44Å; S322-T326 VanDerWaalsContact O-CB 3.28Å; S322-T326 WeakPolarHBondContact O-CB 3.18Å; S322-T326 PolarHBondContact O-N 3.14Å; S322-T326 PolarHBondContact O-OG1 2.9Å; G323-T326 PolarHBondContact O-N 3.38Å; F324-T326 VanDerWaalsContact C-N 3.35Å; T326-W328 PolarHBondContact O-N 2.98Å; T326-S329 PolarHBondContact O-N 3.41Å; T326-Y330 HydrophobicContact CG2-CD2 3.59Å; T326-Y330 HydrophobicContact CG2-CE2 3.46Å; T326-Y330 VanDerWaalsContact CG2-CE2 3.46Å; T326-Y330 WeakPolarHBondContact O-CD2 3.48Å; T326-Y330 PolarHBondContact O-N 3.16Å; T326-F894 WeakPolarHBondContact CG2-O 3.36Å |
| 327 | F | 91.9 | Very high | 84.5 | Confident | 31 Ų | 31 | 33.8 Ų | 33.8 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -52.7 | -54 | 170.8 | 169.6 | -100.8 | 0 | 0 | 0 | 111 | V289 A292 G323 F324 L325 S329 Y330 I331 | V289-F327 HydrophobicContact CG2-CD2 4.22Å; V289-F327 HydrophobicContact CG2-CE2 3.82Å; A292-F327 HydrophobicContact CB-CB 3.75Å; A292-F327 HydrophobicContact CB-CD2 4.44Å; G323-F327 PolarHBondContact O-N 3.29Å; F324-F327 WeakPolarHBondContact O-CB 3.5Å; F324-F327 PolarHBondContact O-N 3.08Å; L325-F327 VanDerWaalsContact C-N 3.33Å; L325-F327 PolarHBondContact O-N 3.25Å; F327-S329 VanDerWaalsContact C-N 3.33Å; F327-S329 PolarHBondContact O-N 2.91Å; F327-Y330 PolarHBondContact O-N 3.49Å; F327-I331 HydrophobicContact CD1-CG1 4.49Å; F327-I331 HydrophobicContact CE1-CG1 4.1Å; F327-I331 HydrophobicContact CE2-CD1 4.17Å; F327-I331 HydrophobicContact CE2-CG1 4.13Å; F327-I331 HydrophobicContact CZ-CD1 4.09Å; F327-I331 HydrophobicContact CZ-CG1 3.9Å; F327-I331 VanDerWaalsContact O-CG1 3.32Å; F327-I331 WeakPolarHBondContact O-CG1 3.46Å; F327-I331 PolarHBondContact O-N 3.47Å |
| 328 | W | 90.5 | Very high | 85.5 | Confident | 78 Ų | 78 | 28.6 Ų | 28.6 | 30% | 0.295 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -67.1 | -34.4 | -179.6 | -66.3 | 109.2 | 0 | 0 | 0 | 112.7 | L67 V73 F324 L325 T326 Y330 I331 I332 | L67-W328 HydrophobicContact CD1-CE3 3.57Å; L67-W328 HydrophobicContact CD1-CZ3 3.66Å; L67-W328 HydrophobicContact CD2-CD2 4.44Å; L67-W328 HydrophobicContact CD2-CE3 4.13Å; L67-W328 HydrophobicContact CD2-CZ3 4.43Å; V73-W328 HydrophobicContact CG1-CB 3.28Å; V73-W328 HydrophobicContact CG1-CG 4.44Å; V73-W328 HydrophobicContact CG2-CB 4.47Å; F324-W328 AromaticContact CE1-CD1 3.94Å; F324-W328 AromaticContact CE1-NE1 3.61Å; F324-W328 AromaticContact CE2-NE1 3.45Å; F324-W328 AromaticContact CZ-CD1 3.95Å; F324-W328 AromaticContact CZ-NE1 3.16Å; L325-W328 PolarHBondContact O-N 3.32Å; T326-W328 PolarHBondContact O-N 2.98Å; W328-Y330 PolarHBondContact O-N 3.46Å; W328-I331 PolarHBondContact O-N 2.9Å; W328-I332 WeakPolarHBondContact O-CG1 3.4Å; W328-I332 PolarHBondContact O-N 3.32Å |
| 329 | S | 89.8 | Confident | 85.3 | Confident | 15 Ų | 15 | 26.2 Ų | 26.2 | 11% | 0.105 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 175.4 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | V73 S75 L325 T326 F327 I332 I333 | V73-S329 PolarHBondContact O-OG 2.95Å; V73-S329 VanDerWaalsContact O-OG 3.12Å; S75-S329 PolarHBondContact OG-O 3.17Å; L325-S329 PolarHBondContact O-N 3.34Å; L325-S329 PolarHBondContact O-OG 2.81Å; T326-S329 PolarHBondContact O-N 3.41Å; F327-S329 VanDerWaalsContact C-N 3.33Å; F327-S329 PolarHBondContact O-N 2.91Å; S329-I332 WeakPolarHBondContact O-CB 3.29Å; S329-I332 PolarHBondContact O-N 3.27Å; S329-I333 WeakPolarHBondContact O-CG1 3.33Å; S329-I333 PolarHBondContact O-N 2.9Å; S329-I333 VanDerWaalsContact O-N 3.16Å |
| 330 | Y | 90.4 | Very high | 85.3 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -72 | -34.5 | 174.3 | -83.4 | -61.5 | 0 | 0 | 0 | 113.4 | L291 T326 F327 W328 I332 I333 L334 F894 A896 | L291-Y330 HydrophobicContact CB-CD2 3.63Å; L291-Y330 HydrophobicContact CB-CE2 3.72Å; L291-Y330 HydrophobicContact CB-CG 4.11Å; L291-Y330 HydrophobicContact CD1-CD1 3.5Å; L291-Y330 VanDerWaalsContact CD1-CD1 3.5Å; L291-Y330 HydrophobicContact CD1-CD2 4Å; L291-Y330 HydrophobicContact CD1-CE1 3.74Å; L291-Y330 HydrophobicContact CD1-CE2 4.21Å; L291-Y330 HydrophobicContact CD1-CG 3.64Å; L291-Y330 HydrophobicContact CG-CD2 4.46Å; L291-Y330 HydrophobicContact CG-CE2 4.48Å; T326-Y330 HydrophobicContact CG2-CD2 3.59Å; T326-Y330 HydrophobicContact CG2-CE2 3.46Å; T326-Y330 VanDerWaalsContact CG2-CE2 3.46Å; T326-Y330 WeakPolarHBondContact O-CD2 3.48Å; T326-Y330 PolarHBondContact O-N 3.16Å; F327-Y330 PolarHBondContact O-N 3.49Å; W328-Y330 PolarHBondContact O-N 3.46Å; Y330-I332 PolarHBondContact O-N 2.58Å; Y330-I333 HydrophobicContact CD1-CD1 4.44Å; Y330-I333 PolarHBondContact O-N 2.68Å; Y330-L334 VanDerWaalsContact O-CB 3.29Å; Y330-L334 WeakPolarHBondContact O-CB 3.43Å; Y330-L334 WeakPolarHBondContact O-CG 3.5Å; Y330-L334 PolarHBondContact O-N 3.03Å; Y330-F894 HydrophobicContact CE2-CB 4.49Å; Y330-F894 VanDerWaalsContact CE2-O 3.28Å; Y330-F894 WeakPolarHBondContact CE2-O 3.33Å; Y330-F894 WeakPolarHBondContact OH-CA 2.95Å; Y330-F894 PolarHBondContact OH-O 3.32Å; Y330-A896 HydrophobicContact CD1-CB 4.12Å; Y330-A896 HydrophobicContact CD2-CB 4.14Å; Y330-A896 HydrophobicContact CE1-CB 3.93Å; Y330-A896 HydrophobicContact CE2-CB 3.94Å; Y330-A896 HydrophobicContact CG-CB 4.22Å; Y330-A896 VanDerWaalsContact CZ-CA 3.46Å; Y330-A896 PolarHBondContact OH-N 3.13Å |
| 331 | I | 90.1 | Very high | 85.1 | Confident | 10 Ų | 10 | 22.5 Ų | 22.5 | 5% | 0.051 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.5 | -35.8 | 171.6 | -67.7 | -65.5 | 0 | 0 | 0 | 110.7 | L64 L284 F327 W328 N335 | L64-I331 HydrophobicContact CD2-CG2 4.01Å; L284-I331 HydrophobicContact CD1-CD1 4.26Å; L284-I331 HydrophobicContact CD2-CD1 4.36Å; L284-I331 HydrophobicContact CG-CD1 3.82Å; F327-I331 HydrophobicContact CD1-CG1 4.49Å; F327-I331 HydrophobicContact CE1-CG1 4.1Å; F327-I331 HydrophobicContact CE2-CD1 4.17Å; F327-I331 HydrophobicContact CE2-CG1 4.13Å; F327-I331 HydrophobicContact CZ-CD1 4.09Å; F327-I331 HydrophobicContact CZ-CG1 3.9Å; F327-I331 VanDerWaalsContact O-CG1 3.32Å; F327-I331 WeakPolarHBondContact O-CG1 3.46Å; F327-I331 PolarHBondContact O-N 3.47Å; W328-I331 PolarHBondContact O-N 2.9Å; I331-N335 PolarHBondContact O-N 2.98Å; I331-N335 VanDerWaalsContact O-N 3.16Å |
| 332 | I | 88.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.1 | -46.8 | 174.7 | -69.7 | 169.9 | 0 | 0 | 0 | 111.5 | L67 Q68 V73 L76 W328 S329 Y330 N335 | L67-I332 HydrophobicContact CB-CD1 4.36Å; Q68-I332 HydrophobicContact CG-CD1 3.91Å; Q68-I332 HydrophobicContact CG-CG1 4.11Å; Q68-I332 HydrophobicContact CG-CG2 3.85Å; V73-I332 HydrophobicContact CG1-CD1 3.82Å; L76-I332 HydrophobicContact CB-CG2 4.07Å; L76-I332 HydrophobicContact CD1-CG2 4.06Å; L76-I332 HydrophobicContact CG-CG2 4.25Å; W328-I332 WeakPolarHBondContact O-CG1 3.4Å; W328-I332 PolarHBondContact O-N 3.32Å; S329-I332 WeakPolarHBondContact O-CB 3.29Å; S329-I332 PolarHBondContact O-N 3.27Å; Y330-I332 PolarHBondContact O-N 2.58Å; I332-N335 VanDerWaalsContact O-CB 3.25Å; I332-N335 WeakPolarHBondContact O-CB 3.34Å; I332-N335 PolarHBondContact O-N 3.1Å; I332-N335 PolarHBondContact O-ND2 3.27Å; I332-N335 PolarHBondContact O-OD1 3.43Å |
| 333 | I | 87.5 | Confident | 85 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | -178.1 | -65.5 | 169.6 | 0 | 0 | 0 | 111.6 | S75 S329 Y330 N335 T336 H885 A896 T898 | S75-I333 WeakPolarHBondContact OG-CG1 3.47Å; S329-I333 WeakPolarHBondContact O-CG1 3.33Å; S329-I333 PolarHBondContact O-N 2.9Å; S329-I333 VanDerWaalsContact O-N 3.16Å; Y330-I333 HydrophobicContact CD1-CD1 4.44Å; Y330-I333 PolarHBondContact O-N 2.68Å; I333-N335 PolarHBondContact O-N 3.38Å; I333-T336 PolarHBondContact O-OG1 2.85Å; I333-H885 HydrophobicContact CG2-CB 3.78Å; I333-H885 VanDerWaalsContact CG2-CD2 3.45Å; I333-H885 WeakPolarHBondContact CG2-CD2 3.31Å; I333-A896 HydrophobicContact CD1-CB 3.8Å; I333-A896 WeakPolarHBondContact CD1-O 3.36Å; I333-T898 HydrophobicContact CD1-CG2 4.25Å; I333-T898 HydrophobicContact CG1-CG2 4.29Å |
| 334 | L | 88.6 | Confident | 84.8 | Confident | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -81.8 | 5.4 | -179.6 | -60.9 | 175 | 0 | 0 | 0 | 112.3 | L284 M287 L291 Y330 T336 V337 H885 | L284-L334 HydrophobicContact CD1-CB 3.3Å; L284-L334 HydrophobicContact CD1-CD1 4.32Å; L284-L334 HydrophobicContact CD1-CG 4.45Å; L284-L334 WeakPolarHBondContact CD1-O 3.48Å; M287-L334 HydrophobicContact CB-CD1 4.28Å; L291-L334 HydrophobicContact CD1-CD1 4.14Å; Y330-L334 VanDerWaalsContact O-CB 3.29Å; Y330-L334 WeakPolarHBondContact O-CB 3.43Å; Y330-L334 WeakPolarHBondContact O-CG 3.5Å; Y330-L334 PolarHBondContact O-N 3.03Å; L334-T336 PolarHBondContact O-N 2.92Å; L334-T336 VanDerWaalsContact O-N 3.12Å; L334-V337 HydrophobicContact CB-CG2 4.39Å; L334-V337 WeakPolarHBondContact O-CB 3.5Å; L334-V337 WeakPolarHBondContact O-CG2 3.49Å; L334-V337 PolarHBondContact O-N 2.88Å; L334-V337 VanDerWaalsContact O-N 3.09Å; L334-H885 HydrophobicContact CD2-CB 4.15Å |
| 335 | N | 83.6 | Confident | 84.7 | Confident | 13 Ų | 13 | 15.4 Ų | 15.4 | 7% | 0.07 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -59.8 | -25.4 | 177.8 | 73.4 | 3.3 | 0 | 0 | 0 | 113.2 | L64 I331 I332 I333 V337 V338 | L64-N335 HydrophobicContact CD1-CB 3.52Å; L64-N335 HydrophobicContact CD2-CB 4.38Å; I331-N335 PolarHBondContact O-N 2.98Å; I331-N335 VanDerWaalsContact O-N 3.16Å; I332-N335 VanDerWaalsContact O-CB 3.25Å; I332-N335 WeakPolarHBondContact O-CB 3.34Å; I332-N335 PolarHBondContact O-N 3.1Å; I332-N335 PolarHBondContact O-ND2 3.27Å; I332-N335 PolarHBondContact O-OD1 3.43Å; I333-N335 PolarHBondContact O-N 3.38Å; N335-V337 PolarHBondContact O-N 3.19Å; N335-V337 VanDerWaalsContact O-N 3.12Å; N335-V338 PolarHBondContact O-N 3.43Å |
| 336 | T | 78.9 | Confident | 84.7 | Confident | 17 Ų | 17 | 14.5 Ų | 14.5 | 10% | 0.104 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -67.3 | -11 | -179.5 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | I333 L334 V338 F881 T882 I905 | I333-T336 PolarHBondContact O-OG1 2.85Å; L334-T336 PolarHBondContact O-N 2.92Å; L334-T336 VanDerWaalsContact O-N 3.12Å; T336-V338 VanDerWaalsContact C-N 3.27Å; T336-F881 HydrophobicContact CG2-CE1 4.04Å; T336-T882 VanDerWaalsContact C-CG2 3.41Å; T336-T882 WeakPolarHBondContact OG1-CG2 3.47Å; T336-I905 HydrophobicContact CG2-CG2 4.04Å |
| 337 | V | 81.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.024 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -69.4 | -27.2 | 172.3 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | I280 L334 N335 P339 F879 T882 | I280-V337 HydrophobicContact CG2-CB 4.34Å; I280-V337 HydrophobicContact CG2-CG1 3.51Å; L334-V337 HydrophobicContact CB-CG2 4.39Å; L334-V337 WeakPolarHBondContact O-CB 3.5Å; L334-V337 WeakPolarHBondContact O-CG2 3.49Å; L334-V337 PolarHBondContact O-N 2.88Å; L334-V337 VanDerWaalsContact O-N 3.09Å; N335-V337 PolarHBondContact O-N 3.19Å; N335-V337 VanDerWaalsContact O-N 3.12Å; V337-P339 WeakPolarHBondContact O-CD 3.47Å; V337-F879 HydrophobicContact CG1-CD1 4.12Å; V337-F879 HydrophobicContact CG1-CE1 3.54Å; V337-F879 HydrophobicContact CG1-CZ 4.23Å; V337-T882 HydrophobicContact CB-CG2 4.5Å; V337-T882 HydrophobicContact CG2-CG2 3.83Å; V337-T882 WeakPolarHBondContact CG2-OG1 3.27Å |
| 338 | V | 78.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.012 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -101.9 | 87.1 | 169.1 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | Y60 F61 V277 I280 F281 N335 T336 I340 | Y60-V338 HydrophobicContact CE1-CB 4.12Å; Y60-V338 HydrophobicContact CE1-CG1 4.46Å; F61-V338 WeakPolarHBondContact CE1-O 3.42Å; F61-V338 HydrophobicContact CZ-CB 4.45Å; F61-V338 HydrophobicContact CZ-CG1 3.95Å; F61-V338 WeakPolarHBondContact CZ-O 3.42Å; V277-V338 HydrophobicContact CG1-CG1 4.17Å; I280-V338 HydrophobicContact CB-CG2 4.34Å; I280-V338 HydrophobicContact CG2-CG2 3.5Å; F281-V338 HydrophobicContact CD1-CG2 3.83Å; F281-V338 HydrophobicContact CE1-CB 4.15Å; F281-V338 HydrophobicContact CE1-CG1 4.03Å; F281-V338 HydrophobicContact CE1-CG2 3.57Å; F281-V338 HydrophobicContact CZ-CG1 3.92Å; F281-V338 HydrophobicContact CZ-CG2 4.21Å; N335-V338 PolarHBondContact O-N 3.43Å; T336-V338 VanDerWaalsContact C-N 3.27Å; V338-I340 PolarHBondContact O-N 3.26Å |
| 339 | P | 71.9 | Confident | 84.3 | Confident | 5 Ų | 5 | 12.4 Ų | 12.4 | 3% | 0.032 | 7% | 0.07 | C | C | . | . | trans | -74 | 115.1 | -169.4 | 25.9 | -36.7 | 0 | 0 | 0 | 112.3 | V337 S341 L342 F874 | V337-P339 WeakPolarHBondContact O-CD 3.47Å; P339-S341 PolarHBondContact O-N 3.14Å; P339-L342 HydrophobicContact CB-CB 4.46Å; P339-L342 HydrophobicContact CG-CB 4.03Å; P339-L342 VanDerWaalsContact O-CB 3.26Å; P339-L342 WeakPolarHBondContact O-CB 3.24Å; P339-L342 PolarHBondContact O-N 3.06Å; P339-L342 VanDerWaalsContact O-N 3.11Å; P339-F874 HydrophobicContact CB-CE1 3.5Å; P339-F874 VanDerWaalsContact CB-CE1 3.5Å; P339-F874 HydrophobicContact CB-CZ 4Å; P339-F874 HydrophobicContact CG-CD1 4.06Å; P339-F874 HydrophobicContact CG-CE1 3.36Å; P339-F874 HydrophobicContact CG-CZ 4.34Å | ||
| 340 | I | 77.8 | Confident | 84.3 | Confident | 25 Ų | 25 | 11.8 Ų | 11.8 | 13% | 0.128 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -52.1 | -41.5 | 172.1 | -61.7 | 170.4 | 0 | 0 | 0 | 111 | F61 T81 P84 V88 V338 L342 | F61-I340 HydrophobicContact CD1-CD1 3.56Å; F61-I340 HydrophobicContact CD1-CG1 3.44Å; F61-I340 VanDerWaalsContact CD1-CG1 3.44Å; F61-I340 HydrophobicContact CD2-CD1 4.4Å; F61-I340 HydrophobicContact CD2-CG1 3.76Å; F61-I340 HydrophobicContact CE1-CB 4.44Å; F61-I340 HydrophobicContact CE1-CD1 3.72Å; F61-I340 HydrophobicContact CE1-CG1 3.12Å; F61-I340 HydrophobicContact CE2-CB 4.23Å; F61-I340 HydrophobicContact CE2-CG1 3.47Å; F61-I340 VanDerWaalsContact CE2-CG1 3.47Å; F61-I340 HydrophobicContact CG-CD1 3.96Å; F61-I340 HydrophobicContact CG-CG1 3.77Å; F61-I340 HydrophobicContact CZ-CB 4.1Å; F61-I340 HydrophobicContact CZ-CD1 4.21Å; F61-I340 HydrophobicContact CZ-CG1 3.15Å; T81-I340 HydrophobicContact CG2-CD1 4.36Å; P84-I340 HydrophobicContact CB-CB 4.35Å; P84-I340 HydrophobicContact CB-CD1 3.95Å; P84-I340 HydrophobicContact CB-CG2 3.96Å; V88-I340 HydrophobicContact CG2-CG2 3.25Å; V338-I340 PolarHBondContact O-N 3.26Å; I340-L342 PolarHBondContact O-N 2.92Å |
| 341 | S | 80.8 | Confident | 84.2 | Confident | 19 Ų | 19 | 14.3 Ų | 14.3 | 13% | 0.133 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.8 | -12.4 | -175.7 | 57 | 0 | 0 | 0 | 0 | 114 | P339 S345 F874 | P339-S341 PolarHBondContact O-N 3.14Å; S341-S345 VanDerWaalsContact O-CB 3.28Å; S341-S345 WeakPolarHBondContact O-CB 3.29Å; S341-S345 PolarHBondContact O-N 2.7Å; S341-S345 PolarHBondContact O-OG 3.4Å; S341-F874 WeakPolarHBondContact OG-CZ 3.22Å |
| 342 | L | 84.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58 | -54.2 | 175.5 | 176.8 | 58.5 | 0 | 0 | 0 | 110.5 | M273 P339 I340 V344 S345 V346 F870 L871 F874 F875 | M273-L342 HydrophobicContact CG-CD2 4.28Å; M273-L342 HydrophobicContact SD-CD2 3.85Å; M273-L342 HydrophobicContact SD-CG 4.15Å; P339-L342 HydrophobicContact CB-CB 4.46Å; P339-L342 HydrophobicContact CG-CB 4.03Å; P339-L342 VanDerWaalsContact O-CB 3.26Å; P339-L342 WeakPolarHBondContact O-CB 3.24Å; P339-L342 PolarHBondContact O-N 3.06Å; P339-L342 VanDerWaalsContact O-N 3.11Å; I340-L342 PolarHBondContact O-N 2.92Å; L342-V344 VanDerWaalsContact C-N 3.34Å; L342-V344 PolarHBondContact O-N 2.69Å; L342-S345 PolarHBondContact O-N 2.83Å; L342-V346 HydrophobicContact CD1-CG2 4.15Å; L342-V346 WeakPolarHBondContact O-CG2 3.3Å; L342-V346 PolarHBondContact O-N 2.9Å; L342-F870 HydrophobicContact CD1-CE1 3.79Å; L342-F870 HydrophobicContact CD1-CZ 4.08Å; L342-L871 HydrophobicContact CD1-CD2 3.7Å; L342-F874 HydrophobicContact CB-CD1 4.09Å; L342-F874 HydrophobicContact CB-CE1 3.49Å; L342-F874 VanDerWaalsContact CB-CE1 3.49Å; L342-F874 HydrophobicContact CB-CZ 4.01Å; L342-F874 HydrophobicContact CD1-CD1 3.58Å; L342-F874 HydrophobicContact CD1-CE1 3.87Å; L342-F874 HydrophobicContact CD1-CG 4.04Å; L342-F874 HydrophobicContact CG-CD1 4.33Å; L342-F874 HydrophobicContact CG-CE1 4.21Å; L342-F875 HydrophobicContact CD2-CE1 4.14Å; L342-F875 HydrophobicContact CD2-CZ 3.77Å |
| 343 | Y | 80.3 | Confident | 84.5 | Confident | 30 Ų | 30 | 14.7 Ų | 14.7 | 12% | 0.118 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | -174.8 | -69.3 | -82.6 | 0 | 0 | 0 | 111.9 | A57 M273 E347 | A57-Y343 HydrophobicContact CB-CD2 4.46Å; A57-Y343 HydrophobicContact CB-CE2 3.6Å; M273-Y343 HydrophobicContact CE-CD1 3.63Å; M273-Y343 HydrophobicContact CE-CE1 3.29Å; M273-Y343 HydrophobicContact CG-CE1 4.35Å; M273-Y343 HydrophobicContact SD-CD1 3.94Å; M273-Y343 HydrophobicContact SD-CE1 3.59Å; M273-Y343 VanDerWaalsContact SD-CE1 3.59Å; Y343-E347 WeakPolarHBondContact O-CG 3.4Å; Y343-E347 PolarHBondContact O-N 2.93Å; Y343-E347 VanDerWaalsContact O-N 3.12Å |
| 344 | V | 81.6 | Confident | 84.7 | Confident | 17 Ų | 17 | 14.9 Ų | 14.9 | 10% | 0.103 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.4 | 178.3 | 0 | 0 | 0 | 0 | 111 | L87 V88 I91 L342 V346 E347 V348 | L87-V344 HydrophobicContact CD2-CG1 4.38Å; V88-V344 HydrophobicContact CB-CG2 3.67Å; V88-V344 HydrophobicContact CG1-CG2 3.68Å; V88-V344 HydrophobicContact CG2-CG2 3.24Å; I91-V344 HydrophobicContact CD1-CG1 3.63Å; L342-V344 VanDerWaalsContact C-N 3.34Å; L342-V344 PolarHBondContact O-N 2.69Å; V344-V346 VanDerWaalsContact C-N 3.34Å; V344-V346 PolarHBondContact O-N 2.71Å; V344-E347 PolarHBondContact O-N 3.39Å; V344-V348 HydrophobicContact CG1-CG2 4.34Å; V344-V348 WeakPolarHBondContact O-CG2 3.42Å; V344-V348 PolarHBondContact O-N 3.06Å |
| 345 | S | 86.7 | Confident | 84.8 | Confident | 11 Ų | 11 | 19.4 Ų | 19.4 | 8% | 0.077 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | -179.1 | -57.7 | 0 | 0 | 0 | 0 | 111 | S341 L342 E347 V348 L349 F870 | S341-S345 VanDerWaalsContact O-CB 3.28Å; S341-S345 WeakPolarHBondContact O-CB 3.29Å; S341-S345 PolarHBondContact O-N 2.7Å; S341-S345 PolarHBondContact O-OG 3.4Å; L342-S345 PolarHBondContact O-N 2.83Å; S345-E347 VanDerWaalsContact C-N 3.34Å; S345-E347 PolarHBondContact O-N 2.78Å; S345-V348 PolarHBondContact O-N 3.27Å; S345-L349 VanDerWaalsContact O-CG 3.27Å; S345-L349 WeakPolarHBondContact O-CG 3.28Å; S345-L349 PolarHBondContact O-N 3.1Å; S345-F870 VanDerWaalsContact CB-CZ 3.46Å |
| 346 | V | 87.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | L342 V344 L349 R350 M867 F870 L871 | L342-V346 HydrophobicContact CD1-CG2 4.15Å; L342-V346 WeakPolarHBondContact O-CG2 3.3Å; L342-V346 PolarHBondContact O-N 2.9Å; V344-V346 VanDerWaalsContact C-N 3.34Å; V344-V346 PolarHBondContact O-N 2.71Å; V346-L349 PolarHBondContact O-N 2.84Å; V346-R350 WeakPolarHBondContact O-CB 3.34Å; V346-R350 WeakPolarHBondContact O-CG 3.31Å; V346-R350 PolarHBondContact O-N 3.05Å; V346-M867 HydrophobicContact CG1-CE 3.92Å; V346-M867 HydrophobicContact CG1-SD 4.14Å; V346-M867 HydrophobicContact CG2-SD 4.1Å; V346-F870 HydrophobicContact CG2-CD1 4.38Å; V346-F870 HydrophobicContact CG2-CE1 3.58Å; V346-F870 HydrophobicContact CG2-CZ 4.34Å; V346-L871 HydrophobicContact CG2-CD2 4.28Å |
| 347 | E | 84.5 | Confident | 86 | Confident | 26 Ų | 26 | 20.9 Ų | 20.9 | 12% | 0.121 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 177.7 | -69.9 | -64 | 146.5 | 0 | 0 | 112.3 | K95 Y343 V344 S345 R350 L351 | K95-E347 IonicContact NZ-OE1 3.55Å; K95-E347 IonicContact NZ-OE2 3.12Å; K95-E347 PolarHBondContact NZ-OE2 3.05Å; Y343-E347 WeakPolarHBondContact O-CG 3.4Å; Y343-E347 PolarHBondContact O-N 2.93Å; Y343-E347 VanDerWaalsContact O-N 3.12Å; V344-E347 PolarHBondContact O-N 3.39Å; S345-E347 VanDerWaalsContact C-N 3.34Å; S345-E347 PolarHBondContact O-N 2.78Å; E347-R350 PolarHBondContact O-N 3.38Å; E347-R350 IonicContact OE1-NH1 2.73Å; E347-R350 PolarHBondContact OE1-NH1 2.96Å; E347-R350 VanDerWaalsContact OE1-NH1 3.12Å; E347-L351 WeakPolarHBondContact O-CG 3.27Å; E347-L351 PolarHBondContact O-N 3.09Å |
| 348 | V | 87.3 | Confident | 86.6 | Confident | 52 Ų | 52 | 23.1 Ų | 23.1 | 32% | 0.315 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | V344 S345 L351 G352 L918 | V344-V348 HydrophobicContact CG1-CG2 4.34Å; V344-V348 WeakPolarHBondContact O-CG2 3.42Å; V344-V348 PolarHBondContact O-N 3.06Å; S345-V348 PolarHBondContact O-N 3.27Å; V348-L351 PolarHBondContact O-N 3.12Å; V348-G352 PolarHBondContact O-N 3.25Å; V348-L918 HydrophobicContact CB-CD2 4.39Å; V348-L918 HydrophobicContact CG1-CD2 4.16Å |
| 349 | L | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.9 | -70.1 | -176.9 | 0 | 0 | 0 | 111.7 | S345 V346 L351 G352 H353 M867 F870 L918 G921 L922 | S345-L349 VanDerWaalsContact O-CG 3.27Å; S345-L349 WeakPolarHBondContact O-CG 3.28Å; S345-L349 PolarHBondContact O-N 3.1Å; V346-L349 PolarHBondContact O-N 2.84Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L349-L351 PolarHBondContact O-N 3.29Å; L349-G352 PolarHBondContact O-N 2.86Å; L349-H353 PolarHBondContact O-CD2 3.26Å; L349-H353 VanDerWaalsContact O-CD2 3.31Å; L349-H353 VanDerWaalsContact O-CG 3.27Å; L349-H353 PolarHBondContact O-N 3.24Å; L349-M867 HydrophobicContact CB-CE 4.31Å; L349-F870 HydrophobicContact CD1-CB 3.96Å; L349-F870 HydrophobicContact CD1-CD1 3.76Å; L349-F870 HydrophobicContact CD1-CD2 3.53Å; L349-F870 HydrophobicContact CD1-CE1 4.21Å; L349-F870 HydrophobicContact CD1-CE2 3.97Å; L349-F870 HydrophobicContact CD1-CG 3.44Å; L349-F870 VanDerWaalsContact CD1-CG 3.44Å; L349-F870 HydrophobicContact CD1-CZ 4.33Å; L349-L918 HydrophobicContact CD2-CD2 3.99Å; L349-L918 HydrophobicContact CG-CD2 4.2Å; L349-G921 VanDerWaalsContact CD2-C 3.49Å; L349-L922 HydrophobicContact CD2-CD2 3.77Å; L349-L922 HydrophobicContact CD2-CG 3.61Å |
| 350 | R | 89.7 | Confident | 88.4 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.5 | -44.8 | 175.3 | -81.6 | 168.3 | 172 | 166.7 | 7.6 | 112 | T267 D270 V346 E347 H353 S354 T377 T378 N380 E381 M867 | T267-R350 PolarHBondContact OG1-NH2 3.06Å; D270-R350 VanDerWaalsContact CG-NH2 3.34Å; D270-R350 IonicContact OD1-CZ 2.93Å; D270-R350 IonicContact OD1-NH1 3.05Å; D270-R350 PolarHBondContact OD1-NH1 3.17Å; D270-R350 IonicContact OD1-NH2 3.08Å; D270-R350 PolarHBondContact OD1-NH2 2.91Å; D270-R350 IonicContact OD2-NH1 3.56Å; D270-R350 IonicContact OD2-NH2 3.89Å; V346-R350 WeakPolarHBondContact O-CB 3.34Å; V346-R350 WeakPolarHBondContact O-CG 3.31Å; V346-R350 PolarHBondContact O-N 3.05Å; E347-R350 PolarHBondContact O-N 3.38Å; E347-R350 IonicContact OE1-NH1 2.73Å; E347-R350 PolarHBondContact OE1-NH1 2.96Å; E347-R350 VanDerWaalsContact OE1-NH1 3.12Å; R350-H353 PolarHBondContact O-N 3.41Å; R350-S354 WeakPolarHBondContact O-CB 3.45Å; R350-S354 PolarHBondContact O-N 2.88Å; R350-T377 WeakPolarHBondContact CB-O 3.3Å; R350-T378 PolarHBondContact NE-O 2.8Å; R350-N380 PolarHBondContact O-ND2 2.59Å; R350-E381 IonicContact CZ-OE1 3.66Å; R350-E381 VanDerWaalsContact CZ-OE1 3.29Å; R350-E381 IonicContact NE-OE1 2.82Å; R350-E381 PolarHBondContact NE-OE1 3.28Å; R350-E381 VanDerWaalsContact NE-OE1 3.12Å; R350-E381 IonicContact NE-OE2 2.65Å; R350-E381 PolarHBondContact NE-OE2 3.24Å; R350-E381 IonicContact NH2-OE1 3.55Å; R350-E381 PolarHBondContact NH2-OE1 3.15Å; R350-M867 HydrophobicContact CG-CE 4.03Å |
| 351 | L | 88 | Confident | 89.1 | Confident | 55 Ų | 55 | 39.3 Ų | 39.3 | 29% | 0.288 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.5 | -72.9 | 170.8 | 0 | 0 | 0 | 111.7 | E347 V348 L349 H353 S354 F355 T377 | E347-L351 WeakPolarHBondContact O-CG 3.27Å; E347-L351 PolarHBondContact O-N 3.09Å; V348-L351 PolarHBondContact O-N 3.12Å; L349-L351 VanDerWaalsContact C-N 3.34Å; L349-L351 PolarHBondContact O-N 3.29Å; L351-H353 PolarHBondContact O-N 2.97Å; L351-S354 WeakPolarHBondContact O-CB 3.36Å; L351-S354 PolarHBondContact O-N 3.09Å; L351-F355 WeakPolarHBondContact O-CD2 2.87Å; L351-F355 PolarHBondContact O-N 3.36Å; L351-T377 HydrophobicContact CD2-CG2 3.95Å |
| 352 | G | 91.1 | Very high | 89.6 | Confident | 14 Ų | 14 | 44 Ų | 44 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V348 L349 F355 F356 | V348-G352 PolarHBondContact O-N 3.25Å; L349-G352 PolarHBondContact O-N 2.86Å; G352-F355 PolarHBondContact O-N 2.9Å; G352-F356 WeakPolarHBondContact O-CD2 3.39Å; G352-F356 WeakPolarHBondContact O-CG 3.21Å; G352-F356 PolarHBondContact O-N 3.11Å |
| 353 | H | 93.7 | Very high | 90 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 175.7 | -64.9 | 175.1 | 0 | 0 | 0 | 112 | L349 R350 L351 F355 F356 I357 N380 S863 G921 | L349-H353 PolarHBondContact O-CD2 3.26Å; L349-H353 VanDerWaalsContact O-CD2 3.31Å; L349-H353 VanDerWaalsContact O-CG 3.27Å; L349-H353 PolarHBondContact O-N 3.24Å; R350-H353 PolarHBondContact O-N 3.41Å; L351-H353 PolarHBondContact O-N 2.97Å; H353-F355 PolarHBondContact O-N 3.33Å; H353-F356 PolarHBondContact O-N 3.28Å; H353-I357 PolarHBondContact O-N 2.79Å; H353-I357 VanDerWaalsContact O-N 3.14Å; H353-N380 HydrophobicContact CB-CB 4.03Å; H353-S863 PolarHBondContact ND1-OG 3.42Å; H353-G921 PolarHBondContact NE2-O 2.9Å |
| 354 | S | 90.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | R350 L351 F356 I357 N358 A374 N380 | R350-S354 WeakPolarHBondContact O-CB 3.45Å; R350-S354 PolarHBondContact O-N 2.88Å; L351-S354 WeakPolarHBondContact O-CB 3.36Å; L351-S354 PolarHBondContact O-N 3.09Å; S354-F356 VanDerWaalsContact C-N 3.35Å; S354-F356 PolarHBondContact O-N 3.38Å; S354-I357 PolarHBondContact O-N 3.31Å; S354-N358 VanDerWaalsContact O-CG 3.28Å; S354-N358 PolarHBondContact O-N 3.25Å; S354-N358 VanDerWaalsContact O-N 3.07Å; S354-N358 PolarHBondContact O-OD1 3.03Å; S354-A374 WeakPolarHBondContact OG-CB 3.48Å; S354-A374 PolarHBondContact OG-O 3.48Å; S354-N380 PolarHBondContact N-ND2 3.19Å |
| 355 | F | 91.9 | Very high | 91 | Very high | 100 Ų | 100 | 47 Ų | 47 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 174.5 | -74.9 | -60.8 | 0 | 0 | 0 | 112.8 | L351 G352 H353 I357 N358 W359 | L351-F355 WeakPolarHBondContact O-CD2 2.87Å; L351-F355 PolarHBondContact O-N 3.36Å; G352-F355 PolarHBondContact O-N 2.9Å; H353-F355 PolarHBondContact O-N 3.33Å; F355-I357 VanDerWaalsContact C-N 3.29Å; F355-I357 PolarHBondContact O-N 2.91Å; F355-N358 PolarHBondContact O-N 3.39Å; F355-W359 HydrophobicContact CB-CD2 4.37Å; F355-W359 HydrophobicContact CB-CE3 4.26Å; F355-W359 HydrophobicContact CB-CH2 4.13Å; F355-W359 HydrophobicContact CB-CZ2 4.23Å; F355-W359 HydrophobicContact CB-CZ3 4.15Å; F355-W359 HydrophobicContact CD1-CZ2 4.1Å; F355-W359 HydrophobicContact CG-CH2 4.42Å; F355-W359 HydrophobicContact CG-CZ2 4.32Å; F355-W359 WeakPolarHBondContact O-CB 3.42Å; F355-W359 VanDerWaalsContact O-CG 3.28Å; F355-W359 PolarHBondContact O-N 2.87Å |
| 356 | F | 93.9 | Very high | 91.1 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 25% | 0.25 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -31.6 | 176.3 | -66.4 | -33.6 | 0 | 0 | 0 | 113.5 | G352 H353 S354 W359 D360 L922 F923 | G352-F356 WeakPolarHBondContact O-CD2 3.39Å; G352-F356 WeakPolarHBondContact O-CG 3.21Å; G352-F356 PolarHBondContact O-N 3.11Å; H353-F356 PolarHBondContact O-N 3.28Å; S354-F356 VanDerWaalsContact C-N 3.35Å; S354-F356 PolarHBondContact O-N 3.38Å; F356-W359 HydrophobicContact CD1-CE3 4.3Å; F356-D360 PolarHBondContact O-N 2.89Å; F356-L922 HydrophobicContact CE2-CB 4.31Å; F356-L922 HydrophobicContact CE2-CD2 4.35Å; F356-L922 WeakPolarHBondContact CE2-O 3.37Å; F356-F923 HydrophobicContact CE1-CE1 4.42Å; F356-F923 HydrophobicContact CZ-CD1 4.18Å; F356-F923 AromaticContact CZ-CE1 3.74Å; F356-F923 HydrophobicContact CZ-CE1 3.74Å; F356-F923 HydrophobicContact CZ-CZ 4.4Å |
| 357 | I | 94.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.5 | -46.9 | 171.7 | -67.5 | 167.4 | 0 | 0 | 0 | 109.7 | H353 S354 F355 W359 D360 M363 A372 A374 N380 L383 Y844 L855 H859 | H353-I357 PolarHBondContact O-N 2.79Å; H353-I357 VanDerWaalsContact O-N 3.14Å; S354-I357 PolarHBondContact O-N 3.31Å; F355-I357 VanDerWaalsContact C-N 3.29Å; F355-I357 PolarHBondContact O-N 2.91Å; I357-W359 VanDerWaalsContact C-N 3.29Å; I357-W359 PolarHBondContact O-N 3.21Å; I357-D360 PolarHBondContact O-N 3.25Å; I357-M363 HydrophobicContact CG2-CE 3.96Å; I357-A372 HydrophobicContact CG2-CB 4.46Å; I357-A374 HydrophobicContact CB-CB 4.41Å; I357-A374 HydrophobicContact CD1-CB 4.5Å; I357-A374 HydrophobicContact CG2-CB 4.24Å; I357-N380 WeakPolarHBondContact CD1-OD1 3.19Å; I357-L383 HydrophobicContact CD1-CD1 4.39Å; I357-Y844 HydrophobicContact CD1-CE1 3.92Å; I357-L855 HydrophobicContact CD1-CD1 4.08Å; I357-L855 HydrophobicContact CG1-CD1 4.39Å; I357-L855 HydrophobicContact CG2-CD1 4.16Å; I357-H859 HydrophobicContact CD1-CB 4.38Å; I357-H859 HydrophobicContact CG1-CB 3.98Å |
| 358 | N | 92.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.9 | -31.4 | -178.2 | -63.4 | -7.1 | 0 | 0 | 0 | 113.4 | S354 F355 A372 E373 A374 | S354-N358 VanDerWaalsContact O-CG 3.28Å; S354-N358 PolarHBondContact O-N 3.25Å; S354-N358 VanDerWaalsContact O-N 3.07Å; S354-N358 PolarHBondContact O-OD1 3.03Å; F355-N358 PolarHBondContact O-N 3.39Å; N358-A372 WeakPolarHBondContact CA-O 3.37Å; N358-E373 WeakPolarHBondContact OD1-CA 3.39Å; N358-A374 PolarHBondContact OD1-N 3.08Å |
| 359 | W | 94.2 | Very high | 90.7 | Very high | 178 Ų | 178 | 61.6 Ų | 61.6 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.2 | -178.8 | -64.7 | -22.1 | 0 | 0 | 0 | 114.3 | F355 F356 I357 Q361 | F355-W359 HydrophobicContact CB-CD2 4.37Å; F355-W359 HydrophobicContact CB-CE3 4.26Å; F355-W359 HydrophobicContact CB-CH2 4.13Å; F355-W359 HydrophobicContact CB-CZ2 4.23Å; F355-W359 HydrophobicContact CB-CZ3 4.15Å; F355-W359 HydrophobicContact CD1-CZ2 4.1Å; F355-W359 HydrophobicContact CG-CH2 4.42Å; F355-W359 HydrophobicContact CG-CZ2 4.32Å; F355-W359 WeakPolarHBondContact O-CB 3.42Å; F355-W359 VanDerWaalsContact O-CG 3.28Å; F355-W359 PolarHBondContact O-N 2.87Å; F356-W359 HydrophobicContact CD1-CE3 4.3Å; I357-W359 VanDerWaalsContact C-N 3.29Å; I357-W359 PolarHBondContact O-N 3.21Å; W359-Q361 PolarHBondContact O-N 2.75Å; W359-Q361 VanDerWaalsContact O-N 3.14Å |
| 360 | D | 94.8 | Very high | 90.4 | Very high | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.123 | 32% | 0.32 | C | S | . | . | trans | -76.7 | 104.2 | -177.3 | -166.4 | -8.2 | 0 | 0 | 0 | 112.2 | F356 I357 K362 M363 R854 H859 | F356-D360 PolarHBondContact O-N 2.89Å; I357-D360 PolarHBondContact O-N 3.25Å; D360-K362 PolarHBondContact O-N 3.13Å; D360-K362 PolarHBondContact OD1-N 2.95Å; D360-M363 HydrophobicContact CB-CE 3.71Å; D360-M363 HydrophobicContact CB-CG 4.49Å; D360-M363 PolarHBondContact O-N 3.46Å; D360-R854 IonicContact OD1-CZ 3.67Å; D360-R854 IonicContact OD1-NE 3.43Å; D360-R854 IonicContact OD1-NH2 3.81Å; D360-R854 PolarHBondContact OD1-NH2 3.13Å; D360-R854 IonicContact OD2-CZ 3.93Å; D360-R854 VanDerWaalsContact OD2-CZ 3.29Å; D360-R854 IonicContact OD2-NE 3.43Å; D360-R854 PolarHBondContact OD2-NE 2.99Å; D360-R854 IonicContact OD2-NH2 2.68Å; D360-R854 PolarHBondContact OD2-NH2 3.48Å; D360-H859 IonicContact OD2-CD2 3.76Å; D360-H859 IonicContact OD2-CE1 2.71Å; D360-H859 IonicContact OD2-NE2 2.9Å; D360-H859 PolarHBondContact OD2-NE2 2.87Å | ||
| 361 | Q | 92.6 | Very high | 90.5 | Very high | 172 Ų | 172 | 65.2 Ų | 65.2 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -60 | -25.3 | 177.1 | -66.9 | -176.8 | -15.4 | 0 | 0 | 113.6 | W359 M363 Y364 | W359-Q361 PolarHBondContact O-N 2.75Å; W359-Q361 VanDerWaalsContact O-N 3.14Å; Q361-M363 PolarHBondContact O-N 2.82Å; Q361-Y364 WeakPolarHBondContact O-CB 3.14Å; Q361-Y364 PolarHBondContact O-N 2.82Å |
| 362 | K | 91.8 | Very high | 90.6 | Very high | 116 Ų | 116 | 62.9 Ų | 62.9 | 50% | 0.504 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -76.7 | -9.1 | 178 | -62.2 | -172.1 | -166.9 | 170.3 | 0 | 113 | D360 Y851 D929 | D360-K362 PolarHBondContact O-N 3.13Å; D360-K362 PolarHBondContact OD1-N 2.95Å; K362-Y851 VanDerWaalsContact O-CE1 3.29Å; K362-Y851 WeakPolarHBondContact O-CE1 3.37Å; K362-D929 IonicContact NZ-OD2 3.81Å; K362-D929 PolarHBondContact NZ-OD2 2.92Å |
| 363 | M | 92.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -109.7 | 16 | 172.4 | -59 | -168.5 | -63.9 | 0 | 0 | 112 | I357 D360 Q361 A372 Y851 R854 L855 H859 | I357-M363 HydrophobicContact CG2-CE 3.96Å; D360-M363 HydrophobicContact CB-CE 3.71Å; D360-M363 HydrophobicContact CB-CG 4.49Å; D360-M363 PolarHBondContact O-N 3.46Å; Q361-M363 PolarHBondContact O-N 2.82Å; M363-A372 HydrophobicContact CB-CB 3.8Å; M363-A372 HydrophobicContact CE-CB 4.15Å; M363-A372 PolarHBondContact O-N 3.46Å; M363-Y851 HydrophobicContact CB-CD1 4.31Å; M363-Y851 HydrophobicContact CB-CG 4.26Å; M363-Y851 HydrophobicContact CG-CD1 4.31Å; M363-Y851 HydrophobicContact CG-CG 4.43Å; M363-R854 HydrophobicContact CG-CB 4.4Å; M363-R854 HydrophobicContact CG-CG 4.21Å; M363-R854 HydrophobicContact SD-CB 4.2Å; M363-R854 HydrophobicContact SD-CG 4.1Å; M363-L855 HydrophobicContact SD-CB 4.4Å; M363-H859 VanDerWaalsContact CE-CD2 3.45Å; M363-H859 WeakPolarHBondContact CE-CD2 3.33Å; M363-H859 WeakPolarHBondContact CE-NE2 3.4Å |
| 364 | Y | 92.6 | Very high | 90.3 | Very high | 81 Ų | 81 | 66.3 Ų | 66.3 | 32% | 0.318 | 34% | 0.337 | S | S | . | . | trans | -95.9 | 129.7 | 174.8 | 173.8 | -100.9 | 0 | 0 | 0 | 110.4 | Q361 N366 D369 P371 Y851 | Q361-Y364 WeakPolarHBondContact O-CB 3.14Å; Q361-Y364 PolarHBondContact O-N 2.82Å; Y364-N366 WeakPolarHBondContact CD1-OD1 3.48Å; Y364-N366 WeakPolarHBondContact CE1-OD1 3.25Å; Y364-D369 PolarHBondContact OH-OD1 2.81Å; Y364-P371 HydrophobicContact CD2-CB 4.04Å; Y364-Y851 PolarHBondContact O-OH 3.34Å | ||
| 365 | H | 90.1 | Very high | 90 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -99.5 | 109.5 | 179.6 | -174.5 | -113 | 0 | 0 | 0 | 111.3 | A367 S368 D369 T370 A847 Q848 Y851 | H365-A367 PolarHBondContact O-N 3.43Å; H365-S368 WeakPolarHBondContact ND1-CB 3.39Å; H365-S368 PolarHBondContact ND1-N 2.97Å; H365-S368 PolarHBondContact ND1-OG 2.83Å; H365-D369 PolarHBondContact O-N 3Å; H365-D369 VanDerWaalsContact O-N 3.11Å; H365-T370 PolarHBondContact N-O 2.8Å; H365-T370 PolarHBondContact O-N 3.02Å; H365-A847 HydrophobicContact CB-CB 3.51Å; H365-Q848 VanDerWaalsContact CD2-CD 3.5Å; H365-Q848 PolarHBondContact NE2-NE2 2.8Å; H365-Y851 HydrophobicContact CB-CE2 4.2Å |
| 366 | N | 87.8 | Confident | 89.5 | Confident | 130 Ų | 130 | 67.4 Ų | 67.4 | 70% | 0.695 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -37.7 | -175.2 | -68.1 | -12.6 | 0 | 0 | 0 | 113.7 | Y364 | Y364-N366 WeakPolarHBondContact CD1-OD1 3.48Å; Y364-N366 WeakPolarHBondContact CE1-OD1 3.25Å |
| 367 | A | 84.7 | Confident | 88.8 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 78% | 0.777 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -27.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | H365 | H365-A367 PolarHBondContact O-N 3.43Š|
| 368 | S | 79.7 | Confident | 88.2 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 1.8 | 177.5 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | H365 T370 | H365-S368 WeakPolarHBondContact ND1-CB 3.39Å; H365-S368 PolarHBondContact ND1-N 2.97Å; H365-S368 PolarHBondContact ND1-OG 2.83Å; S368-T370 VanDerWaalsContact C-N 3.25Å; S368-T370 WeakPolarHBondContact CB-OG1 3.36Å; S368-T370 PolarHBondContact O-N 3.45Å; S368-T370 PolarHBondContact O-OG1 2.91Å; S368-T370 WeakPolarHBondContact OG-CB 3.24Å; S368-T370 PolarHBondContact OG-OG1 3.35Å |
| 369 | D | 87.3 | Confident | 88 | Confident | 120 Ų | 120 | 63.2 Ų | 63.2 | 64% | 0.642 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 48.6 | -174.7 | -171.5 | 16.4 | 0 | 0 | 0 | 111.7 | Y364 H365 | Y364-D369 PolarHBondContact OH-OD1 2.81Å; H365-D369 PolarHBondContact O-N 3Å; H365-D369 VanDerWaalsContact O-N 3.11Å |
| 370 | T | 85.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 19% | 0.19 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -123.1 | 113 | -173.7 | -44.6 | 0 | 0 | 0 | 0 | 110.4 | H365 S368 | H365-T370 PolarHBondContact N-O 2.8Å; H365-T370 PolarHBondContact O-N 3.02Å; S368-T370 VanDerWaalsContact C-N 3.25Å; S368-T370 WeakPolarHBondContact CB-OG1 3.36Å; S368-T370 PolarHBondContact O-N 3.45Å; S368-T370 PolarHBondContact O-OG1 2.91Å; S368-T370 WeakPolarHBondContact OG-CB 3.24Å; S368-T370 PolarHBondContact OG-OG1 3.35Å |
| 371 | P | 90.8 | Very high | 87.8 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | trans | -77.7 | 164 | 171.2 | 32.3 | -33.6 | 0 | 0 | 0 | 111.7 | Y364 E373 | Y364-P371 HydrophobicContact CD2-CB 4.04Å; P371-E373 HydrophobicContact CG-CG 4.42Å | ||
| 372 | A | 91.8 | Very high | 87.8 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | trans | -70.4 | 133.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I357 N358 M363 S845 F846 | I357-A372 HydrophobicContact CG2-CB 4.46Å; N358-A372 WeakPolarHBondContact CA-O 3.37Å; M363-A372 HydrophobicContact CB-CB 3.8Å; M363-A372 HydrophobicContact CE-CB 4.15Å; M363-A372 PolarHBondContact O-N 3.46Å; A372-S845 CarbonylContact C-O 3.59Å; A372-S845 WeakPolarHBondContact CA-O 3.23Å; A372-F846 HydrophobicContact CB-CB 4.18Å | ||
| 373 | E | 89 | Confident | 87.9 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.1 | 177.5 | -66.7 | -174.6 | 162 | 0 | 0 | 110.4 | N358 P371 R375 Y844 S845 | N358-E373 WeakPolarHBondContact OD1-CA 3.39Å; P371-E373 HydrophobicContact CG-CG 4.42Å; E373-R375 IonicContact OE2-NE 3.71Å; E373-R375 IonicContact OE2-NH2 2.83Å; E373-Y844 CarbonylContact O-C 3.56Å; E373-Y844 WeakPolarHBondContact O-CA 3.43Å; E373-S845 PolarHBondContact N-O 3.42Å; E373-S845 PolarHBondContact O-N 3.47Å |
| 374 | A | 88.8 | Confident | 88 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 98.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S354 I357 N358 Y844 | S354-A374 WeakPolarHBondContact OG-CB 3.48Å; S354-A374 PolarHBondContact OG-O 3.48Å; I357-A374 HydrophobicContact CB-CB 4.41Å; I357-A374 HydrophobicContact CD1-CB 4.5Å; I357-A374 HydrophobicContact CG2-CB 4.24Å; N358-A374 PolarHBondContact OD1-N 3.08Å; A374-Y844 HydrophobicContact CB-CD1 3.76Å; A374-Y844 HydrophobicContact CB-CE1 3.71Å |
| 375 | R | 83.1 | Confident | 88 | Confident | 88 Ų | 88 | 36.6 Ų | 36.6 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | trans | -79.4 | -37.8 | -178.5 | -64.7 | 176.8 | 168 | -123.8 | -9.8 | 112 | E373 V839 D843 S845 | E373-R375 IonicContact OE2-NE 3.71Å; E373-R375 IonicContact OE2-NH2 2.83Å; R375-V839 WeakPolarHBondContact CD-O 3.32Å; R375-V839 PolarHBondContact NE-O 2.88Å; R375-V839 PolarHBondContact NH1-O 3.04Å; R375-V839 VanDerWaalsContact NH1-O 3.15Å; R375-D843 WeakPolarHBondContact CA-O 3.44Å; R375-D843 WeakPolarHBondContact CB-O 3.2Å; R375-D843 PolarHBondContact N-O 3.45Å; R375-S845 PolarHBondContact NE-OG 3.29Å | ||
| 376 | T | 81.3 | Confident | 88.3 | Confident | 39 Ų | 39 | 35 Ų | 35 | 24% | 0.239 | 20% | 0.203 | C | C | . | . | trans | -100.7 | 109.3 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | T378 L379 D843 | T376-T378 VanDerWaalsContact C-N 3.31Å; T376-T378 PolarHBondContact O-N 2.92Å; T376-L379 HydrophobicContact CG2-CD1 3.75Å; T376-L379 HydrophobicContact CG2-CG 3.79Å; T376-D843 WeakPolarHBondContact CB-OD1 3.43Å; T376-D843 PolarHBondContact N-O 3.37Å; T376-D843 PolarHBondContact OG1-OD1 3.43Å | ||
| 377 | T | 80.3 | Confident | 88.5 | Confident | 17 Ų | 17 | 31.7 Ų | 31.7 | 10% | 0.104 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -76 | -15.2 | -173.8 | 60 | 0 | 0 | 0 | 0 | 114.3 | K95 R350 L351 N380 | K95-T377 WeakPolarHBondContact CE-OG1 3.3Å; R350-T377 WeakPolarHBondContact CB-O 3.3Å; L351-T377 HydrophobicContact CD2-CG2 3.95Å; T377-N380 PolarHBondContact O-ND2 2.91Å |
| 378 | T | 82.4 | Confident | 89 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -87.5 | -9.3 | -171.3 | 54.2 | 0 | 0 | 0 | 0 | 115.4 | T267 R350 T376 | T267-T378 WeakPolarHBondContact CG2-O 3.37Å; R350-T378 PolarHBondContact NE-O 2.8Å; T376-T378 VanDerWaalsContact C-N 3.31Å; T376-T378 PolarHBondContact O-N 2.92Å |
| 379 | L | 88.7 | Confident | 89.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -105 | 9.7 | -167.2 | -59.4 | 177 | 0 | 0 | 0 | 113.6 | K265 T267 T376 E381 E382 D843 Y844 | K265-L379 HydrophobicContact CB-CD1 4.23Å; K265-L379 HydrophobicContact CB-CD2 4Å; K265-L379 HydrophobicContact CD-CD1 4.09Å; T267-L379 HydrophobicContact CG2-CD2 3.84Å; T376-L379 HydrophobicContact CG2-CD1 3.75Å; T376-L379 HydrophobicContact CG2-CG 3.79Å; L379-E381 VanDerWaalsContact C-N 3.33Å; L379-E381 PolarHBondContact O-N 2.98Å; L379-E382 PolarHBondContact O-N 2.97Å; L379-D843 HydrophobicContact CD1-CB 3.96Å; L379-D843 VanDerWaalsContact CD1-CG 3.44Å; L379-Y844 HydrophobicContact CB-CE2 4.45Å; L379-Y844 PolarHBondContact O-OH 3.16Å |
| 380 | N | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -39.6 | -171 | -65.7 | -44.2 | 0 | 0 | 0 | 112.1 | R350 H353 S354 I357 T377 E382 L383 Y844 S863 | R350-N380 PolarHBondContact O-ND2 2.59Å; H353-N380 HydrophobicContact CB-CB 4.03Å; S354-N380 PolarHBondContact N-ND2 3.19Å; I357-N380 WeakPolarHBondContact CD1-OD1 3.19Å; T377-N380 PolarHBondContact O-ND2 2.91Å; N380-E382 PolarHBondContact O-N 3.13Å; N380-L383 WeakPolarHBondContact O-CB 3.42Å; N380-L383 PolarHBondContact O-N 3.29Å; N380-Y844 VanDerWaalsContact CA-OH 3.27Å; N380-Y844 WeakPolarHBondContact CA-OH 3.2Å; N380-Y844 PolarHBondContact N-OH 3.01Å; N380-Y844 PolarHBondContact OD1-OH 3.09Å; N380-S863 WeakPolarHBondContact CB-OG 3.46Å; N380-S863 WeakPolarHBondContact O-CB 3.39Å; N380-S863 PolarHBondContact O-OG 3.01Å |
| 381 | E | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -72.4 | -27.1 | 180 | 65.5 | -92.5 | -154.5 | 0 | 0 | 113.6 | T267 I269 R350 L379 L383 G384 S863 M867 | T267-E381 HydrophobicContact CG2-CG 4.49Å; T267-E381 WeakPolarHBondContact CG2-OE1 3.43Å; T267-E381 PolarHBondContact OG1-OE1 3.47Å; T267-E381 VanDerWaalsContact OG1-OE1 3.14Å; I269-E381 HydrophobicContact CD1-CB 4.27Å; I269-E381 HydrophobicContact CD1-CG 3.94Å; I269-E381 HydrophobicContact CG1-CG 4.33Å; R350-E381 IonicContact CZ-OE1 3.66Å; R350-E381 VanDerWaalsContact CZ-OE1 3.29Å; R350-E381 IonicContact NE-OE1 2.82Å; R350-E381 PolarHBondContact NE-OE1 3.28Å; R350-E381 VanDerWaalsContact NE-OE1 3.12Å; R350-E381 IonicContact NE-OE2 2.65Å; R350-E381 PolarHBondContact NE-OE2 3.24Å; R350-E381 IonicContact NH2-OE1 3.55Å; R350-E381 PolarHBondContact NH2-OE1 3.15Å; L379-E381 VanDerWaalsContact C-N 3.33Å; L379-E381 PolarHBondContact O-N 2.98Å; E381-L383 PolarHBondContact O-N 3.19Å; E381-G384 PolarHBondContact O-N 2.75Å; E381-G384 VanDerWaalsContact O-N 3.16Å; E381-S863 PolarHBondContact N-OG 3.06Å; E381-M867 HydrophobicContact CB-CB 4.31Å; E381-M867 HydrophobicContact CB-CG 4.48Å |
| 382 | E | 92.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.019 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -70.9 | -23.8 | 178.7 | -74.2 | -156.1 | 146.3 | 0 | 0 | 111.6 | T267 S268 L379 N380 G384 Q385 V807 I826 | T267-E382 WeakPolarHBondContact CA-OE1 3.49Å; T267-E382 HydrophobicContact CG2-CG 3.7Å; S268-E382 PolarHBondContact N-OE1 3.38Å; L379-E382 PolarHBondContact O-N 2.97Å; N380-E382 PolarHBondContact O-N 3.13Å; E382-G384 PolarHBondContact O-N 3.46Å; E382-G384 VanDerWaalsContact O-N 3.09Å; E382-Q385 PolarHBondContact O-N 3.44Å; E382-V807 HydrophobicContact CB-CG1 4.39Å; E382-I826 HydrophobicContact CB-CD1 3.78Å; E382-I826 HydrophobicContact CB-CG1 4.32Å |
| 383 | L | 94.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -60 | -17.7 | 172.5 | -69.7 | 171.5 | 0 | 0 | 0 | 112.4 | I357 N380 E381 L809 I826 Y844 L855 L856 G860 Y939 | I357-L383 HydrophobicContact CD1-CD1 4.39Å; N380-L383 WeakPolarHBondContact O-CB 3.42Å; N380-L383 PolarHBondContact O-N 3.29Å; E381-L383 PolarHBondContact O-N 3.19Å; L383-L809 HydrophobicContact CD2-CD1 4.28Å; L383-I826 HydrophobicContact CD2-CD1 3.79Å; L383-I826 HydrophobicContact CD2-CG2 3.92Å; L383-I826 HydrophobicContact CG-CD1 4.11Å; L383-Y844 HydrophobicContact CD1-CE1 3.88Å; L383-Y844 HydrophobicContact CD1-CE2 3.92Å; L383-Y844 VanDerWaalsContact CD1-CZ 3.5Å; L383-Y844 WeakPolarHBondContact CD1-OH 3.3Å; L383-Y844 HydrophobicContact CD2-CD2 4.26Å; L383-Y844 HydrophobicContact CD2-CE2 3.84Å; L383-Y844 HydrophobicContact CG-CE2 3.99Å; L383-L855 HydrophobicContact CD1-CD1 3.75Å; L383-L855 HydrophobicContact CD1-CG 4Å; L383-L855 HydrophobicContact CD2-CD2 4.19Å; L383-L855 HydrophobicContact CD2-CG 4.22Å; L383-L856 HydrophobicContact CB-CD2 4.16Å; L383-L856 HydrophobicContact CD2-CD2 3.72Å; L383-L856 WeakPolarHBondContact O-CD2 3.1Å; L383-G860 VanDerWaalsContact CB-CA 3.42Å; L383-Y939 PolarHBondContact O-OH 3.49Å |
| 384 | G | 93.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -87.3 | -1.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E381 E382 G860 Y939 G942 | E381-G384 PolarHBondContact O-N 2.75Å; E381-G384 VanDerWaalsContact O-N 3.16Å; E382-G384 PolarHBondContact O-N 3.46Å; E382-G384 VanDerWaalsContact O-N 3.09Å; G384-G860 VanDerWaalsContact CA-C 3.49Å; G384-G860 WeakPolarHBondContact CA-O 3.41Å; G384-G860 PolarHBondContact N-O 3.48Å; G384-Y939 VanDerWaalsContact C-CZ 3.49Å; G384-G942 WeakPolarHBondContact O-CA 3.45Å |
| 385 | Q | 93.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 12.7 Ų | 12.7 | 2% | 0.019 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -123.7 | 8.2 | -171.9 | -58.2 | 176.9 | -55.4 | 0 | 0 | 113.2 | S268 E382 E387 V807 Y864 Y939 N945 | S268-Q385 PolarHBondContact OG-NE2 2.64Å; S268-Q385 PolarHBondContact OG-OE1 2.82Å; E382-Q385 PolarHBondContact O-N 3.44Å; Q385-E387 PolarHBondContact O-N 2.74Å; Q385-V807 HydrophobicContact CB-CB 4.43Å; Q385-V807 HydrophobicContact CB-CG2 3.9Å; Q385-V807 WeakPolarHBondContact O-CB 3.24Å; Q385-Y864 HydrophobicContact CG-CD2 3.8Å; Q385-Y864 HydrophobicContact CG-CE2 3.84Å; Q385-Y864 HydrophobicContact CG-CG 4.32Å; Q385-Y939 PolarHBondContact N-OH 3.42Å; Q385-N945 PolarHBondContact NE2-OD1 3.14Å |
| 386 | V | 95.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 127.7 | -173.8 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | I389 V807 L809 I826 L856 Y939 Q943 | V386-I389 HydrophobicContact CG1-CG1 3.99Å; V386-V807 HydrophobicContact CG2-CG1 4.23Å; V386-L809 HydrophobicContact CG1-CB 3.64Å; V386-L809 HydrophobicContact CG1-CD1 4.43Å; V386-L809 HydrophobicContact CG2-CB 4.22Å; V386-L809 HydrophobicContact CG2-CD1 4.1Å; V386-I826 HydrophobicContact CG2-CD1 3.87Å; V386-L856 HydrophobicContact CB-CD2 4.48Å; V386-L856 HydrophobicContact CG2-CD2 3.98Å; V386-Y939 WeakPolarHBondContact CB-OH 3.39Å; V386-Y939 PolarHBondContact N-OH 3.43Å; V386-Y939 WeakPolarHBondContact O-CE1 3.48Å; V386-Q943 PolarHBondContact O-NE2 3.44Å |
| 387 | E | 92.9 | Very high | 90.4 | Very high | 60 Ų | 60 | 6.7 Ų | 6.7 | 28% | 0.28 | 4% | 0.036 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -33.9 | 176.4 | -70.6 | 176.7 | -159.1 | 0 | 0 | 112.3 | Q385 K669 A806 V807 Q943 | Q385-E387 PolarHBondContact O-N 2.74Å; E387-K669 PolarHBondContact O-N 2.81Å; E387-A806 HydrophobicContact CB-CB 4.17Å; E387-A806 WeakPolarHBondContact OE2-CB 3.36Å; E387-V807 PolarHBondContact N-O 2.79Å; E387-V807 VanDerWaalsContact N-O 3.09Å; E387-Q943 HydrophobicContact CG-CB 3.94Å; E387-Q943 HydrophobicContact CG-CG 3.88Å |
| 388 | F | 94.5 | Very high | 90.7 | Very high | 8 Ų | 8 | 5.9 Ų | 5.9 | 4% | 0.035 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.6 | -178.3 | -67.1 | -94.3 | 0 | 0 | 0 | 110.8 | F390 K669 W671 V800 A806 V807 T808 L809 | F388-F390 HydrophobicContact CB-CE2 3.96Å; F388-F390 HydrophobicContact CB-CZ 4.16Å; F388-K669 WeakPolarHBondContact CA-O 3.37Å; F388-K669 HydrophobicContact CD1-CB 3.89Å; F388-K669 HydrophobicContact CD1-CD 4.49Å; F388-K669 HydrophobicContact CE1-CB 4.02Å; F388-K669 HydrophobicContact CE1-CD 3.76Å; F388-K669 HydrophobicContact CE1-CG 4.44Å; F388-K669 HydrophobicContact CZ-CD 4.1Å; F388-W671 HydrophobicContact CD1-CZ2 4.26Å; F388-W671 AromaticContact CE1-CZ2 3.96Å; F388-W671 HydrophobicContact CE1-CZ2 3.96Å; F388-V800 HydrophobicContact CD1-CG1 4.19Å; F388-V800 HydrophobicContact CD2-CG1 3.94Å; F388-V800 HydrophobicContact CE1-CG1 4.39Å; F388-V800 HydrophobicContact CE2-CG1 4.17Å; F388-V800 HydrophobicContact CG-CG1 3.96Å; F388-V800 HydrophobicContact CZ-CG1 4.38Å; F388-A806 HydrophobicContact CD2-CB 3.79Å; F388-A806 HydrophobicContact CE2-CB 3.8Å; F388-V807 PolarHBondContact N-O 3.44Å; F388-T808 HydrophobicContact CB-CG2 4.33Å; F388-L809 PolarHBondContact O-N 3.25Å |
| 389 | I | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.6 | 171.1 | -65.1 | 173.5 | 0 | 0 | 0 | 108.6 | V386 L663 I668 K669 I670 W671 L809 V811 L852 L856 | V386-I389 HydrophobicContact CG1-CG1 3.99Å; I389-L663 HydrophobicContact CD1-CD1 3.91Å; I389-L663 HydrophobicContact CD1-CD2 4.36Å; I389-I668 HydrophobicContact CB-CG2 4.42Å; I389-I668 HydrophobicContact CD1-CG2 3.5Å; I389-I668 HydrophobicContact CG1-CG2 3.6Å; I389-K669 PolarHBondContact N-O 3.15Å; I389-I670 HydrophobicContact CB-CG1 4.39Å; I389-I670 HydrophobicContact CG2-CG2 4.45Å; I389-I670 CarbonylContact O-C 3.58Å; I389-I670 WeakPolarHBondContact O-CA 3.31Å; I389-W671 PolarHBondContact O-N 2.84Å; I389-L809 CarbonylContact C-O 3.49Å; I389-L809 WeakPolarHBondContact CA-O 3.19Å; I389-L809 HydrophobicContact CG1-CB 4.33Å; I389-L809 HydrophobicContact CG1-CD2 4.25Å; I389-L809 HydrophobicContact CG2-CD2 4.13Å; I389-V811 HydrophobicContact CG2-CG2 4.2Å; I389-L852 HydrophobicContact CD1-CD2 4.16Å; I389-L856 HydrophobicContact CD1-CD1 3.8Å |
| 390 | F | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 114.1 | 169.9 | -56.5 | -84.7 | 0 | 0 | 0 | 108.2 | F388 W671 L673 V796 V797 V800 T808 L809 A810 V811 M820 | F388-F390 HydrophobicContact CB-CE2 3.96Å; F388-F390 HydrophobicContact CB-CZ 4.16Å; F390-W671 CarbonylContact C-O 3.5Å; F390-W671 WeakPolarHBondContact CA-O 3.49Å; F390-W671 HydrophobicContact CD1-CB 3.9Å; F390-W671 HydrophobicContact CD1-CE3 4.22Å; F390-W671 HydrophobicContact CD1-CG 4.48Å; F390-W671 HydrophobicContact CE1-CB 4.2Å; F390-W671 AromaticContact CE1-CD2 3.95Å; F390-W671 HydrophobicContact CE1-CD2 3.95Å; F390-W671 AromaticContact CE1-CE3 3.49Å; F390-W671 HydrophobicContact CE1-CE3 3.49Å; F390-W671 VanDerWaalsContact CE1-CE3 3.49Å; F390-W671 HydrophobicContact CE1-CG 4.3Å; F390-W671 HydrophobicContact CE1-CZ3 4.11Å; F390-W671 HydrophobicContact CZ-CE3 4.42Å; F390-L673 HydrophobicContact CB-CD1 4.18Å; F390-L673 HydrophobicContact CD1-CD1 3.86Å; F390-L673 HydrophobicContact CD1-CG 4.35Å; F390-L673 HydrophobicContact CG-CD1 4.39Å; F390-V796 HydrophobicContact CD1-CG1 4.49Å; F390-V796 HydrophobicContact CE1-CG1 4.05Å; F390-V797 HydrophobicContact CB-CG2 4.13Å; F390-V797 HydrophobicContact CD1-CG2 4.06Å; F390-V797 HydrophobicContact CD2-CB 4.49Å; F390-V797 HydrophobicContact CD2-CG1 4.34Å; F390-V797 HydrophobicContact CD2-CG2 3.7Å; F390-V797 HydrophobicContact CE1-CG2 4.4Å; F390-V797 HydrophobicContact CE2-CB 4.47Å; F390-V797 HydrophobicContact CE2-CG1 4.27Å; F390-V797 HydrophobicContact CE2-CG2 4.1Å; F390-V797 HydrophobicContact CG-CG2 3.68Å; F390-V797 HydrophobicContact CZ-CG2 4.43Å; F390-V800 HydrophobicContact CE1-CG2 4.24Å; F390-V800 HydrophobicContact CZ-CB 3.87Å; F390-V800 HydrophobicContact CZ-CG1 4.13Å; F390-V800 HydrophobicContact CZ-CG2 3.81Å; F390-T808 HydrophobicContact CE2-CG2 3.76Å; F390-T808 HydrophobicContact CZ-CG2 4.44Å; F390-L809 WeakPolarHBondContact CD2-O 3.32Å; F390-L809 PolarHBondContact N-O 2.97Å; F390-A810 HydrophobicContact CB-CB 4.49Å; F390-A810 CarbonylContact O-C 3.4Å; F390-A810 VanDerWaalsContact O-CA 3.29Å; F390-A810 WeakPolarHBondContact O-CA 3.36Å; F390-V811 PolarHBondContact O-N 3.26Å; F390-M820 HydrophobicContact CB-SD 3.98Å |
| 391 | S | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.6 | -178.4 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | T396 W671 V672 L673 | S391-T396 VanDerWaalsContact OG-CG2 3.31Å; S391-T396 WeakPolarHBondContact OG-CG2 3.32Å; S391-W671 PolarHBondContact N-O 3.05Å; S391-V672 WeakPolarHBondContact O-CA 3.28Å; S391-L673 PolarHBondContact O-N 2.81Å |
| 392 | D | 91.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 15.4 Ų | 15.4 | 4% | 0.043 | 8% | 0.078 | C | C | . | . | trans | -73.5 | 163.2 | 157.7 | -166 | 58.1 | 0 | 0 | 0 | 111 | T394 T396 L397 K793 V811 D817 | D392-T394 PolarHBondContact OD2-N 2.92Å; D392-T396 WeakPolarHBondContact O-CB 3.05Å; D392-T396 WeakPolarHBondContact O-CG2 3.49Å; D392-L397 WeakPolarHBondContact O-CG 3.21Å; D392-K793 IonicContact OD1-NZ 3.16Å; D392-K793 PolarHBondContact OD1-NZ 3.32Å; D392-V811 PolarHBondContact N-O 3.37Å; D392-V811 VanDerWaalsContact N-O 3.07Å; D392-D817 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 393 | K | 88.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 16.3 Ų | 16.3 | 1% | 0.013 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -96.1 | -53.1 | 179.8 | -174.7 | -119.4 | 70.8 | 164.7 | 0 | 111.5 | L397 T398 D650 V672 T674 D676 I684 | K393-L397 PolarHBondContact O-N 3.35Å; K393-L397 VanDerWaalsContact O-N 3.11Å; K393-T398 PolarHBondContact O-N 3.38Å; K393-T398 VanDerWaalsContact O-N 3.09Å; K393-D650 IonicContact NZ-OD2 2.82Å; K393-V672 HydrophobicContact CB-CG1 4.09Å; K393-T674 HydrophobicContact CB-CG2 4.49Å; K393-D676 WeakPolarHBondContact CD-OD2 3.41Å; K393-D676 VanDerWaalsContact CE-OD2 3.24Å; K393-D676 WeakPolarHBondContact CE-OD2 3.37Å; K393-D676 IonicContact NZ-OD2 3.54Å; K393-D676 PolarHBondContact NZ-OD2 3.44Å; K393-I684 HydrophobicContact CD-CB 4.47Å; K393-I684 HydrophobicContact CD-CG1 4Å; K393-I684 HydrophobicContact CG-CB 4.24Å; K393-I684 HydrophobicContact CG-CG1 4.23Å; K393-I684 HydrophobicContact CG-CG2 3.91Å |
| 394 | T | 82.2 | Confident | 89.2 | Confident | 20 Ų | 20 | 16.4 Ų | 16.4 | 12% | 0.123 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 136.3 | -172.1 | -46.6 | 0 | 0 | 0 | 0 | 108 | D392 T396 N400 E834 | D392-T394 PolarHBondContact OD2-N 2.92Å; T394-T396 PolarHBondContact O-N 3.34Å; T394-N400 HydrophobicContact CG2-CB 4.23Å; T394-E834 WeakPolarHBondContact CG2-OE1 3.26Å |
| 395 | G | 80 | Confident | 89 | Confident | 6 Ų | 6 | 17.8 Ų | 17.8 | 6% | 0.062 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -18.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | T398 Q653 D813 | G395-T398 CarbonylContact C-O 3.59Å; G395-T398 VanDerWaalsContact C-O 3.3Å; G395-T398 VanDerWaalsContact CA-O 3.24Å; G395-T398 WeakPolarHBondContact CA-O 3.47Å; G395-T398 PolarHBondContact N-O 3.42Å; G395-Q653 PolarHBondContact O-NE2 3Å; G395-D813 WeakPolarHBondContact CA-OD2 3.15Å |
| 396 | T | 87.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -61.3 | 176.4 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | S391 D392 T394 Q653 V811 G812 D813 I830 F849 | S391-T396 VanDerWaalsContact OG-CG2 3.31Å; S391-T396 WeakPolarHBondContact OG-CG2 3.32Å; D392-T396 WeakPolarHBondContact O-CB 3.05Å; D392-T396 WeakPolarHBondContact O-CG2 3.49Å; T394-T396 PolarHBondContact O-N 3.34Å; T396-Q653 PolarHBondContact O-NE2 2.93Å; T396-Q653 PolarHBondContact O-OE1 2.89Å; T396-V811 HydrophobicContact CG2-CB 4.35Å; T396-V811 HydrophobicContact CG2-CG1 3.85Å; T396-G812 WeakPolarHBondContact OG1-CA 3.33Å; T396-D813 PolarHBondContact OG1-N 2.84Å; T396-I830 HydrophobicContact CG2-CD1 3.74Å; T396-F849 HydrophobicContact CG2-CD2 3.89Å; T396-F849 HydrophobicContact CG2-CE2 4.31Å |
| 397 | L | 90.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -36.7 | 176.3 | -63.7 | 176.8 | 0 | 0 | 0 | 111 | D392 K393 L652 Q653 V656 I660 V672 F849 | D392-L397 WeakPolarHBondContact O-CG 3.21Å; K393-L397 PolarHBondContact O-N 3.35Å; K393-L397 VanDerWaalsContact O-N 3.11Å; L397-L652 CarbonylContact O-C 3.57Å; L397-L652 WeakPolarHBondContact O-CA 3.49Å; L397-Q653 PolarHBondContact O-N 3.45Å; L397-V656 HydrophobicContact CD2-CG1 3.79Å; L397-I660 HydrophobicContact CD2-CD1 4.22Å; L397-V672 HydrophobicContact CD1-CG1 4.45Å; L397-V672 HydrophobicContact CD1-CG2 4.13Å; L397-F849 HydrophobicContact CD2-CD1 4.26Å; L397-F849 HydrophobicContact CD2-CD2 4.12Å; L397-F849 HydrophobicContact CD2-CE1 4.05Å; L397-F849 HydrophobicContact CD2-CE2 3.91Å; L397-F849 HydrophobicContact CD2-CG 4.29Å; L397-F849 HydrophobicContact CD2-CZ 3.88Å |
| 398 | T | 87.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 154.6 | 176.5 | 80.8 | 0 | 0 | 0 | 0 | 111.3 | K393 G395 N400 D650 K651 L652 I684 | K393-T398 PolarHBondContact O-N 3.38Å; K393-T398 VanDerWaalsContact O-N 3.09Å; G395-T398 CarbonylContact C-O 3.59Å; G395-T398 VanDerWaalsContact C-O 3.3Å; G395-T398 VanDerWaalsContact CA-O 3.24Å; G395-T398 WeakPolarHBondContact CA-O 3.47Å; G395-T398 PolarHBondContact N-O 3.42Å; T398-N400 PolarHBondContact O-N 2.85Å; T398-N400 PolarHBondContact OG1-N 3.27Å; T398-D650 WeakPolarHBondContact CB-OD1 3.33Å; T398-D650 PolarHBondContact OG1-OD1 3.24Å; T398-K651 CarbonylContact C-O 3.58Å; T398-K651 WeakPolarHBondContact CA-O 3.44Å; T398-L652 HydrophobicContact CG2-CD2 4.08Å; T398-I684 HydrophobicContact CG2-CD1 3.71Å; T398-I684 HydrophobicContact CG2-CG1 4.1Å; T398-I684 HydrophobicContact CG2-CG2 4.36Å |
| 399 | Q | 83.3 | Confident | 88.7 | Confident | 76 Ų | 76 | 14.9 Ų | 14.9 | 36% | 0.355 | 8% | 0.081 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | -3 | 172.6 | -62.3 | -179.9 | 24.9 | 0 | 0 | 112.1 | I401 K651 L652 Q653 | Q399-I401 HydrophobicContact CB-CB 4.47Å; Q399-I401 HydrophobicContact CB-CD1 4.17Å; Q399-I401 HydrophobicContact CB-CG1 4.22Å; Q399-I401 PolarHBondContact O-N 3.46Å; Q399-K651 PolarHBondContact N-O 3.41Å; Q399-L652 PolarHBondContact NE2-O 3.12Å; Q399-Q653 HydrophobicContact CG-CB 4.37Å; Q399-Q653 HydrophobicContact CG-CG 3.91Å |
| 400 | N | 78.3 | Confident | 88.4 | Confident | 39 Ų | 39 | 19.5 Ų | 19.5 | 21% | 0.209 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.6 | 33.9 | -169.5 | -162.1 | 24.2 | 0 | 0 | 0 | 113 | T394 T398 | T394-N400 HydrophobicContact CG2-CB 4.23Å; T398-N400 PolarHBondContact O-N 2.85Å; T398-N400 PolarHBondContact OG1-N 3.27Å |
| 401 | I | 82.9 | Confident | 87.8 | Confident | 72 Ų | 72 | 20.7 Ų | 20.7 | 37% | 0.369 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 114.9 | 176.8 | -60.4 | 171.2 | 0 | 0 | 0 | 108 | Q399 V403 K651 | Q399-I401 HydrophobicContact CB-CB 4.47Å; Q399-I401 HydrophobicContact CB-CD1 4.17Å; Q399-I401 HydrophobicContact CB-CG1 4.22Å; Q399-I401 PolarHBondContact O-N 3.46Å; I401-V403 HydrophobicContact CG2-CG2 3.93Å; I401-K651 PolarHBondContact O-N 3Å; I401-K651 VanDerWaalsContact O-N 3.13Å |
| 402 | M | 85.8 | Confident | 87.6 | Confident | 19 Ų | 19 | 25.8 Ų | 25.8 | 9% | 0.094 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.1 | 175.5 | -57.7 | -58.9 | 162.7 | 0 | 0 | 109.5 | P494 D495 A498 I648 E649 D650 | M402-P494 HydrophobicContact CB-CB 4.27Å; M402-P494 HydrophobicContact CE-CG 4.19Å; M402-P494 HydrophobicContact CG-CB 3.63Å; M402-P494 HydrophobicContact CG-CG 3.81Å; M402-D495 WeakPolarHBondContact CG-OD1 3.38Å; M402-A498 HydrophobicContact CB-CB 3.99Å; M402-A498 WeakPolarHBondContact O-CB 3.43Å; M402-I648 HydrophobicContact CB-CG2 3.86Å; M402-E649 WeakPolarHBondContact CA-O 3.28Å; M402-D650 HydrophobicContact CE-CB 4.05Å; M402-D650 VanDerWaalsContact CE-CG 3.49Å; M402-D650 HydrophobicContact SD-CB 3.6Å |
| 403 | V | 88.2 | Confident | 87.5 | Confident | 24 Ų | 24 | 27.5 Ų | 27.5 | 15% | 0.145 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.3 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | I401 S405 I648 E649 K651 | I401-V403 HydrophobicContact CG2-CG2 3.93Å; V403-S405 PolarHBondContact O-N 3.42Å; V403-I648 WeakPolarHBondContact O-CA 3.3Å; V403-E649 PolarHBondContact N-O 2.98Å; V403-E649 PolarHBondContact O-N 3.31Å; V403-K651 HydrophobicContact CG2-CD 3.75Å; V403-K651 VanDerWaalsContact CG2-CE 3.49Å; V403-K651 HydrophobicContact CG2-CG 4.18Å |
| 404 | F | 91.3 | Very high | 87.6 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 116.6 | 169.5 | 178.5 | -92.4 | 0 | 0 | 0 | 109.2 | C407 F446 F448 L499 A502 F506 T646 | F404-C407 HydrophobicContact CE2-CB 4.2Å; F404-C407 HydrophobicContact CZ-CB 3.68Å; F404-F446 HydrophobicContact CB-CE2 4.28Å; F404-F446 HydrophobicContact CD1-CZ 4.4Å; F404-F448 HydrophobicContact CD1-CE2 4.35Å; F404-F448 HydrophobicContact CE1-CE2 4.12Å; F404-L499 HydrophobicContact CD2-CD2 4.01Å; F404-L499 HydrophobicContact CE2-CD2 4.44Å; F404-A502 HydrophobicContact CB-CB 3.63Å; F404-A502 HydrophobicContact CD1-CB 3.86Å; F404-A502 HydrophobicContact CD2-CB 4.13Å; F404-A502 HydrophobicContact CG-CB 3.6Å; F404-F506 HydrophobicContact CE1-CE2 4.38Å; F404-T646 HydrophobicContact CE2-CG2 4.09Å |
| 405 | S | 88.3 | Confident | 87.6 | Confident | 31 Ų | 31 | 27.3 Ų | 27.3 | 22% | 0.217 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -51.6 | -171.8 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | V403 F448 A647 | V403-S405 PolarHBondContact O-N 3.42Å; S405-F448 WeakPolarHBondContact O-CE2 3.42Å; S405-A647 PolarHBondContact N-O 3.09Å |
| 406 | K | 91.3 | Very high | 87.6 | Confident | 9 Ų | 9 | 27.8 Ų | 27.8 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 162.5 | -176.5 | -55.2 | -176.6 | 176.2 | -172.5 | 0 | 112 | Y414 D416 F588 E591 L593 A647 | K406-Y414 WeakPolarHBondContact CA-O 3.32Å; K406-Y414 WeakPolarHBondContact CB-O 3.43Å; K406-D416 WeakPolarHBondContact CE-OD1 3.17Å; K406-D416 IonicContact NZ-OD1 3.23Å; K406-D416 PolarHBondContact NZ-OD1 3.47Å; K406-D416 IonicContact NZ-OD2 3.91Å; K406-D416 PolarHBondContact NZ-OD2 3.01Å; K406-D416 VanDerWaalsContact NZ-OD2 3.09Å; K406-F588 HydrophobicContact CB-CD1 4.35Å; K406-F588 HydrophobicContact CB-CE1 3.86Å; K406-F588 HydrophobicContact CB-CZ 3.97Å; K406-F588 HydrophobicContact CD-CD1 3.85Å; K406-F588 HydrophobicContact CD-CE1 3.63Å; K406-F588 HydrophobicContact CG-CE1 4.41Å; K406-E591 WeakPolarHBondContact CE-OE2 3.37Å; K406-E591 VanDerWaalsContact NZ-CD 3.26Å; K406-E591 IonicContact NZ-OE1 3.46Å; K406-E591 PolarHBondContact NZ-OE1 3.39Å; K406-E591 IonicContact NZ-OE2 3.87Å; K406-E591 PolarHBondContact NZ-OE2 2.89Å; K406-L593 HydrophobicContact CD-CD1 3.96Å; K406-L593 HydrophobicContact CG-CD1 4.22Å; K406-A647 HydrophobicContact CB-CB 4.01Å; K406-A647 PolarHBondContact N-O 3.01Å; K406-A647 WeakPolarHBondContact O-CB 3.44Å; K406-A647 PolarHBondContact O-N 3.01Å |
| 407 | C | 92.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 157 | 167.5 | 56.2 | 0 | 0 | 0 | 0 | 112 | F404 I409 Y414 F467 A645 | F404-C407 HydrophobicContact CE2-CB 4.2Å; F404-C407 HydrophobicContact CZ-CB 3.68Å; C407-I409 HydrophobicContact CB-CG1 4.42Å; C407-Y414 PolarHBondContact N-O 3.45Å; C407-Y414 VanDerWaalsContact N-O 3.12Å; C407-Y414 PolarHBondContact O-N 3.15Å; C407-F467 HydrophobicContact CB-CE1 4.26Å; C407-F467 HydrophobicContact CB-CE2 4.44Å; C407-F467 HydrophobicContact CB-CZ 3.66Å; C407-A645 CarbonylContact C-O 3.54Å; C407-A645 VanDerWaalsContact CA-O 3.3Å; C407-A645 WeakPolarHBondContact CA-O 3.31Å; C407-A645 VanDerWaalsContact CB-O 3.32Å; C407-A645 WeakPolarHBondContact CB-O 3.21Å |
| 408 | S | 93.8 | Very high | 86 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.8 | 168.1 | 173.4 | 0 | 0 | 0 | 0 | 107.8 | Q412 H584 G644 A645 | S408-Q412 CarbonylContact C-O 3.54Å; S408-Q412 VanDerWaalsContact CA-O 3.24Å; S408-Q412 WeakPolarHBondContact CA-O 3.48Å; S408-H584 PolarHBondContact OG-ND1 3.08Å; S408-G644 CarbonylContact O-C 3.58Å; S408-G644 WeakPolarHBondContact O-CA 3.18Å; S408-A645 PolarHBondContact N-O 3.09Å; S408-A645 PolarHBondContact O-N 2.9Å |
| 409 | I | 93 | Very high | 85.1 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 126.2 | 179.6 | -51.7 | 176 | 0 | 0 | 0 | 107.8 | C407 G411 Q412 Y414 L453 A463 V464 F467 | C407-I409 HydrophobicContact CB-CG1 4.42Å; I409-G411 PolarHBondContact O-N 3.18Å; I409-G411 VanDerWaalsContact O-N 3.13Å; I409-Q412 PolarHBondContact N-O 3.19Å; I409-Q412 PolarHBondContact O-N 3.32Å; I409-Y414 HydrophobicContact CB-CD2 4.38Å; I409-Y414 HydrophobicContact CB-CE2 4.04Å; I409-Y414 HydrophobicContact CD1-CD2 4.36Å; I409-Y414 HydrophobicContact CD1-CE2 4.45Å; I409-Y414 HydrophobicContact CG1-CD2 4.28Å; I409-Y414 HydrophobicContact CG1-CE2 4.38Å; I409-L453 HydrophobicContact CD1-CD1 3.99Å; I409-A463 HydrophobicContact CG2-CB 4.42Å; I409-V464 HydrophobicContact CD1-CG1 4.35Å; I409-V464 HydrophobicContact CD1-CG2 4.42Å; I409-V464 HydrophobicContact CG2-CG2 4.15Å; I409-F467 HydrophobicContact CD1-CB 4.25Å; I409-F467 HydrophobicContact CD1-CD1 3.61Å; I409-F467 HydrophobicContact CD1-CD2 4.14Å; I409-F467 HydrophobicContact CD1-CE1 3.88Å; I409-F467 HydrophobicContact CD1-CE2 4.36Å; I409-F467 HydrophobicContact CD1-CG 3.76Å; I409-F467 HydrophobicContact CD1-CZ 4.24Å; I409-F467 HydrophobicContact CG1-CD1 4.16Å; I409-F467 HydrophobicContact CG1-CD2 3.78Å; I409-F467 HydrophobicContact CG1-CE1 4.24Å; I409-F467 HydrophobicContact CG1-CE2 3.85Å; I409-F467 HydrophobicContact CG1-CG 3.94Å; I409-F467 HydrophobicContact CG1-CZ 4.08Å; I409-F467 HydrophobicContact CG2-CB 4.31Å; I409-F467 HydrophobicContact CG2-CD2 4.47Å |
| 410 | N | 89.2 | Confident | 84.3 | Confident | 96 Ų | 96 | 43.7 Ų | 43.7 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.3 | 178.7 | -162.9 | 41.3 | 0 | 0 | 0 | 114.7 | A463 L577 L643 | N410-A463 HydrophobicContact CB-CB 4.17Å; N410-L577 VanDerWaalsContact OD1-CD1 3.3Å; N410-L577 WeakPolarHBondContact OD1-CD1 3.38Å; N410-L643 PolarHBondContact N-O 3.28Å |
| 411 | G | 84.6 | Confident | 83.8 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 27% | 0.268 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 12.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | I409 H584 | I409-G411 PolarHBondContact O-N 3.18Å; I409-G411 VanDerWaalsContact O-N 3.13Å; G411-H584 PolarHBondContact O-CE1 2.94Å |
| 412 | Q | 88.6 | Confident | 83 | Confident | 107 Ų | 107 | 52.1 Ų | 52.1 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.8 | 173.1 | -64.3 | 180 | -1.6 | 0 | 0 | 111.1 | S408 I409 Y414 | S408-Q412 CarbonylContact C-O 3.54Å; S408-Q412 VanDerWaalsContact CA-O 3.24Å; S408-Q412 WeakPolarHBondContact CA-O 3.48Å; I409-Q412 PolarHBondContact N-O 3.19Å; I409-Q412 PolarHBondContact O-N 3.32Å; Q412-Y414 HydrophobicContact CB-CE2 3.9Å; Q412-Y414 PolarHBondContact OE1-OH 2.75Å |
| 413 | T | 90.3 | Very high | 82 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 27% | 0.27 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 138.9 | 176.6 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | H584 F588 | T413-H584 HydrophobicContact CG2-CB 3.94Å; T413-H584 VanDerWaalsContact CG2-CD2 3.46Å; T413-H584 WeakPolarHBondContact CG2-CD2 3.46Å; T413-H584 WeakPolarHBondContact CG2-ND1 3.45Å; T413-F588 HydrophobicContact CG2-CZ 4.21Å |
| 414 | Y | 88.9 | Confident | 80.8 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.1 | 177.1 | -63.8 | -85.1 | 0 | 0 | 0 | 110.2 | K406 C407 I409 Q412 D450 L453 | K406-Y414 WeakPolarHBondContact CA-O 3.32Å; K406-Y414 WeakPolarHBondContact CB-O 3.43Å; C407-Y414 PolarHBondContact N-O 3.45Å; C407-Y414 VanDerWaalsContact N-O 3.12Å; C407-Y414 PolarHBondContact O-N 3.15Å; I409-Y414 HydrophobicContact CB-CD2 4.38Å; I409-Y414 HydrophobicContact CB-CE2 4.04Å; I409-Y414 HydrophobicContact CD1-CD2 4.36Å; I409-Y414 HydrophobicContact CD1-CE2 4.45Å; I409-Y414 HydrophobicContact CG1-CD2 4.28Å; I409-Y414 HydrophobicContact CG1-CE2 4.38Å; Q412-Y414 HydrophobicContact CB-CE2 3.9Å; Q412-Y414 PolarHBondContact OE1-OH 2.75Å; Y414-D450 WeakPolarHBondContact CA-OD2 3.41Å; Y414-L453 HydrophobicContact CD1-CB 3.73Å; Y414-L453 HydrophobicContact CD1-CD1 3.91Å; Y414-L453 HydrophobicContact CD1-CG 4.34Å; Y414-L453 HydrophobicContact CD2-CD1 4.2Å; Y414-L453 HydrophobicContact CE1-CB 4.34Å; Y414-L453 HydrophobicContact CE1-CD1 4.17Å; Y414-L453 HydrophobicContact CE2-CD1 4.49Å; Y414-L453 HydrophobicContact CG-CB 4.23Å; Y414-L453 HydrophobicContact CG-CD1 3.9Å; Y414-L453 HydrophobicContact CG-CG 4.46Å |
| 415 | G | 82.6 | Confident | 79.7 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 111 | -4.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D450 | G415-D450 PolarHBondContact N-OD2 2.85Š|
| 416 | D | 80.3 | Confident | 78.4 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 8% | 0.08 | 34% | 0.337 | C | S | . | . | trans | -96.5 | 139.4 | 171.4 | -81.3 | -38.3 | 0 | 0 | 0 | 111.4 | K406 Y418 K424 | K406-D416 WeakPolarHBondContact CE-OD1 3.17Å; K406-D416 IonicContact NZ-OD1 3.23Å; K406-D416 PolarHBondContact NZ-OD1 3.47Å; K406-D416 IonicContact NZ-OD2 3.91Å; K406-D416 PolarHBondContact NZ-OD2 3.01Å; K406-D416 VanDerWaalsContact NZ-OD2 3.09Å; D416-Y418 HydrophobicContact CB-CE2 3.82Å; D416-K424 VanDerWaalsContact CG-CE 3.44Å; D416-K424 VanDerWaalsContact CG-NZ 3.33Å; D416-K424 WeakPolarHBondContact OD1-CE 3.08Å; D416-K424 IonicContact OD1-NZ 3.78Å; D416-K424 PolarHBondContact OD1-NZ 3.09Å; D416-K424 WeakPolarHBondContact OD2-CE 3.28Å; D416-K424 IonicContact OD2-NZ 2.65Å; D416-K424 PolarHBondContact OD2-NZ 3.43Å | ||
| 417 | V | 72.3 | Confident | 77.2 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 22% | 0.218 | 35% | 0.352 | C | S | . | . | trans | -102 | 124.6 | 176.7 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | V425 I427 | V417-V425 PolarHBondContact O-N 2.68Å; V417-I427 HydrophobicContact CG2-CG1 4.41Å | ||
| 418 | Y | 71.6 | Confident | 75.7 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 43% | 0.431 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -107 | 138.3 | 178 | -61.7 | -87.8 | 0 | 0 | 0 | 110.4 | D416 Q423 K424 | D416-Y418 HydrophobicContact CB-CE2 3.82Å; Y418-Q423 WeakPolarHBondContact CA-O 3.06Å; Y418-K424 HydrophobicContact CD1-CB 4.5Å; Y418-K424 HydrophobicContact CE1-CB 4.35Å |
| 419 | D | 70.3 | Confident | 74.1 | Confident | 83 Ų | 83 | 83.3 Ų | 83.3 | 44% | 0.444 | 42% | 0.416 | S | S | . | . | trans | -74.1 | 171.6 | 171.9 | -163.3 | 10.2 | 0 | 0 | 0 | 111.2 | F421 N422 Q423 V425 | D419-F421 PolarHBondContact O-N 3.23Å; D419-N422 WeakPolarHBondContact O-CA 3.24Å; D419-N422 PolarHBondContact O-N 3.25Å; D419-Q423 PolarHBondContact N-O 3.06Å; D419-V425 HydrophobicContact CB-CG2 3.73Å | ||
| 420 | E | 66.2 | Low | 72.5 | Confident | 184 Ų | 184 | 92.8 Ų | 92.8 | 86% | 0.86 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.2 | 177.3 | -65.1 | -174.5 | 174.9 | 0 | 0 | 113.1 | ||
| 421 | F | 67.2 | Low | 71.7 | Confident | 159 Ų | 159 | 89.7 Ų | 89.7 | 70% | 0.697 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 12.9 | 175.1 | -57.8 | -75.7 | 0 | 0 | 0 | 114.3 | D419 Q423 | D419-F421 PolarHBondContact O-N 3.23Å; F421-Q423 PolarHBondContact O-N 2.74Å |
| 422 | N | 66.3 | Low | 71.1 | Confident | 128 Ų | 128 | 92.5 Ų | 92.5 | 68% | 0.684 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 58.1 | 29.2 | -177.8 | -142.2 | 26.9 | 0 | 0 | 0 | 114 | D419 | D419-N422 WeakPolarHBondContact O-CA 3.24Å; D419-N422 PolarHBondContact O-N 3.25Å |
| 423 | Q | 64.2 | Low | 70.5 | Confident | 136 Ų | 136 | 90.4 Ų | 90.4 | 64% | 0.636 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -96.6 | 134.6 | 173.3 | -65.7 | -175.1 | 11.7 | 0 | 0 | 109.7 | Y418 D419 F421 V425 | Y418-Q423 WeakPolarHBondContact CA-O 3.06Å; D419-Q423 PolarHBondContact N-O 3.06Å; F421-Q423 PolarHBondContact O-N 2.74Å; Q423-V425 PolarHBondContact O-N 2.94Å |
| 424 | K | 64.3 | Low | 70 | Confident | 87 Ų | 87 | 89.2 Ų | 89.2 | 38% | 0.378 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -63.5 | 120.7 | 177.7 | -175.6 | 163.6 | 167.6 | 162 | 0 | 110.1 | D416 Y418 E587 E591 | D416-K424 VanDerWaalsContact CG-CE 3.44Å; D416-K424 VanDerWaalsContact CG-NZ 3.33Å; D416-K424 WeakPolarHBondContact OD1-CE 3.08Å; D416-K424 IonicContact OD1-NZ 3.78Å; D416-K424 PolarHBondContact OD1-NZ 3.09Å; D416-K424 WeakPolarHBondContact OD2-CE 3.28Å; D416-K424 IonicContact OD2-NZ 2.65Å; D416-K424 PolarHBondContact OD2-NZ 3.43Å; Y418-K424 HydrophobicContact CD1-CB 4.5Å; Y418-K424 HydrophobicContact CE1-CB 4.35Å; K424-E587 IonicContact NZ-OE1 3.46Å; K424-E587 PolarHBondContact NZ-OE1 2.84Å; K424-E587 VanDerWaalsContact NZ-OE1 3.11Å; K424-E591 IonicContact NZ-OE1 3.29Å; K424-E591 PolarHBondContact NZ-OE1 2.99Å |
| 425 | V | 67.9 | Low | 69.6 | Low | 61 Ų | 61 | 93.8 Ų | 93.8 | 37% | 0.37 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 133.8 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | V417 D419 Q423 I427 | V417-V425 PolarHBondContact O-N 2.68Å; D419-V425 HydrophobicContact CB-CG2 3.73Å; Q423-V425 PolarHBondContact O-N 2.94Å; V425-I427 PolarHBondContact O-N 2.85Å |
| 426 | E | 61.7 | Low | 69.5 | Low | 120 Ų | 120 | 94.3 Ų | 94.3 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 121 | 171.3 | -73.7 | -171.1 | 163.3 | 0 | 0 | 110 | T428 R1117 | E426-T428 PolarHBondContact O-N 3.24Å; E426-R1117 IonicContact OE1-CZ 2.7Å; E426-R1117 IonicContact OE1-NH1 3.22Å; E426-R1117 PolarHBondContact OE1-NH1 3.21Å; E426-R1117 IonicContact OE2-NH1 3.42Å; E426-R1117 PolarHBondContact OE2-NH1 2.85Å |
| 427 | I | 65.6 | Low | 69.4 | Low | 70 Ų | 70 | 97.5 Ų | 97.5 | 36% | 0.359 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -68 | 117.5 | 177.7 | -58.9 | 172.3 | 0 | 0 | 0 | 108.3 | V417 V425 Y449 | V417-I427 HydrophobicContact CG2-CG1 4.41Å; V425-I427 PolarHBondContact O-N 2.85Å; I427-Y449 HydrophobicContact CD1-CD2 3.9Å; I427-Y449 HydrophobicContact CD1-CG 4.28Å; I427-Y449 HydrophobicContact CG2-CD1 3.88Å; I427-Y449 HydrophobicContact CG2-CD2 3.63Å; I427-Y449 HydrophobicContact CG2-CE1 3.69Å; I427-Y449 HydrophobicContact CG2-CE2 3.44Å; I427-Y449 VanDerWaalsContact CG2-CE2 3.44Å; I427-Y449 HydrophobicContact CG2-CG 3.83Å; I427-Y449 VanDerWaalsContact CG2-CZ 3.46Å |
| 428 | T | 61.8 | Low | 69.7 | Low | 75 Ų | 75 | 99.2 Ų | 99.2 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | trans | -115.5 | 169.4 | 174.6 | 59.9 | 0 | 0 | 0 | 0 | 109.5 | E426 K430 T431 | E426-T428 PolarHBondContact O-N 3.24Å; T428-K430 PolarHBondContact O-N 3.17Å; T428-T431 PolarHBondContact N-OG1 3.34Å; T428-T431 WeakPolarHBondContact O-CB 3.36Å; T428-T431 PolarHBondContact O-N 3.11Å; T428-T431 PolarHBondContact O-OG1 3.3Å | ||
| 429 | E | 59.9 | Low | 70.1 | Confident | 192 Ų | 192 | 94.5 Ų | 94.5 | 90% | 0.897 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -17.6 | 175.8 | -64.1 | -170 | 153.2 | 0 | 0 | 113.8 | ||
| 430 | K | 59.5 | Low | 70.4 | Confident | 200 Ų | 200 | 96.5 Ų | 96.5 | 87% | 0.87 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -10.2 | 177.4 | -61.8 | -176 | -178.3 | 178.7 | 0 | 113.3 | T428 | T428-K430 PolarHBondContact O-N 3.17Š|
| 431 | T | 71.8 | Confident | 71 | Confident | 32 Ų | 32 | 89.1 Ų | 89.1 | 20% | 0.196 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -71.6 | 130.2 | 178.7 | -50.7 | 0 | 0 | 0 | 0 | 109.6 | T428 C433 Y449 | T428-T431 PolarHBondContact N-OG1 3.34Å; T428-T431 WeakPolarHBondContact O-CB 3.36Å; T428-T431 PolarHBondContact O-N 3.11Å; T428-T431 PolarHBondContact O-OG1 3.3Å; T431-C433 PolarHBondContact O-N 3.01Å; T431-Y449 HydrophobicContact CG2-CD1 3.97Å |
| 432 | A | 70.9 | Confident | 71.5 | Confident | 84 Ų | 84 | 83.2 Ų | 83.2 | 69% | 0.694 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 131.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 433 | C | 76.9 | Confident | 72.2 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 43% | 0.432 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 153.4 | 175.5 | -64 | 0 | 0 | 0 | 0 | 110.8 | T431 Y449 | T431-C433 PolarHBondContact O-N 3.01Å; C433-Y449 VanDerWaalsContact SG-CE1 3.55Å |
| 434 | V | 80.6 | Confident | 72.8 | Confident | 18 Ų | 18 | 82.8 Ų | 82.8 | 11% | 0.109 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -66 | 137.3 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | F436 F448 V454 | V434-F436 HydrophobicContact CB-CE2 4.15Å; V434-F436 HydrophobicContact CB-CZ 4.33Å; V434-F436 HydrophobicContact CG1-CE2 4.43Å; V434-F436 HydrophobicContact CG1-CZ 4.31Å; V434-F436 WeakPolarHBondContact O-CD2 3.25Å; V434-F436 PolarHBondContact O-N 2.94Å; V434-F448 HydrophobicContact CG2-CD1 4.35Å; V434-F448 WeakPolarHBondContact CG2-O 3.43Å; V434-F448 PolarHBondContact N-O 3.19Å; V434-V454 HydrophobicContact CG1-CB 4.29Å; V434-V454 HydrophobicContact CG1-CG2 3.64Å |
| 435 | D | 79.3 | Confident | 73.4 | Confident | 111 Ų | 111 | 82.4 Ų | 82.4 | 59% | 0.594 | 46% | 0.456 | S | S | * | . | trans | -81.9 | 113 | 176.5 | -176.4 | 18.4 | 0 | 0 | 0 | 111.8 | S437 | D435-S437 WeakPolarHBondContact OD1-CB 3.42Å; D435-S437 PolarHBondContact OD1-N 2.99Å; D435-S437 PolarHBondContact OD1-OG 2.62Å; D435-S437 VanDerWaalsContact OD1-OG 3.11Å; D435-S437 WeakPolarHBondContact OD2-CB 3.42Å; D435-S437 PolarHBondContact OD2-OG 3.07Å | ||
| 436 | F | 81.4 | Confident | 74.2 | Confident | 15 Ų | 15 | 80.6 Ų | 80.6 | 7% | 0.066 | 44% | 0.443 | C | S | . | . | trans | -94.4 | 14 | 176.2 | -68 | -76.8 | 0 | 0 | 0 | 113.6 | V434 F438 N439 C442 F446 F448 V454 N505 F506 | V434-F436 HydrophobicContact CB-CE2 4.15Å; V434-F436 HydrophobicContact CB-CZ 4.33Å; V434-F436 HydrophobicContact CG1-CE2 4.43Å; V434-F436 HydrophobicContact CG1-CZ 4.31Å; V434-F436 WeakPolarHBondContact O-CD2 3.25Å; V434-F436 PolarHBondContact O-N 2.94Å; F436-F438 AromaticContact CD1-CE1 3.9Å; F436-F438 HydrophobicContact CD1-CE1 3.9Å; F436-F438 HydrophobicContact CD1-CZ 4.3Å; F436-F438 PolarHBondContact O-N 2.88Å; F436-N439 PolarHBondContact O-N 3.03Å; F436-C442 HydrophobicContact CB-CB 4.11Å; F436-F446 HydrophobicContact CD2-CD1 4.47Å; F436-F446 AromaticContact CE2-CD1 3.83Å; F436-F446 HydrophobicContact CE2-CD1 3.83Å; F436-F446 AromaticContact CE2-CE1 3.99Å; F436-F446 HydrophobicContact CE2-CE1 3.99Å; F436-F446 HydrophobicContact CZ-CD1 4.02Å; F436-F446 AromaticContact CZ-CE1 3.74Å; F436-F446 HydrophobicContact CZ-CE1 3.74Å; F436-F448 HydrophobicContact CE2-CB 4.06Å; F436-F448 HydrophobicContact CZ-CB 3.88Å; F436-V454 HydrophobicContact CE1-CG2 4.02Å; F436-V454 HydrophobicContact CZ-CG2 4.47Å; F436-N505 HydrophobicContact CD1-CB 4.2Å; F436-N505 WeakPolarHBondContact CD1-O 3.43Å; F436-N505 HydrophobicContact CE1-CB 4.2Å; F436-F506 HydrophobicContact CE1-CD1 4.17Å; F436-F506 HydrophobicContact CE1-CE1 4.04Å; F436-F506 HydrophobicContact CE1-CZ 4.39Å; F436-F506 HydrophobicContact CZ-CE1 4.28Å; F436-F506 HydrophobicContact CZ-CZ 4.29Å | ||
| 437 | S | 77.9 | Confident | 75.1 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 58% | 0.58 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -22.6 | -179.8 | 60.8 | 0 | 0 | 0 | 0 | 115.1 | D435 N439 | D435-S437 WeakPolarHBondContact OD1-CB 3.42Å; D435-S437 PolarHBondContact OD1-N 2.99Å; D435-S437 PolarHBondContact OD1-OG 2.62Å; D435-S437 VanDerWaalsContact OD1-OG 3.11Å; D435-S437 WeakPolarHBondContact OD2-CB 3.42Å; D435-S437 PolarHBondContact OD2-OG 3.07Å; S437-N439 PolarHBondContact O-N 3.15Å |
| 438 | F | 79.3 | Confident | 76 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 32% | 0.316 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.1 | 175.9 | 73.8 | -90.2 | 0 | 0 | 0 | 113.7 | F436 V454 M523 | F436-F438 AromaticContact CD1-CE1 3.9Å; F436-F438 HydrophobicContact CD1-CE1 3.9Å; F436-F438 HydrophobicContact CD1-CZ 4.3Å; F436-F438 PolarHBondContact O-N 2.88Å; F438-V454 HydrophobicContact CE1-CG1 4.06Å; F438-M523 HydrophobicContact CE2-CE 4.44Å |
| 439 | N | 80.1 | Confident | 77.1 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 5% | 0.053 | 41% | 0.413 | C | S | . | . | trans | -112.3 | 108.5 | 177.7 | 179.7 | 4 | 0 | 0 | 0 | 110.8 | F436 S437 L441 C442 R504 | F436-N439 PolarHBondContact O-N 3.03Å; S437-N439 PolarHBondContact O-N 3.15Å; N439-L441 PolarHBondContact O-N 3.2Å; N439-L441 PolarHBondContact OD1-N 3.22Å; N439-C442 HydrophobicContact CB-CB 4.25Å; N439-C442 WeakPolarHBondContact O-CB 3.44Å; N439-C442 PolarHBondContact O-N 3.28Å; N439-C442 VanDerWaalsContact O-N 3.12Å; N439-C442 PolarHBondContact O-SG 3.26Å; N439-C442 VanDerWaalsContact O-SG 3.32Å; N439-R504 PolarHBondContact ND2-O 2.96Å | ||
| 440 | P | 76.8 | Confident | 78.2 | Confident | 126 Ų | 126 | 68.1 Ų | 68.1 | 82% | 0.818 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25 | -179.9 | -21.6 | 32.4 | 0 | 0 | 0 | 114.2 | ||
| 441 | L | 77.1 | Confident | 79.3 | Confident | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.152 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 17.8 | -179.8 | -67.6 | 172.4 | 0 | 0 | 0 | 111.4 | N439 R504 I509 | N439-L441 PolarHBondContact O-N 3.2Å; N439-L441 PolarHBondContact OD1-N 3.22Å; L441-R504 PolarHBondContact O-NE 3.12Å; L441-R504 PolarHBondContact O-NH2 3.18Å; L441-I509 HydrophobicContact CB-CD1 3.98Å; L441-I509 HydrophobicContact CD1-CD1 4.01Å; L441-I509 HydrophobicContact CD1-CG2 4.4Å |
| 442 | C | 79.4 | Confident | 79.9 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 23% | 0.23 | 36% | 0.364 | C | S | . | . | trans | -62.8 | 150.1 | 177 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | F436 N439 N505 | F436-C442 HydrophobicContact CB-CB 4.11Å; N439-C442 HydrophobicContact CB-CB 4.25Å; N439-C442 WeakPolarHBondContact O-CB 3.44Å; N439-C442 PolarHBondContact O-N 3.28Å; N439-C442 VanDerWaalsContact O-N 3.12Å; N439-C442 PolarHBondContact O-SG 3.26Å; N439-C442 VanDerWaalsContact O-SG 3.32Å; C442-N505 WeakPolarHBondContact CA-OD1 3.28Å | ||
| 443 | D | 79.3 | Confident | 80.6 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | trans | -80.5 | 116.6 | 168.5 | -173 | -10.6 | 0 | 0 | 0 | 109.2 | A445 F446 T501 N505 | D443-A445 PolarHBondContact O-N 2.85Å; D443-A445 WeakPolarHBondContact OD1-CB 3.44Å; D443-A445 PolarHBondContact OD1-N 3.43Å; D443-F446 HydrophobicContact CB-CB 4.34Å; D443-F446 WeakPolarHBondContact O-CB 3.34Å; D443-F446 PolarHBondContact O-N 3.38Å; D443-T501 HydrophobicContact CB-CG2 4.13Å; D443-N505 PolarHBondContact N-OD1 2.84Å | ||
| 444 | K | 77.9 | Confident | 81 | Confident | 200 Ų | 200 | 56.1 Ų | 56.1 | 87% | 0.87 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.5 | -179.8 | -62.2 | -179.5 | -178.5 | 177.5 | 0 | 113.1 | ||
| 445 | A | 76.9 | Confident | 81.2 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 65% | 0.653 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -17.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | D443 | D443-A445 PolarHBondContact O-N 2.85Å; D443-A445 WeakPolarHBondContact OD1-CB 3.44Å; D443-A445 PolarHBondContact OD1-N 3.43Å |
| 446 | F | 83.4 | Confident | 81.5 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 10% | 0.101 | 31% | 0.306 | C | S | . | . | trans | -74.5 | 131.3 | -179.1 | -176.4 | -102.3 | 0 | 0 | 0 | 111.2 | F404 F436 D443 F448 A502 N505 F506 | F404-F446 HydrophobicContact CB-CE2 4.28Å; F404-F446 HydrophobicContact CD1-CZ 4.4Å; F436-F446 HydrophobicContact CD2-CD1 4.47Å; F436-F446 AromaticContact CE2-CD1 3.83Å; F436-F446 HydrophobicContact CE2-CD1 3.83Å; F436-F446 AromaticContact CE2-CE1 3.99Å; F436-F446 HydrophobicContact CE2-CE1 3.99Å; F436-F446 HydrophobicContact CZ-CD1 4.02Å; F436-F446 AromaticContact CZ-CE1 3.74Å; F436-F446 HydrophobicContact CZ-CE1 3.74Å; D443-F446 HydrophobicContact CB-CB 4.34Å; D443-F446 WeakPolarHBondContact O-CB 3.34Å; D443-F446 PolarHBondContact O-N 3.38Å; F446-F448 HydrophobicContact CE1-CB 3.81Å; F446-F448 HydrophobicContact CZ-CB 4.29Å; F446-F448 HydrophobicContact CZ-CD2 4.48Å; F446-A502 HydrophobicContact CE2-CB 4.11Å; F446-A502 HydrophobicContact CZ-CB 4.18Å; F446-N505 WeakPolarHBondContact CB-ND2 3.43Å; F446-N505 HydrophobicContact CD1-CB 3.71Å; F446-N505 WeakPolarHBondContact CD1-ND2 3.47Å; F446-N505 HydrophobicContact CE1-CB 3.95Å; F446-N505 HydrophobicContact CG-CB 4.33Å; F446-N505 WeakPolarHBondContact CG-ND2 3.34Å; F446-F506 HydrophobicContact CE1-CE2 4.18Å; F446-F506 HydrophobicContact CZ-CE2 4.11Å | ||
| 447 | K | 82.3 | Confident | 81.7 | Confident | 115 Ų | 115 | 55.3 Ų | 55.3 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | trans | -124.5 | 129.3 | 178.6 | -63.2 | -176.9 | -178.5 | -177.3 | 0 | 109 | ||||
| 448 | F | 84.6 | Confident | 81.9 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | trans | -138.5 | 147.4 | 172.6 | -163.1 | -106.3 | 0 | 0 | 0 | 107.8 | F404 S405 V434 F436 F446 D450 L453 F506 | F404-F448 HydrophobicContact CD1-CE2 4.35Å; F404-F448 HydrophobicContact CE1-CE2 4.12Å; S405-F448 WeakPolarHBondContact O-CE2 3.42Å; V434-F448 HydrophobicContact CG2-CD1 4.35Å; V434-F448 WeakPolarHBondContact CG2-O 3.43Å; V434-F448 PolarHBondContact N-O 3.19Å; F436-F448 HydrophobicContact CE2-CB 4.06Å; F436-F448 HydrophobicContact CZ-CB 3.88Å; F446-F448 HydrophobicContact CE1-CB 3.81Å; F446-F448 HydrophobicContact CZ-CB 4.29Å; F446-F448 HydrophobicContact CZ-CD2 4.48Å; F448-D450 HydrophobicContact CD1-CB 4.36Å; F448-D450 WeakPolarHBondContact CD1-O 3.46Å; F448-D450 HydrophobicContact CE1-CB 3.65Å; F448-D450 VanDerWaalsContact CE1-O 3.23Å; F448-D450 WeakPolarHBondContact CE1-O 3.19Å; F448-D450 HydrophobicContact CZ-CB 4.12Å; F448-L453 HydrophobicContact CE1-CB 4.04Å; F448-L453 HydrophobicContact CE1-CD2 3.85Å; F448-L453 HydrophobicContact CZ-CD2 3.68Å; F448-F506 HydrophobicContact CD1-CE1 4.33Å; F448-F506 AromaticContact CD1-CZ 3.8Å; F448-F506 HydrophobicContact CD1-CZ 3.8Å; F448-F506 HydrophobicContact CD2-CZ 4.34Å; F448-F506 HydrophobicContact CE1-CE1 4.44Å; F448-F506 AromaticContact CE1-CZ 3.95Å; F448-F506 HydrophobicContact CE1-CZ 3.95Å; F448-F506 HydrophobicContact CE2-CZ 4.48Å; F448-F506 HydrophobicContact CG-CZ 4Å; F448-F506 HydrophobicContact CZ-CZ 4.3Å | ||
| 449 | Y | 82.9 | Confident | 82.2 | Confident | 55 Ų | 55 | 60 Ų | 60 | 22% | 0.216 | 32% | 0.318 | C | S | . | . | trans | -115 | -22.3 | -169.1 | -58.6 | -84.9 | 0 | 0 | 0 | 113.4 | I427 T431 C433 | I427-Y449 HydrophobicContact CD1-CD2 3.9Å; I427-Y449 HydrophobicContact CD1-CG 4.28Å; I427-Y449 HydrophobicContact CG2-CD1 3.88Å; I427-Y449 HydrophobicContact CG2-CD2 3.63Å; I427-Y449 HydrophobicContact CG2-CE1 3.69Å; I427-Y449 HydrophobicContact CG2-CE2 3.44Å; I427-Y449 VanDerWaalsContact CG2-CE2 3.44Å; I427-Y449 HydrophobicContact CG2-CG 3.83Å; I427-Y449 VanDerWaalsContact CG2-CZ 3.46Å; T431-Y449 HydrophobicContact CG2-CD1 3.97Å; C433-Y449 VanDerWaalsContact SG-CE1 3.55Å | ||
| 450 | D | 83.9 | Confident | 82.3 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | trans | -88.1 | 114 | -177.7 | 177.6 | 8.7 | 0 | 0 | 0 | 111.4 | Y414 G415 F448 S452 | Y414-D450 WeakPolarHBondContact CA-OD2 3.41Å; G415-D450 PolarHBondContact N-OD2 2.85Å; F448-D450 HydrophobicContact CD1-CB 4.36Å; F448-D450 WeakPolarHBondContact CD1-O 3.46Å; F448-D450 HydrophobicContact CE1-CB 3.65Å; F448-D450 VanDerWaalsContact CE1-O 3.23Å; F448-D450 WeakPolarHBondContact CE1-O 3.19Å; F448-D450 HydrophobicContact CZ-CB 4.12Å; D450-S452 VanDerWaalsContact C-N 3.34Å; D450-S452 VanDerWaalsContact OD1-CB 3.28Å; D450-S452 WeakPolarHBondContact OD1-CB 2.92Å; D450-S452 PolarHBondContact OD1-N 3.25Å; D450-S452 PolarHBondContact OD1-OG 3.18Å; D450-S452 PolarHBondContact OD2-OG 2.8Å; D450-S452 VanDerWaalsContact OD2-OG 3.07Å | ||
| 451 | C | 82.9 | Confident | 82.7 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 49% | 0.486 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.2 | -26 | 179 | -66.2 | 0 | 0 | 0 | 0 | 113 | L453 V454 E455 | C451-L453 VanDerWaalsContact C-N 3.31Å; C451-L453 PolarHBondContact O-N 2.86Å; C451-V454 PolarHBondContact O-N 2.92Å; C451-E455 PolarHBondContact O-N 2.97Å; C451-E455 VanDerWaalsContact O-N 3.13Å |
| 452 | S | 84.8 | Confident | 83.2 | Confident | 50 Ų | 50 | 66.7 Ų | 66.7 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -37.3 | -172.6 | 69 | 0 | 0 | 0 | 0 | 112.3 | D450 V454 E455 A456 | D450-S452 VanDerWaalsContact C-N 3.34Å; D450-S452 VanDerWaalsContact OD1-CB 3.28Å; D450-S452 WeakPolarHBondContact OD1-CB 2.92Å; D450-S452 PolarHBondContact OD1-N 3.25Å; D450-S452 PolarHBondContact OD1-OG 3.18Å; D450-S452 PolarHBondContact OD2-OG 2.8Å; D450-S452 VanDerWaalsContact OD2-OG 3.07Å; S452-V454 PolarHBondContact O-N 2.76Å; S452-E455 PolarHBondContact O-N 3.34Å; S452-A456 PolarHBondContact O-N 2.77Å |
| 453 | L | 85.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 178 | -174.7 | 57.8 | 0 | 0 | 0 | 112.3 | I409 Y414 F448 C451 E455 A456 V457 V464 F468 F506 | I409-L453 HydrophobicContact CD1-CD1 3.99Å; Y414-L453 HydrophobicContact CD1-CB 3.73Å; Y414-L453 HydrophobicContact CD1-CD1 3.91Å; Y414-L453 HydrophobicContact CD1-CG 4.34Å; Y414-L453 HydrophobicContact CD2-CD1 4.2Å; Y414-L453 HydrophobicContact CE1-CB 4.34Å; Y414-L453 HydrophobicContact CE1-CD1 4.17Å; Y414-L453 HydrophobicContact CE2-CD1 4.49Å; Y414-L453 HydrophobicContact CG-CB 4.23Å; Y414-L453 HydrophobicContact CG-CD1 3.9Å; Y414-L453 HydrophobicContact CG-CG 4.46Å; F448-L453 HydrophobicContact CE1-CB 4.04Å; F448-L453 HydrophobicContact CE1-CD2 3.85Å; F448-L453 HydrophobicContact CZ-CD2 3.68Å; C451-L453 VanDerWaalsContact C-N 3.31Å; C451-L453 PolarHBondContact O-N 2.86Å; L453-E455 VanDerWaalsContact C-N 3.31Å; L453-A456 PolarHBondContact O-N 2.87Å; L453-V457 VanDerWaalsContact O-CG2 3.29Å; L453-V457 WeakPolarHBondContact O-CG2 3.39Å; L453-V457 PolarHBondContact O-N 2.82Å; L453-V464 HydrophobicContact CD1-CG1 4.27Å; L453-F468 HydrophobicContact CD1-CE2 4.27Å; L453-F468 HydrophobicContact CD1-CZ 4.45Å; L453-F468 HydrophobicContact CD2-CZ 4.16Å; L453-F468 HydrophobicContact CG-CZ 4.42Å; L453-F506 HydrophobicContact CB-CE1 4.4Å; L453-F506 HydrophobicContact CD2-CE1 3.82Å; L453-F506 HydrophobicContact CD2-CE2 4.27Å; L453-F506 HydrophobicContact CD2-CZ 3.64Å; L453-F506 HydrophobicContact CG-CD1 4.47Å; L453-F506 HydrophobicContact CG-CE1 3.9Å; L453-F506 HydrophobicContact CG-CZ 4.26Å |
| 454 | V | 84.7 | Confident | 84 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | V434 F436 F438 C451 S452 V457 K458 F506 | V434-V454 HydrophobicContact CG1-CB 4.29Å; V434-V454 HydrophobicContact CG1-CG2 3.64Å; F436-V454 HydrophobicContact CE1-CG2 4.02Å; F436-V454 HydrophobicContact CZ-CG2 4.47Å; F438-V454 HydrophobicContact CE1-CG1 4.06Å; C451-V454 PolarHBondContact O-N 2.92Å; S452-V454 PolarHBondContact O-N 2.76Å; V454-V457 PolarHBondContact O-N 3.34Å; V454-K458 HydrophobicContact CG1-CD 4.22Å; V454-K458 VanDerWaalsContact O-CG 3.32Å; V454-K458 WeakPolarHBondContact O-CG 3.46Å; V454-K458 PolarHBondContact O-N 3.29Å; V454-F506 HydrophobicContact CG2-CD1 3.93Å; V454-F506 HydrophobicContact CG2-CE1 3.58Å |
| 455 | E | 84.3 | Confident | 84.6 | Confident | 112 Ų | 112 | 55.6 Ų | 55.6 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 173.9 | -69.1 | 178.6 | -172.8 | 0 | 0 | 111.7 | C451 S452 L453 V457 K458 Q459 | C451-E455 PolarHBondContact O-N 2.97Å; C451-E455 VanDerWaalsContact O-N 3.13Å; S452-E455 PolarHBondContact O-N 3.34Å; L453-E455 VanDerWaalsContact C-N 3.31Å; E455-V457 VanDerWaalsContact C-N 3.32Å; E455-V457 PolarHBondContact O-N 3.19Å; E455-K458 WeakPolarHBondContact O-CB 3.36Å; E455-K458 PolarHBondContact O-N 3.09Å; E455-K458 VanDerWaalsContact O-N 3.11Å; E455-Q459 WeakPolarHBondContact O-CG 3.25Å; E455-Q459 PolarHBondContact O-N 3.28Å |
| 456 | A | 85.5 | Confident | 85.2 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 5% | 0.05 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S452 L453 Q459 Q460 V464 | S452-A456 PolarHBondContact O-N 2.77Å; L453-A456 PolarHBondContact O-N 2.87Å; A456-Q459 PolarHBondContact O-N 3.11Å; A456-Q460 PolarHBondContact O-N 2.82Å; A456-V464 HydrophobicContact CB-CG2 4.31Å |
| 457 | V | 85.6 | Confident | 85.8 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 173.4 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | L453 V454 E455 Q459 Q460 V464 F468 F506 M523 | L453-V457 VanDerWaalsContact O-CG2 3.29Å; L453-V457 WeakPolarHBondContact O-CG2 3.39Å; L453-V457 PolarHBondContact O-N 2.82Å; V454-V457 PolarHBondContact O-N 3.34Å; E455-V457 VanDerWaalsContact C-N 3.32Å; E455-V457 PolarHBondContact O-N 3.19Å; V457-Q459 VanDerWaalsContact C-N 3.31Å; V457-Q459 PolarHBondContact O-N 3.49Å; V457-Q460 PolarHBondContact O-N 3.19Å; V457-Q460 VanDerWaalsContact O-N 3.14Å; V457-V464 HydrophobicContact CG2-CG1 3.64Å; V457-F468 HydrophobicContact CG2-CD2 4.01Å; V457-F468 HydrophobicContact CG2-CE2 3.6Å; V457-F506 WeakPolarHBondContact CG1-O 3.34Å; V457-F506 HydrophobicContact CG2-CD1 4.37Å; V457-M523 HydrophobicContact CG1-CE 4.46Å; V457-M523 HydrophobicContact CG1-SD 4.13Å |
| 458 | K | 83.4 | Confident | 86.3 | Confident | 117 Ų | 117 | 46.3 Ų | 46.3 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.6 | -33.1 | 177.5 | -74.6 | 173.5 | -178.7 | 173.9 | 0 | 112.4 | V454 E455 Q460 | V454-K458 HydrophobicContact CG1-CD 4.22Å; V454-K458 VanDerWaalsContact O-CG 3.32Å; V454-K458 WeakPolarHBondContact O-CG 3.46Å; V454-K458 PolarHBondContact O-N 3.29Å; E455-K458 WeakPolarHBondContact O-CB 3.36Å; E455-K458 PolarHBondContact O-N 3.09Å; E455-K458 VanDerWaalsContact O-N 3.11Å; K458-Q460 PolarHBondContact O-N 3.29Å |
| 459 | Q | 84.9 | Confident | 86.6 | Confident | 138 Ų | 138 | 48 Ų | 48 | 65% | 0.645 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -5.2 | 175.4 | -70.1 | -178.6 | 27.3 | 0 | 0 | 113.6 | E455 A456 V457 E461 | E455-Q459 WeakPolarHBondContact O-CG 3.25Å; E455-Q459 PolarHBondContact O-N 3.28Å; A456-Q459 PolarHBondContact O-N 3.11Å; V457-Q459 VanDerWaalsContact C-N 3.31Å; V457-Q459 PolarHBondContact O-N 3.49Å; Q459-E461 PolarHBondContact O-N 2.71Å |
| 460 | Q | 81.9 | Confident | 87.2 | Confident | 131 Ų | 131 | 45.3 Ų | 45.3 | 61% | 0.612 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 38.2 | 177.9 | -61.9 | -169 | -3 | 0 | 0 | 114.5 | A456 V457 K458 S462 Q465 | A456-Q460 PolarHBondContact O-N 2.82Å; V457-Q460 PolarHBondContact O-N 3.19Å; V457-Q460 VanDerWaalsContact O-N 3.14Å; K458-Q460 PolarHBondContact O-N 3.29Å; Q460-S462 PolarHBondContact O-N 2.92Å; Q460-Q465 VanDerWaalsContact CB-NE2 3.27Å |
| 461 | E | 86.6 | Confident | 87.6 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | trans | -59.9 | 130.9 | 172.7 | -67.7 | -170.2 | 177.2 | 0 | 0 | 111.9 | Q459 A463 V464 Q465 | Q459-E461 PolarHBondContact O-N 2.71Å; E461-A463 PolarHBondContact O-N 3.17Å; E461-V464 HydrophobicContact CB-CB 4.24Å; E461-V464 HydrophobicContact CB-CG2 4.04Å; E461-V464 PolarHBondContact O-N 3.43Å; E461-Q465 WeakPolarHBondContact O-CG 3.27Å; E461-Q465 PolarHBondContact O-N 3.36Å | ||
| 462 | S | 86 | Confident | 88.1 | Confident | 95 Ų | 95 | 41.1 Ų | 41.1 | 66% | 0.664 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -62.4 | -42.6 | -172.5 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | Q460 Q465 D466 | Q460-S462 PolarHBondContact O-N 2.92Å; S462-Q465 PolarHBondContact O-N 2.8Å; S462-D466 PolarHBondContact O-N 3.12Å |
| 463 | A | 87.1 | Confident | 88.5 | Confident | 25 Ų | 25 | 38.7 Ų | 38.7 | 21% | 0.207 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I409 N410 E461 F467 | I409-A463 HydrophobicContact CG2-CB 4.42Å; N410-A463 HydrophobicContact CB-CB 4.17Å; E461-A463 PolarHBondContact O-N 3.17Å; A463-F467 WeakPolarHBondContact O-CB 3.3Å; A463-F467 PolarHBondContact O-N 3.28Å |
| 464 | V | 90 | Very high | 88.8 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.5 | -39.3 | 178.6 | -178.5 | 0 | 0 | 0 | 0 | 111 | I409 L453 A456 V457 E461 F467 F468 | I409-V464 HydrophobicContact CD1-CG1 4.35Å; I409-V464 HydrophobicContact CD1-CG2 4.42Å; I409-V464 HydrophobicContact CG2-CG2 4.15Å; L453-V464 HydrophobicContact CD1-CG1 4.27Å; A456-V464 HydrophobicContact CB-CG2 4.31Å; V457-V464 HydrophobicContact CG2-CG1 3.64Å; E461-V464 HydrophobicContact CB-CB 4.24Å; E461-V464 HydrophobicContact CB-CG2 4.04Å; E461-V464 PolarHBondContact O-N 3.43Å; V464-F467 WeakPolarHBondContact O-CB 3.48Å; V464-F467 PolarHBondContact O-N 3.06Å; V464-F468 HydrophobicContact CG1-CD2 3.95Å; V464-F468 HydrophobicContact CG1-CE2 3.8Å; V464-F468 WeakPolarHBondContact O-CD2 3.41Å; V464-F468 PolarHBondContact O-N 2.84Å; V464-F468 VanDerWaalsContact O-N 3.14Å |
| 465 | Q | 89.8 | Confident | 89 | Confident | 32 Ų | 32 | 38.4 Ų | 38.4 | 15% | 0.15 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | 174.2 | -71.5 | -166.2 | 2.5 | 0 | 0 | 112.2 | Q460 E461 S462 F467 F468 R469 F508 | Q460-Q465 VanDerWaalsContact CB-NE2 3.27Å; E461-Q465 WeakPolarHBondContact O-CG 3.27Å; E461-Q465 PolarHBondContact O-N 3.36Å; S462-Q465 PolarHBondContact O-N 2.8Å; Q465-F467 PolarHBondContact O-N 2.77Å; Q465-F468 PolarHBondContact O-N 2.84Å; Q465-R469 WeakPolarHBondContact O-CB 3.23Å; Q465-R469 WeakPolarHBondContact O-CG 3.47Å; Q465-R469 PolarHBondContact O-N 2.9Å; Q465-F508 HydrophobicContact CB-CZ 4.19Å; Q465-F508 HydrophobicContact CG-CZ 4.19Å |
| 466 | D | 90.3 | Very high | 89.1 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 11% | 0.112 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -29.9 | 179.4 | -81.8 | -4.9 | 0 | 0 | 0 | 111.5 | S462 R469 L470 K556 L643 | S462-D466 PolarHBondContact O-N 3.12Å; D466-R469 IonicContact OD1-CZ 3.53Å; D466-R469 IonicContact OD1-NH1 2.61Å; D466-R469 PolarHBondContact OD1-NH1 3.02Å; D466-L470 WeakPolarHBondContact O-CB 3.34Å; D466-L470 PolarHBondContact O-N 3.31Å; D466-K556 IonicContact OD1-NZ 2.81Å; D466-K556 IonicContact OD2-NZ 2.7Å; D466-K556 PolarHBondContact OD2-NZ 3.4Å; D466-K556 VanDerWaalsContact OD2-NZ 3.16Å; D466-L643 HydrophobicContact CB-CD1 4.21Å |
| 467 | F | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -52.5 | 172.9 | 179.7 | -88 | 0 | 0 | 0 | 112 | C407 I409 A463 V464 Q465 L470 L471 L598 L643 T646 | C407-F467 HydrophobicContact CB-CE1 4.26Å; C407-F467 HydrophobicContact CB-CE2 4.44Å; C407-F467 HydrophobicContact CB-CZ 3.66Å; I409-F467 HydrophobicContact CD1-CB 4.25Å; I409-F467 HydrophobicContact CD1-CD1 3.61Å; I409-F467 HydrophobicContact CD1-CD2 4.14Å; I409-F467 HydrophobicContact CD1-CE1 3.88Å; I409-F467 HydrophobicContact CD1-CE2 4.36Å; I409-F467 HydrophobicContact CD1-CG 3.76Å; I409-F467 HydrophobicContact CD1-CZ 4.24Å; I409-F467 HydrophobicContact CG1-CD1 4.16Å; I409-F467 HydrophobicContact CG1-CD2 3.78Å; I409-F467 HydrophobicContact CG1-CE1 4.24Å; I409-F467 HydrophobicContact CG1-CE2 3.85Å; I409-F467 HydrophobicContact CG1-CG 3.94Å; I409-F467 HydrophobicContact CG1-CZ 4.08Å; I409-F467 HydrophobicContact CG2-CB 4.31Å; I409-F467 HydrophobicContact CG2-CD2 4.47Å; A463-F467 WeakPolarHBondContact O-CB 3.3Å; A463-F467 PolarHBondContact O-N 3.28Å; V464-F467 WeakPolarHBondContact O-CB 3.48Å; V464-F467 PolarHBondContact O-N 3.06Å; Q465-F467 PolarHBondContact O-N 2.77Å; F467-L470 WeakPolarHBondContact O-CB 3.28Å; F467-L470 PolarHBondContact O-N 3.43Å; F467-L471 HydrophobicContact CD1-CD1 4.1Å; F467-L471 HydrophobicContact CE1-CD1 3.6Å; F467-L471 HydrophobicContact CE1-CG 4.39Å; F467-L471 HydrophobicContact CZ-CD1 4.2Å; F467-L471 WeakPolarHBondContact O-CG 3.06Å; F467-L471 PolarHBondContact O-N 3.22Å; F467-L471 VanDerWaalsContact O-N 3.14Å; F467-L598 HydrophobicContact CD2-CD1 3.62Å; F467-L598 HydrophobicContact CE2-CD1 3.32Å; F467-L598 HydrophobicContact CE2-CG 4.37Å; F467-L598 HydrophobicContact CG-CD1 4.42Å; F467-L598 HydrophobicContact CZ-CD1 3.91Å; F467-L643 VanDerWaalsContact CA-CD2 3.42Å; F467-L643 HydrophobicContact CB-CD2 4Å; F467-L643 HydrophobicContact CB-CG 4.25Å; F467-L643 HydrophobicContact CD2-CD2 4.47Å; F467-L643 HydrophobicContact CD2-CG 4.48Å; F467-T646 HydrophobicContact CE1-CG2 4.4Å; F467-T646 HydrophobicContact CE2-CG2 4.04Å; F467-T646 HydrophobicContact CZ-CG2 3.49Å; F467-T646 VanDerWaalsContact CZ-CG2 3.49Å |
| 468 | F | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.3 | -30 | 178.7 | -74.2 | -65.9 | 0 | 0 | 0 | 113.3 | L453 V457 V464 Q465 L471 A472 A503 F506 F508 | L453-F468 HydrophobicContact CD1-CE2 4.27Å; L453-F468 HydrophobicContact CD1-CZ 4.45Å; L453-F468 HydrophobicContact CD2-CZ 4.16Å; L453-F468 HydrophobicContact CG-CZ 4.42Å; V457-F468 HydrophobicContact CG2-CD2 4.01Å; V457-F468 HydrophobicContact CG2-CE2 3.6Å; V464-F468 HydrophobicContact CG1-CD2 3.95Å; V464-F468 HydrophobicContact CG1-CE2 3.8Å; V464-F468 WeakPolarHBondContact O-CD2 3.41Å; V464-F468 PolarHBondContact O-N 2.84Å; V464-F468 VanDerWaalsContact O-N 3.14Å; Q465-F468 PolarHBondContact O-N 2.84Å; F468-L471 HydrophobicContact CD1-CD1 4.14Å; F468-L471 HydrophobicContact CE1-CD1 4.43Å; F468-L471 PolarHBondContact O-N 2.87Å; F468-A472 WeakPolarHBondContact O-CB 3.5Å; F468-A472 PolarHBondContact O-N 3.2Å; F468-A503 HydrophobicContact CD1-CB 4.29Å; F468-F506 HydrophobicContact CD1-CB 4.19Å; F468-F506 HydrophobicContact CD1-CD2 4.35Å; F468-F506 HydrophobicContact CD2-CB 4.36Å; F468-F506 HydrophobicContact CE1-CB 3.87Å; F468-F506 AromaticContact CE1-CD2 3.35Å; F468-F506 HydrophobicContact CE1-CD2 3.35Å; F468-F506 HydrophobicContact CE1-CE2 4.09Å; F468-F506 AromaticContact CE1-CG 3.77Å; F468-F506 HydrophobicContact CE1-CG 3.77Å; F468-F506 HydrophobicContact CE2-CB 4.04Å; F468-F506 HydrophobicContact CE2-CD1 4.49Å; F468-F506 HydrophobicContact CE2-CD2 4.42Å; F468-F506 HydrophobicContact CE2-CG 4.09Å; F468-F506 HydrophobicContact CG-CB 4.43Å; F468-F506 HydrophobicContact CZ-CB 3.78Å; F468-F506 HydrophobicContact CZ-CD1 4.06Å; F468-F506 AromaticContact CZ-CD2 3.39Å; F468-F506 HydrophobicContact CZ-CD2 3.39Å; F468-F506 AromaticContact CZ-CE2 3.96Å; F468-F506 HydrophobicContact CZ-CE2 3.96Å; F468-F506 AromaticContact CZ-CG 3.47Å; F468-F506 HydrophobicContact CZ-CG 3.47Å; F468-F506 VanDerWaalsContact CZ-CG 3.47Å; F468-F508 HydrophobicContact CB-CB 4.4Å; F468-F508 HydrophobicContact CB-CD1 4.39Å; F468-F508 HydrophobicContact CB-CD2 3.34Å; F468-F508 HydrophobicContact CB-CE2 3.56Å; F468-F508 HydrophobicContact CB-CG 3.8Å; F468-F508 HydrophobicContact CB-CZ 4.18Å; F468-F508 HydrophobicContact CD2-CD2 4.5Å; F468-F508 HydrophobicContact CD2-CE2 4.28Å; F468-F508 HydrophobicContact CG-CD2 4.05Å; F468-F508 HydrophobicContact CG-CE2 4.23Å |
| 469 | R | 92.4 | Very high | 88.9 | Confident | 39 Ų | 39 | 31.5 Ų | 31.5 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -46.2 | 169.3 | -77.2 | 179.3 | -177.3 | 121 | 12.8 | 111.6 | Q465 D466 L471 A472 L473 F508 E522 | Q465-R469 WeakPolarHBondContact O-CB 3.23Å; Q465-R469 WeakPolarHBondContact O-CG 3.47Å; Q465-R469 PolarHBondContact O-N 2.9Å; D466-R469 IonicContact OD1-CZ 3.53Å; D466-R469 IonicContact OD1-NH1 2.61Å; D466-R469 PolarHBondContact OD1-NH1 3.02Å; R469-L471 VanDerWaalsContact C-N 3.33Å; R469-L471 PolarHBondContact O-N 3.25Å; R469-A472 CarbonylContact O-C 3.59Å; R469-A472 PolarHBondContact O-N 3.03Å; R469-L473 HydrophobicContact CB-CD1 4.43Å; R469-L473 WeakPolarHBondContact O-CB 3.46Å; R469-L473 VanDerWaalsContact O-CG 3.25Å; R469-L473 WeakPolarHBondContact O-CG 3.46Å; R469-L473 PolarHBondContact O-N 3.16Å; R469-F508 HydrophobicContact CG-CD1 4.03Å; R469-F508 HydrophobicContact CG-CE1 3.73Å; R469-E522 WeakPolarHBondContact CD-OE1 3.47Å; R469-E522 WeakPolarHBondContact CG-OE1 3.43Å; R469-E522 IonicContact CZ-OE1 2.67Å; R469-E522 IonicContact CZ-OE2 2.73Å; R469-E522 IonicContact NE-OE1 2.72Å; R469-E522 PolarHBondContact NE-OE1 3.09Å; R469-E522 IonicContact NE-OE2 2.76Å; R469-E522 PolarHBondContact NE-OE2 3.45Å; R469-E522 IonicContact NH2-OE1 3.2Å; R469-E522 IonicContact NH2-OE2 3Å; R469-E522 PolarHBondContact NH2-OE2 3.23Å |
| 470 | L | 94 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 176.9 | -172.4 | 164.2 | 0 | 0 | 0 | 110.5 | D466 F467 A472 L473 C474 Y558 K560 L598 A599 L643 | D466-L470 WeakPolarHBondContact O-CB 3.34Å; D466-L470 PolarHBondContact O-N 3.31Å; F467-L470 WeakPolarHBondContact O-CB 3.28Å; F467-L470 PolarHBondContact O-N 3.43Å; L470-A472 VanDerWaalsContact C-N 3.29Å; L470-A472 PolarHBondContact O-N 3.4Å; L470-L473 PolarHBondContact O-N 3.46Å; L470-C474 HydrophobicContact CD2-CB 4.15Å; L470-C474 WeakPolarHBondContact O-CB 3.14Å; L470-C474 PolarHBondContact O-N 3.22Å; L470-Y558 HydrophobicContact CB-CD1 3.73Å; L470-Y558 HydrophobicContact CB-CE1 4.05Å; L470-Y558 HydrophobicContact CB-CG 4.33Å; L470-Y558 HydrophobicContact CD1-CD1 3.75Å; L470-Y558 HydrophobicContact CG-CD1 3.62Å; L470-Y558 HydrophobicContact CG-CE1 4.41Å; L470-Y558 HydrophobicContact CG-CG 4.06Å; L470-K560 HydrophobicContact CD2-CB 4.44Å; L470-L598 HydrophobicContact CD1-CB 3.89Å; L470-L598 HydrophobicContact CD2-CB 4.35Å; L470-L598 HydrophobicContact CD2-CD1 4.12Å; L470-L598 HydrophobicContact CD2-CD2 3.85Å; L470-L598 HydrophobicContact CD2-CG 4.35Å; L470-A599 WeakPolarHBondContact CD1-O 3.47Å; L470-L643 HydrophobicContact CB-CD2 4.39Å; L470-L643 HydrophobicContact CD1-CD2 3.87Å |
| 471 | L | 93.3 | Very high | 88.3 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -34.9 | 177.6 | -65.2 | -174.9 | 0 | 0 | 0 | 113.3 | F467 F468 R469 H475 L499 A503 L598 T646 | F467-L471 HydrophobicContact CD1-CD1 4.1Å; F467-L471 HydrophobicContact CE1-CD1 3.6Å; F467-L471 HydrophobicContact CE1-CG 4.39Å; F467-L471 HydrophobicContact CZ-CD1 4.2Å; F467-L471 WeakPolarHBondContact O-CG 3.06Å; F467-L471 PolarHBondContact O-N 3.22Å; F467-L471 VanDerWaalsContact O-N 3.14Å; F468-L471 HydrophobicContact CD1-CD1 4.14Å; F468-L471 HydrophobicContact CE1-CD1 4.43Å; F468-L471 PolarHBondContact O-N 2.87Å; R469-L471 VanDerWaalsContact C-N 3.33Å; R469-L471 PolarHBondContact O-N 3.25Å; L471-H475 PolarHBondContact O-CD2 3.45Å; L471-L499 HydrophobicContact CD1-CD2 4.44Å; L471-L499 HydrophobicContact CD2-CB 4.28Å; L471-L499 HydrophobicContact CD2-CD1 4.23Å; L471-L499 HydrophobicContact CD2-CD2 3.96Å; L471-L499 HydrophobicContact CD2-CG 4.38Å; L471-A503 HydrophobicContact CB-CB 4.1Å; L471-L598 HydrophobicContact CD2-CD1 3.78Å; L471-L598 HydrophobicContact CD2-CD2 4.3Å; L471-L598 HydrophobicContact CG-CD1 4.32Å; L471-T646 HydrophobicContact CD1-CG2 4.36Å; L471-T646 HydrophobicContact CD2-CG2 4.02Å |
| 472 | A | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -85 | -10.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F468 R469 L470 H475 A503 F508 L520 | F468-A472 WeakPolarHBondContact O-CB 3.5Å; F468-A472 PolarHBondContact O-N 3.2Å; R469-A472 CarbonylContact O-C 3.59Å; R469-A472 PolarHBondContact O-N 3.03Å; L470-A472 VanDerWaalsContact C-N 3.29Å; L470-A472 PolarHBondContact O-N 3.4Å; A472-H475 VanDerWaalsContact C-CD2 3.48Å; A472-H475 PolarHBondContact O-CD2 2.84Å; A472-H475 PolarHBondContact O-NE2 2.86Å; A472-A503 HydrophobicContact CB-CB 4.17Å; A472-F508 HydrophobicContact CB-CB 4.23Å; A472-L520 HydrophobicContact CB-CD1 4.01Å; A472-L520 HydrophobicContact CB-CD2 4.03Å |
| 473 | L | 92.3 | Very high | 87 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -111.9 | -44.5 | -178.8 | -68.8 | 170.2 | 0 | 0 | 0 | 112.4 | R469 L470 H475 I518 L520 Y529 V548 Y558 | R469-L473 HydrophobicContact CB-CD1 4.43Å; R469-L473 WeakPolarHBondContact O-CB 3.46Å; R469-L473 VanDerWaalsContact O-CG 3.25Å; R469-L473 WeakPolarHBondContact O-CG 3.46Å; R469-L473 PolarHBondContact O-N 3.16Å; L470-L473 PolarHBondContact O-N 3.46Å; L473-H475 PolarHBondContact O-N 2.88Å; L473-I518 HydrophobicContact CD2-CB 4.29Å; L473-I518 HydrophobicContact CD2-CD1 4.37Å; L473-I518 HydrophobicContact CD2-CG2 3.9Å; L473-L520 HydrophobicContact CD1-CD1 4.36Å; L473-L520 HydrophobicContact CD2-CD1 3.51Å; L473-L520 HydrophobicContact CD2-CG 4.03Å; L473-L520 HydrophobicContact CG-CD1 3.75Å; L473-Y529 HydrophobicContact CD1-CD1 3.92Å; L473-Y529 HydrophobicContact CD1-CE1 3.85Å; L473-Y529 HydrophobicContact CD1-CG 4.35Å; L473-Y529 HydrophobicContact CD2-CD1 4.27Å; L473-Y529 HydrophobicContact CD2-CD2 3.98Å; L473-Y529 HydrophobicContact CD2-CG 3.88Å; L473-V548 HydrophobicContact CD1-CG2 4.28Å; L473-Y558 HydrophobicContact CB-CD2 4.42Å; L473-Y558 HydrophobicContact CD1-CD2 4.14Å; L473-Y558 HydrophobicContact CD1-CE2 3.67Å |
| 474 | C | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -84.9 | 76 | -175.7 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | L470 V546 K560 | L470-C474 HydrophobicContact CD2-CB 4.15Å; L470-C474 WeakPolarHBondContact O-CB 3.14Å; L470-C474 PolarHBondContact O-N 3.22Å; C474-V546 HydrophobicContact CB-CB 4.42Å; C474-V546 HydrophobicContact CB-CG2 4.32Å; C474-K560 WeakPolarHBondContact O-CD 3.41Å; C474-K560 WeakPolarHBondContact O-CE 3.37Å; C474-K560 PolarHBondContact O-NZ 3.46Å |
| 475 | H | 89.8 | Confident | 84.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -160.9 | 168.6 | 176.5 | 63.7 | 78.3 | 0 | 0 | 0 | 112.8 | L471 A472 L473 V477 V500 F510 R513 | L471-H475 PolarHBondContact O-CD2 3.45Å; A472-H475 VanDerWaalsContact C-CD2 3.48Å; A472-H475 PolarHBondContact O-CD2 2.84Å; A472-H475 PolarHBondContact O-NE2 2.86Å; L473-H475 PolarHBondContact O-N 2.88Å; H475-V477 HydrophobicContact CB-CG2 4.14Å; H475-V477 WeakPolarHBondContact ND1-CB 3.37Å; H475-V477 PolarHBondContact ND1-N 3.34Å; H475-V477 VanDerWaalsContact ND1-N 3.17Å; H475-V500 HydrophobicContact CB-CG2 3.99Å; H475-V500 WeakPolarHBondContact CD2-CG2 3.39Å; H475-F510 AromaticContact CE1-CD1 3.61Å; H475-F510 AromaticContact CE1-CE1 3.57Å; H475-F510 AromaticContact CE1-CG 3.91Å; H475-F510 AromaticContact CE1-CZ 3.86Å; H475-F510 AromaticContact NE2-CG 3.99Å; H475-R513 PolarHBondContact CE1-NH2 3.29Å; H475-R513 PolarHBondContact ND1-NH2 3.02Å; H475-R513 VanDerWaalsContact O-CZ 3.26Å; H475-R513 PolarHBondContact O-NH1 3.14Å; H475-R513 PolarHBondContact O-NH2 3.3Å |
| 476 | T | 85.6 | Confident | 84.4 | Confident | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | trans | -104.8 | 0.6 | 173.1 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | E496 M544 H1132 I1140 | T476-E496 PolarHBondContact N-OE2 3Å; T476-E496 PolarHBondContact OG1-OE2 3.39Å; T476-M544 HydrophobicContact CG2-CE 3.46Å; T476-M544 VanDerWaalsContact CG2-CE 3.46Å; T476-H1132 PolarHBondContact OG1-CE1 3.08Å; T476-I1140 HydrophobicContact CG2-CD1 4.2Å | ||
| 477 | V | 84.9 | Confident | 84 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -52.6 | 138.9 | 179.7 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | H475 Y489 Q490 A491 E496 V500 F510 | H475-V477 HydrophobicContact CB-CG2 4.14Å; H475-V477 WeakPolarHBondContact ND1-CB 3.37Å; H475-V477 PolarHBondContact ND1-N 3.34Å; H475-V477 VanDerWaalsContact ND1-N 3.17Å; V477-Y489 HydrophobicContact CG1-CD1 4.08Å; V477-Y489 HydrophobicContact CG1-CG 4.05Å; V477-Q490 WeakPolarHBondContact CA-O 3.03Å; V477-Q490 WeakPolarHBondContact CG1-O 3.06Å; V477-A491 HydrophobicContact CB-CB 4.48Å; V477-A491 HydrophobicContact CG1-CB 4.38Å; V477-A491 HydrophobicContact CG2-CB 3.66Å; V477-E496 HydrophobicContact CG2-CB 3.95Å; V477-V500 HydrophobicContact CB-CG2 4.3Å; V477-V500 HydrophobicContact CG2-CB 4.39Å; V477-V500 HydrophobicContact CG2-CG2 3.77Å; V477-F510 WeakPolarHBondContact O-CE1 3.5Å; V477-F510 WeakPolarHBondContact O-CZ 3.27Å | ||
| 478 | M | 81.7 | Confident | 83.4 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 30% | 0.3 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.9 | 174.6 | -65.8 | -63.8 | -73.5 | 0 | 0 | 110.5 | Q490 M1146 | M478-Q490 PolarHBondContact N-O 3.06Å; M478-Q490 PolarHBondContact O-N 3.5Å; M478-M1146 HydrophobicContact CE-CE 3.97Å |
| 479 | P | 84.5 | Confident | 83.1 | Confident | 30 Ų | 30 | 44.7 Ų | 44.7 | 20% | 0.195 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133.1 | 176.9 | 32.4 | -22.5 | 0 | 0 | 0 | 110.3 | L487 Y489 F510 R511 | P479-L487 HydrophobicContact CB-CD1 3.92Å; P479-Y489 HydrophobicContact CB-CD1 4.32Å; P479-Y489 HydrophobicContact CB-CE1 4.25Å; P479-F510 HydrophobicContact CB-CD1 4.13Å; P479-F510 HydrophobicContact CB-CE1 3.89Å; P479-F510 HydrophobicContact CG-CD1 4.13Å; P479-F510 HydrophobicContact CG-CE1 3.5Å; P479-F510 HydrophobicContact CG-CE2 4.38Å; P479-F510 HydrophobicContact CG-CZ 3.66Å; P479-R511 WeakPolarHBondContact CB-O 3.35Å; P479-R511 WeakPolarHBondContact CG-O 3.46Å |
| 480 | E | 77.9 | Confident | 82.3 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.6 | 173 | -171.9 | -170.4 | -164.3 | 0 | 0 | 109.4 | K482 V488 Q490 | E480-K482 HydrophobicContact CG-CG 4.44Å; E480-K482 WeakPolarHBondContact OE2-CE 3.24Å; E480-V488 PolarHBondContact N-O 3.47Å; E480-V488 PolarHBondContact O-N 2.91Å; E480-Q490 PolarHBondContact OE2-NE2 2.7Å |
| 481 | E | 76.3 | Confident | 81.6 | Confident | 121 Ų | 121 | 46.8 Ų | 46.8 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 102.2 | 174.3 | -166.2 | 165.8 | -165.7 | 0 | 0 | 109 | S483 G485 | E481-S483 WeakPolarHBondContact CG-O 3.37Å; E481-G485 PolarHBondContact OE1-N 2.7Å; E481-G485 VanDerWaalsContact OE1-N 3.15Å |
| 482 | K | 71.8 | Confident | 80.3 | Confident | 133 Ų | 133 | 48 Ų | 48 | 58% | 0.578 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -34.3 | -177 | -69.2 | -175 | 178.6 | 178.5 | 0 | 112.4 | E480 N486 V488 | E480-K482 HydrophobicContact CG-CG 4.44Å; E480-K482 WeakPolarHBondContact OE2-CE 3.24Å; K482-N486 PolarHBondContact N-O 2.63Å; K482-N486 VanDerWaalsContact N-O 3.17Å; K482-V488 HydrophobicContact CD-CG2 4.19Å; K482-V488 HydrophobicContact CG-CG2 4.48Å |
| 483 | S | 72.4 | Confident | 79.5 | Confident | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 158.7 | 176.3 | 58.7 | 0 | 0 | 0 | 0 | 108.5 | E481 G485 N486 | E481-S483 WeakPolarHBondContact CG-O 3.37Å; S483-G485 PolarHBondContact O-N 3.07Å; S483-N486 PolarHBondContact O-N 3.24Å; S483-N486 VanDerWaalsContact OG-CB 3.26Å; S483-N486 WeakPolarHBondContact OG-CB 3.34Å |
| 484 | E | 66.9 | Low | 78.8 | Confident | 198 Ų | 198 | 49.7 Ų | 49.7 | 93% | 0.925 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 117 | 178.2 | -72.3 | -174.9 | 164.1 | 0 | 0 | 111 | ||
| 485 | G | 67.3 | Low | 78.4 | Confident | 43 Ų | 43 | 49.8 Ų | 49.8 | 44% | 0.443 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -2.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | E481 S483 | E481-G485 PolarHBondContact OE1-N 2.7Å; E481-G485 VanDerWaalsContact OE1-N 3.15Å; S483-G485 PolarHBondContact O-N 3.07Å |
| 486 | N | 78 | Confident | 78.2 | Confident | 77 Ų | 77 | 49.7 Ų | 49.7 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 80 | 173.9 | -166.9 | 15.2 | 0 | 0 | 0 | 111.3 | K482 S483 | K482-N486 PolarHBondContact N-O 2.63Å; K482-N486 VanDerWaalsContact N-O 3.17Å; S483-N486 PolarHBondContact O-N 3.24Å; S483-N486 VanDerWaalsContact OG-CB 3.26Å; S483-N486 WeakPolarHBondContact OG-CB 3.34Å |
| 487 | L | 82.7 | Confident | 78.3 | Confident | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.7 | 174.8 | -175.4 | 67.4 | 0 | 0 | 0 | 109.9 | P479 Y489 R504 I509 | P479-L487 HydrophobicContact CB-CD1 3.92Å; L487-Y489 HydrophobicContact CD2-CE1 3.8Å; L487-Y489 HydrophobicContact CG-CE1 4.08Å; L487-R504 PolarHBondContact O-NH1 2.83Å; L487-I509 HydrophobicContact CD2-CG2 3.83Å |
| 488 | V | 82.5 | Confident | 78.5 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.6 | 176.1 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | E480 K482 | E480-V488 PolarHBondContact N-O 3.47Å; E480-V488 PolarHBondContact O-N 2.91Å; K482-V488 HydrophobicContact CD-CG2 4.19Å; K482-V488 HydrophobicContact CG-CG2 4.48Å |
| 489 | Y | 85.2 | Confident | 79 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 11% | 0.11 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.7 | 176.3 | -69.9 | -41.3 | 0 | 0 | 0 | 110.7 | V477 P479 L487 V500 R504 F510 | V477-Y489 HydrophobicContact CG1-CD1 4.08Å; V477-Y489 HydrophobicContact CG1-CG 4.05Å; P479-Y489 HydrophobicContact CB-CD1 4.32Å; P479-Y489 HydrophobicContact CB-CE1 4.25Å; L487-Y489 HydrophobicContact CD2-CE1 3.8Å; L487-Y489 HydrophobicContact CG-CE1 4.08Å; Y489-V500 HydrophobicContact CD1-CG1 4.35Å; Y489-V500 HydrophobicContact CD2-CB 4.48Å; Y489-V500 HydrophobicContact CD2-CG1 3.91Å; Y489-V500 HydrophobicContact CE1-CG1 4.18Å; Y489-V500 HydrophobicContact CE2-CG1 3.67Å; Y489-V500 HydrophobicContact CG-CG1 4.24Å; Y489-R504 HydrophobicContact CE2-CB 3.84Å; Y489-R504 VanDerWaalsContact CE2-CD 3.45Å; Y489-R504 HydrophobicContact CE2-CG 4.23Å; Y489-F510 HydrophobicContact CD1-CD1 4.15Å; Y489-F510 HydrophobicContact CE1-CB 4.14Å; Y489-F510 AromaticContact CE1-CD1 3.72Å; Y489-F510 HydrophobicContact CE1-CD1 3.72Å; Y489-F510 HydrophobicContact CE1-CG 4.39Å; Y489-F510 VanDerWaalsContact CE1-O 3.31Å; Y489-F510 WeakPolarHBondContact CE1-O 3.4Å; Y489-F510 PolarHBondContact OH-N 3.09Å; Y489-F510 VanDerWaalsContact OH-N 3.13Å; Y489-F510 PolarHBondContact OH-O 3.04Å |
| 490 | Q | 76.8 | Confident | 79.4 | Confident | 56 Ų | 56 | 46.2 Ų | 46.2 | 26% | 0.262 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.1 | 174.7 | -59 | -172.9 | -2 | 0 | 0 | 108.7 | N238 V477 M478 E480 | N238-Q490 PolarHBondContact ND2-OE1 3.31Å; V477-Q490 WeakPolarHBondContact CA-O 3.03Å; V477-Q490 WeakPolarHBondContact CG1-O 3.06Å; M478-Q490 PolarHBondContact N-O 3.06Å; M478-Q490 PolarHBondContact O-N 3.5Å; E480-Q490 PolarHBondContact OE2-NE2 2.7Å |
| 491 | A | 77.8 | Confident | 80 | Confident | 27 Ų | 27 | 44 Ų | 44 | 22% | 0.223 | 24% | 0.241 | C | C | . | . | trans | -117.5 | 145 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V477 S493 E496 | V477-A491 HydrophobicContact CB-CB 4.48Å; V477-A491 HydrophobicContact CG1-CB 4.38Å; V477-A491 HydrophobicContact CG2-CB 3.66Å; A491-S493 VanDerWaalsContact C-N 3.3Å; A491-S493 WeakPolarHBondContact CB-O 3.45Å; A491-E496 HydrophobicContact CB-CB 4.46Å | ||
| 492 | Q | 67.4 | Low | 80.7 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -69.1 | -33.1 | 171.6 | -178.2 | -177.5 | -2.7 | 0 | 0 | 111.7 | N173 H1132 Q1133 Y1136 | N173-Q492 PolarHBondContact ND2-O 3.34Å; N173-Q492 VanDerWaalsContact ND2-O 3.11Å; N173-Q492 PolarHBondContact OD1-O 2.89Å; Q492-H1132 PolarHBondContact OE1-CE1 2.96Å; Q492-H1132 PolarHBondContact OE1-NE2 3.32Å; Q492-Q1133 PolarHBondContact NE2-O 3.46Å; Q492-Y1136 HydrophobicContact CB-CE2 4.44Å; Q492-Y1136 HydrophobicContact CG-CE2 4.3Å |
| 493 | S | 75.2 | Confident | 81.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -119.5 | 131.6 | 176 | 159.6 | 0 | 0 | 0 | 0 | 108.4 | A491 D495 E496 G497 S1131 | A491-S493 VanDerWaalsContact C-N 3.3Å; A491-S493 WeakPolarHBondContact CB-O 3.45Å; S493-D495 PolarHBondContact O-N 3.42Å; S493-D495 WeakPolarHBondContact OG-CB 3.41Å; S493-D495 PolarHBondContact OG-N 2.87Å; S493-E496 PolarHBondContact O-N 2.9Å; S493-E496 VanDerWaalsContact O-N 3.12Å; S493-G497 PolarHBondContact O-N 3.2Å; S493-G497 VanDerWaalsContact O-N 3.16Å; S493-S1131 PolarHBondContact OG-OG 3.24Å |
| 494 | P | 78.3 | Confident | 82.5 | Confident | 35 Ų | 35 | 29.3 Ų | 29.3 | 23% | 0.227 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64 | -24.5 | 177.3 | 28.4 | -36.7 | 0 | 0 | 0 | 112 | M402 G497 A498 | M402-P494 HydrophobicContact CB-CB 4.27Å; M402-P494 HydrophobicContact CE-CG 4.19Å; M402-P494 HydrophobicContact CG-CB 3.63Å; M402-P494 HydrophobicContact CG-CG 3.81Å; P494-G497 PolarHBondContact O-N 2.95Å; P494-A498 WeakPolarHBondContact O-CB 3.38Å; P494-A498 PolarHBondContact O-N 3.12Å |
| 495 | D | 83.4 | Confident | 83.5 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 173.6 | -54.7 | -32.6 | 0 | 0 | 0 | 110.4 | M402 S493 A498 L499 R594 I648 F1130 S1131 | M402-D495 WeakPolarHBondContact CG-OD1 3.38Å; S493-D495 PolarHBondContact O-N 3.42Å; S493-D495 WeakPolarHBondContact OG-CB 3.41Å; S493-D495 PolarHBondContact OG-N 2.87Å; D495-A498 PolarHBondContact O-N 3.17Å; D495-L499 WeakPolarHBondContact O-CG 3.35Å; D495-L499 PolarHBondContact O-N 3Å; D495-L499 VanDerWaalsContact O-N 3.08Å; D495-R594 IonicContact OD1-NH1 3.29Å; D495-R594 PolarHBondContact OD1-NH1 3.39Å; D495-R594 VanDerWaalsContact OD1-NH1 3.08Å; D495-R594 IonicContact OD2-NH1 3.01Å; D495-I648 HydrophobicContact CB-CD1 3.85Å; D495-F1130 HydrophobicContact CB-CD2 4.08Å; D495-F1130 HydrophobicContact CB-CE2 3.98Å; D495-S1131 VanDerWaalsContact OD2-CB 3.28Å; D495-S1131 WeakPolarHBondContact OD2-CB 3.24Å; D495-S1131 PolarHBondContact OD2-N 3.47Å; D495-S1131 PolarHBondContact OD2-OG 3.48Å |
| 496 | E | 85.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 175.2 | -63 | -157.2 | 143.3 | 0 | 0 | 111.9 | T476 V477 A491 S493 A498 L499 V500 M544 K560 F1130 H1132 | T476-E496 PolarHBondContact N-OE2 3Å; T476-E496 PolarHBondContact OG1-OE2 3.39Å; V477-E496 HydrophobicContact CG2-CB 3.95Å; A491-E496 HydrophobicContact CB-CB 4.46Å; S493-E496 PolarHBondContact O-N 2.9Å; S493-E496 VanDerWaalsContact O-N 3.12Å; E496-A498 VanDerWaalsContact C-N 3.29Å; E496-A498 PolarHBondContact O-N 3.39Å; E496-L499 PolarHBondContact O-N 2.82Å; E496-V500 WeakPolarHBondContact O-CG2 3.28Å; E496-V500 PolarHBondContact O-N 3.07Å; E496-M544 VanDerWaalsContact OE1-SD 3.4Å; E496-K560 WeakPolarHBondContact OE1-CE 3.39Å; E496-K560 IonicContact OE1-NZ 3.01Å; E496-K560 PolarHBondContact OE1-NZ 3.02Å; E496-F1130 HydrophobicContact CG-CE2 4.23Å; E496-F1130 HydrophobicContact CG-CZ 3.78Å; E496-H1132 IonicContact OE1-CE1 2.82Å; E496-H1132 IonicContact OE1-ND1 2.97Å; E496-H1132 IonicContact OE2-CE1 3.85Å; E496-H1132 IonicContact OE2-ND1 3.68Å |
| 497 | G | 87.8 | Confident | 85 | Confident | 12 Ų | 12 | 14.4 Ų | 14.4 | 12% | 0.124 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.5 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S493 P494 T501 | S493-G497 PolarHBondContact O-N 3.2Å; S493-G497 VanDerWaalsContact O-N 3.16Å; P494-G497 PolarHBondContact O-N 2.95Å; G497-T501 VanDerWaalsContact O-CB 3.25Å; G497-T501 WeakPolarHBondContact O-CB 3.35Å; G497-T501 PolarHBondContact O-N 2.72Å; G497-T501 PolarHBondContact O-OG1 2.96Å |
| 498 | A | 89.1 | Confident | 85.4 | Confident | 9 Ų | 9 | 13.9 Ų | 13.9 | 7% | 0.074 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M402 P494 D495 E496 T501 A502 I648 | M402-A498 HydrophobicContact CB-CB 3.99Å; M402-A498 WeakPolarHBondContact O-CB 3.43Å; P494-A498 WeakPolarHBondContact O-CB 3.38Å; P494-A498 PolarHBondContact O-N 3.12Å; D495-A498 PolarHBondContact O-N 3.17Å; E496-A498 VanDerWaalsContact C-N 3.29Å; E496-A498 PolarHBondContact O-N 3.39Å; A498-T501 PolarHBondContact O-N 3.33Å; A498-A502 WeakPolarHBondContact O-CB 3.37Å; A498-A502 PolarHBondContact O-N 3.01Å; A498-I648 HydrophobicContact CB-CG2 4.45Å |
| 499 | L | 92.4 | Very high | 85.8 | Confident | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 178.1 | -68.8 | 174.4 | 0 | 0 | 0 | 112.5 | F404 L471 D495 E496 T501 A502 A503 L596 T646 I648 | F404-L499 HydrophobicContact CD2-CD2 4.01Å; F404-L499 HydrophobicContact CE2-CD2 4.44Å; L471-L499 HydrophobicContact CD1-CD2 4.44Å; L471-L499 HydrophobicContact CD2-CB 4.28Å; L471-L499 HydrophobicContact CD2-CD1 4.23Å; L471-L499 HydrophobicContact CD2-CD2 3.96Å; L471-L499 HydrophobicContact CD2-CG 4.38Å; D495-L499 WeakPolarHBondContact O-CG 3.35Å; D495-L499 PolarHBondContact O-N 3Å; D495-L499 VanDerWaalsContact O-N 3.08Å; E496-L499 PolarHBondContact O-N 2.82Å; L499-T501 VanDerWaalsContact C-N 3.34Å; L499-A502 WeakPolarHBondContact O-CB 3.19Å; L499-A502 PolarHBondContact O-N 2.89Å; L499-A503 PolarHBondContact O-N 2.74Å; L499-L596 HydrophobicContact CD1-CD1 3.96Å; L499-T646 HydrophobicContact CD2-CG2 3.94Å; L499-I648 HydrophobicContact CD1-CD1 4.23Å; L499-I648 HydrophobicContact CD2-CD1 3.9Å; L499-I648 HydrophobicContact CD2-CG1 4.2Å; L499-I648 HydrophobicContact CG-CD1 3.85Å |
| 500 | V | 92 | Very high | 86.1 | Confident | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -70 | -34.7 | 179.4 | -179.7 | 0 | 0 | 0 | 0 | 111 | H475 V477 Y489 E496 A503 R504 F510 | H475-V500 HydrophobicContact CB-CG2 3.99Å; H475-V500 WeakPolarHBondContact CD2-CG2 3.39Å; V477-V500 HydrophobicContact CB-CG2 4.3Å; V477-V500 HydrophobicContact CG2-CB 4.39Å; V477-V500 HydrophobicContact CG2-CG2 3.77Å; Y489-V500 HydrophobicContact CD1-CG1 4.35Å; Y489-V500 HydrophobicContact CD2-CB 4.48Å; Y489-V500 HydrophobicContact CD2-CG1 3.91Å; Y489-V500 HydrophobicContact CE1-CG1 4.18Å; Y489-V500 HydrophobicContact CE2-CG1 3.67Å; Y489-V500 HydrophobicContact CG-CG1 4.24Å; E496-V500 WeakPolarHBondContact O-CG2 3.28Å; E496-V500 PolarHBondContact O-N 3.07Å; V500-A503 PolarHBondContact O-N 3.02Å; V500-R504 WeakPolarHBondContact O-CB 3.29Å; V500-R504 PolarHBondContact O-N 3.36Å; V500-F510 HydrophobicContact CG1-CB 4.24Å; V500-F510 HydrophobicContact CG1-CD1 4.39Å |
| 501 | T | 90.2 | Very high | 86.6 | Confident | 25 Ų | 25 | 14.5 Ų | 14.5 | 15% | 0.153 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.9 | -40.5 | 173.5 | -57 | 0 | 0 | 0 | 0 | 111.3 | D443 G497 A498 L499 R504 N505 | D443-T501 HydrophobicContact CB-CG2 4.13Å; G497-T501 VanDerWaalsContact O-CB 3.25Å; G497-T501 WeakPolarHBondContact O-CB 3.35Å; G497-T501 PolarHBondContact O-N 2.72Å; G497-T501 PolarHBondContact O-OG1 2.96Å; A498-T501 PolarHBondContact O-N 3.33Å; L499-T501 VanDerWaalsContact C-N 3.34Å; T501-R504 WeakPolarHBondContact O-CB 3.24Å; T501-R504 PolarHBondContact O-N 2.88Å; T501-N505 PolarHBondContact O-N 3.18Å; T501-N505 VanDerWaalsContact O-N 3.14Å; T501-N505 PolarHBondContact O-ND2 3.43Å |
| 502 | A | 90.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.4 | -51.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | F404 F446 A498 L499 R504 N505 F506 | F404-A502 HydrophobicContact CB-CB 3.63Å; F404-A502 HydrophobicContact CD1-CB 3.86Å; F404-A502 HydrophobicContact CD2-CB 4.13Å; F404-A502 HydrophobicContact CG-CB 3.6Å; F446-A502 HydrophobicContact CE2-CB 4.11Å; F446-A502 HydrophobicContact CZ-CB 4.18Å; A498-A502 WeakPolarHBondContact O-CB 3.37Å; A498-A502 PolarHBondContact O-N 3.01Å; L499-A502 WeakPolarHBondContact O-CB 3.19Å; L499-A502 PolarHBondContact O-N 2.89Å; A502-R504 VanDerWaalsContact C-N 3.26Å; A502-R504 PolarHBondContact O-N 3.25Å; A502-N505 PolarHBondContact O-N 3.35Å; A502-F506 WeakPolarHBondContact O-CD2 3.44Å; A502-F506 PolarHBondContact O-N 2.95Å; A502-F506 VanDerWaalsContact O-N 3.1Å |
| 503 | A | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55.1 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F468 L471 A472 L499 V500 N505 F506 G507 F508 | F468-A503 HydrophobicContact CD1-CB 4.29Å; L471-A503 HydrophobicContact CB-CB 4.1Å; A472-A503 HydrophobicContact CB-CB 4.17Å; L499-A503 PolarHBondContact O-N 2.74Å; V500-A503 PolarHBondContact O-N 3.02Å; A503-N505 PolarHBondContact O-N 3.39Å; A503-F506 PolarHBondContact O-N 3Å; A503-G507 PolarHBondContact O-N 3.12Å; A503-F508 CarbonylContact C-O 3.59Å; A503-F508 VanDerWaalsContact C-O 3.23Å; A503-F508 HydrophobicContact CB-CB 4.34Å; A503-F508 CarbonylContact O-C 3.54Å; A503-F508 WeakPolarHBondContact O-CA 3.46Å; A503-F508 PolarHBondContact O-N 3.27Å |
| 504 | R | 90.4 | Very high | 87.6 | Confident | 14 Ų | 14 | 17.5 Ų | 17.5 | 5% | 0.053 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56 | -48.1 | 173.7 | 170 | -177.5 | 176 | 179.9 | 0 | 112.1 | N439 L441 L487 Y489 V500 T501 A502 G507 F508 I509 | N439-R504 PolarHBondContact ND2-O 2.96Å; L441-R504 PolarHBondContact O-NE 3.12Å; L441-R504 PolarHBondContact O-NH2 3.18Å; L487-R504 PolarHBondContact O-NH1 2.83Å; Y489-R504 HydrophobicContact CE2-CB 3.84Å; Y489-R504 VanDerWaalsContact CE2-CD 3.45Å; Y489-R504 HydrophobicContact CE2-CG 4.23Å; V500-R504 WeakPolarHBondContact O-CB 3.29Å; V500-R504 PolarHBondContact O-N 3.36Å; T501-R504 WeakPolarHBondContact O-CB 3.24Å; T501-R504 PolarHBondContact O-N 2.88Å; A502-R504 VanDerWaalsContact C-N 3.26Å; A502-R504 PolarHBondContact O-N 3.25Å; R504-G507 PolarHBondContact O-N 3.48Å; R504-G507 VanDerWaalsContact O-N 3.11Å; R504-F508 WeakPolarHBondContact CA-O 3.29Å; R504-F508 PolarHBondContact N-O 3.09Å; R504-I509 HydrophobicContact CG-CG1 4.24Å; R504-I509 HydrophobicContact CG-CG2 4.37Å |
| 505 | N | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.1 | -35.7 | -177 | -69.4 | -42.9 | 0 | 0 | 0 | 112.8 | F436 C442 D443 F446 T501 A502 A503 G507 | F436-N505 HydrophobicContact CD1-CB 4.2Å; F436-N505 WeakPolarHBondContact CD1-O 3.43Å; F436-N505 HydrophobicContact CE1-CB 4.2Å; C442-N505 WeakPolarHBondContact CA-OD1 3.28Å; D443-N505 PolarHBondContact N-OD1 2.84Å; F446-N505 WeakPolarHBondContact CB-ND2 3.43Å; F446-N505 HydrophobicContact CD1-CB 3.71Å; F446-N505 WeakPolarHBondContact CD1-ND2 3.47Å; F446-N505 HydrophobicContact CE1-CB 3.95Å; F446-N505 HydrophobicContact CG-CB 4.33Å; F446-N505 WeakPolarHBondContact CG-ND2 3.34Å; T501-N505 PolarHBondContact O-N 3.18Å; T501-N505 VanDerWaalsContact O-N 3.14Å; T501-N505 PolarHBondContact O-ND2 3.43Å; A502-N505 PolarHBondContact O-N 3.35Å; A503-N505 PolarHBondContact O-N 3.39Å; N505-G507 PolarHBondContact O-N 2.97Å |
| 506 | F | 89.2 | Confident | 87 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 8.2 | 172.8 | -66.7 | -76.4 | 0 | 0 | 0 | 113.9 | F404 F436 F446 F448 L453 V454 V457 F468 A502 A503 | F404-F506 HydrophobicContact CE1-CE2 4.38Å; F436-F506 HydrophobicContact CE1-CD1 4.17Å; F436-F506 HydrophobicContact CE1-CE1 4.04Å; F436-F506 HydrophobicContact CE1-CZ 4.39Å; F436-F506 HydrophobicContact CZ-CE1 4.28Å; F436-F506 HydrophobicContact CZ-CZ 4.29Å; F446-F506 HydrophobicContact CE1-CE2 4.18Å; F446-F506 HydrophobicContact CZ-CE2 4.11Å; F448-F506 HydrophobicContact CD1-CE1 4.33Å; F448-F506 AromaticContact CD1-CZ 3.8Å; F448-F506 HydrophobicContact CD1-CZ 3.8Å; F448-F506 HydrophobicContact CD2-CZ 4.34Å; F448-F506 HydrophobicContact CE1-CE1 4.44Å; F448-F506 AromaticContact CE1-CZ 3.95Å; F448-F506 HydrophobicContact CE1-CZ 3.95Å; F448-F506 HydrophobicContact CE2-CZ 4.48Å; F448-F506 HydrophobicContact CG-CZ 4Å; F448-F506 HydrophobicContact CZ-CZ 4.3Å; L453-F506 HydrophobicContact CB-CE1 4.4Å; L453-F506 HydrophobicContact CD2-CE1 3.82Å; L453-F506 HydrophobicContact CD2-CE2 4.27Å; L453-F506 HydrophobicContact CD2-CZ 3.64Å; L453-F506 HydrophobicContact CG-CD1 4.47Å; L453-F506 HydrophobicContact CG-CE1 3.9Å; L453-F506 HydrophobicContact CG-CZ 4.26Å; V454-F506 HydrophobicContact CG2-CD1 3.93Å; V454-F506 HydrophobicContact CG2-CE1 3.58Å; V457-F506 WeakPolarHBondContact CG1-O 3.34Å; V457-F506 HydrophobicContact CG2-CD1 4.37Å; F468-F506 HydrophobicContact CD1-CB 4.19Å; F468-F506 HydrophobicContact CD1-CD2 4.35Å; F468-F506 HydrophobicContact CD2-CB 4.36Å; F468-F506 HydrophobicContact CE1-CB 3.87Å; F468-F506 AromaticContact CE1-CD2 3.35Å; F468-F506 HydrophobicContact CE1-CD2 3.35Å; F468-F506 HydrophobicContact CE1-CE2 4.09Å; F468-F506 AromaticContact CE1-CG 3.77Å; F468-F506 HydrophobicContact CE1-CG 3.77Å; F468-F506 HydrophobicContact CE2-CB 4.04Å; F468-F506 HydrophobicContact CE2-CD1 4.49Å; F468-F506 HydrophobicContact CE2-CD2 4.42Å; F468-F506 HydrophobicContact CE2-CG 4.09Å; F468-F506 HydrophobicContact CG-CB 4.43Å; F468-F506 HydrophobicContact CZ-CB 3.78Å; F468-F506 HydrophobicContact CZ-CD1 4.06Å; F468-F506 AromaticContact CZ-CD2 3.39Å; F468-F506 HydrophobicContact CZ-CD2 3.39Å; F468-F506 AromaticContact CZ-CE2 3.96Å; F468-F506 HydrophobicContact CZ-CE2 3.96Å; F468-F506 AromaticContact CZ-CG 3.47Å; F468-F506 HydrophobicContact CZ-CG 3.47Å; F468-F506 VanDerWaalsContact CZ-CG 3.47Å; A502-F506 WeakPolarHBondContact O-CD2 3.44Å; A502-F506 PolarHBondContact O-N 2.95Å; A502-F506 VanDerWaalsContact O-N 3.1Å; A503-F506 PolarHBondContact O-N 3Å |
| 507 | G | 87.1 | Confident | 87.1 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | 8.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A503 R504 N505 M523 | A503-G507 PolarHBondContact O-N 3.12Å; R504-G507 PolarHBondContact O-N 3.48Å; R504-G507 VanDerWaalsContact O-N 3.11Å; N505-G507 PolarHBondContact O-N 2.97Å; G507-M523 PolarHBondContact O-N 2.98Å |
| 508 | F | 91.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.013 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 86.2 | 173.8 | -67.1 | -96.5 | 0 | 0 | 0 | 109.7 | Q465 F468 R469 A472 A503 R504 E522 | Q465-F508 HydrophobicContact CB-CZ 4.19Å; Q465-F508 HydrophobicContact CG-CZ 4.19Å; F468-F508 HydrophobicContact CB-CB 4.4Å; F468-F508 HydrophobicContact CB-CD1 4.39Å; F468-F508 HydrophobicContact CB-CD2 3.34Å; F468-F508 HydrophobicContact CB-CE2 3.56Å; F468-F508 HydrophobicContact CB-CG 3.8Å; F468-F508 HydrophobicContact CB-CZ 4.18Å; F468-F508 HydrophobicContact CD2-CD2 4.5Å; F468-F508 HydrophobicContact CD2-CE2 4.28Å; F468-F508 HydrophobicContact CG-CD2 4.05Å; F468-F508 HydrophobicContact CG-CE2 4.23Å; R469-F508 HydrophobicContact CG-CD1 4.03Å; R469-F508 HydrophobicContact CG-CE1 3.73Å; A472-F508 HydrophobicContact CB-CB 4.23Å; A503-F508 CarbonylContact C-O 3.59Å; A503-F508 VanDerWaalsContact C-O 3.23Å; A503-F508 HydrophobicContact CB-CB 4.34Å; A503-F508 CarbonylContact O-C 3.54Å; A503-F508 WeakPolarHBondContact O-CA 3.46Å; A503-F508 PolarHBondContact O-N 3.27Å; R504-F508 WeakPolarHBondContact CA-O 3.29Å; R504-F508 PolarHBondContact N-O 3.09Å; F508-E522 HydrophobicContact CD1-CB 4.42Å; F508-E522 HydrophobicContact CD1-CG 3.99Å; F508-E522 HydrophobicContact CE1-CB 4.39Å; F508-E522 HydrophobicContact CE1-CG 4.14Å |
| 509 | I | 91.2 | Very high | 87.1 | Confident | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.3 | -169.1 | -52 | 158.2 | 0 | 0 | 0 | 109.8 | L441 L487 R504 R511 L520 C521 | L441-I509 HydrophobicContact CB-CD1 3.98Å; L441-I509 HydrophobicContact CD1-CD1 4.01Å; L441-I509 HydrophobicContact CD1-CG2 4.4Å; L487-I509 HydrophobicContact CD2-CG2 3.83Å; R504-I509 HydrophobicContact CG-CG1 4.24Å; R504-I509 HydrophobicContact CG-CG2 4.37Å; I509-R511 HydrophobicContact CG2-CG 4.42Å; I509-R511 PolarHBondContact O-N 2.86Å; I509-L520 CarbonylContact O-C 3.56Å; I509-L520 WeakPolarHBondContact O-CA 3.31Å; I509-C521 HydrophobicContact CB-CB 4.17Å; I509-C521 PolarHBondContact N-O 2.72Å; I509-C521 PolarHBondContact O-N 3.2Å |
| 510 | F | 90.8 | Very high | 87 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 114.8 | 172.3 | 169 | -121.4 | 0 | 0 | 0 | 110.4 | H475 V477 P479 Y489 V500 A512 R513 I518 L520 | H475-F510 AromaticContact CE1-CD1 3.61Å; H475-F510 AromaticContact CE1-CE1 3.57Å; H475-F510 AromaticContact CE1-CG 3.91Å; H475-F510 AromaticContact CE1-CZ 3.86Å; H475-F510 AromaticContact NE2-CG 3.99Å; V477-F510 WeakPolarHBondContact O-CE1 3.5Å; V477-F510 WeakPolarHBondContact O-CZ 3.27Å; P479-F510 HydrophobicContact CB-CD1 4.13Å; P479-F510 HydrophobicContact CB-CE1 3.89Å; P479-F510 HydrophobicContact CG-CD1 4.13Å; P479-F510 HydrophobicContact CG-CE1 3.5Å; P479-F510 HydrophobicContact CG-CE2 4.38Å; P479-F510 HydrophobicContact CG-CZ 3.66Å; Y489-F510 HydrophobicContact CD1-CD1 4.15Å; Y489-F510 HydrophobicContact CE1-CB 4.14Å; Y489-F510 AromaticContact CE1-CD1 3.72Å; Y489-F510 HydrophobicContact CE1-CD1 3.72Å; Y489-F510 HydrophobicContact CE1-CG 4.39Å; Y489-F510 VanDerWaalsContact CE1-O 3.31Å; Y489-F510 WeakPolarHBondContact CE1-O 3.4Å; Y489-F510 PolarHBondContact OH-N 3.09Å; Y489-F510 VanDerWaalsContact OH-N 3.13Å; Y489-F510 PolarHBondContact OH-O 3.04Å; V500-F510 HydrophobicContact CG1-CB 4.24Å; V500-F510 HydrophobicContact CG1-CD1 4.39Å; F510-A512 WeakPolarHBondContact CE2-O 3.32Å; F510-R513 HydrophobicContact CE2-CB 3.96Å; F510-R513 HydrophobicContact CZ-CB 3.83Å; F510-I518 HydrophobicContact CD2-CG2 3.91Å; F510-I518 HydrophobicContact CE2-CG2 3.82Å; F510-L520 HydrophobicContact CB-CD2 3.88Å; F510-L520 HydrophobicContact CD2-CD2 4.01Å; F510-L520 HydrophobicContact CG-CD2 4.43Å |
| 511 | R | 86.4 | Confident | 86.9 | Confident | 133 Ų | 133 | 27.8 Ų | 27.8 | 50% | 0.502 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -47.9 | -174.1 | -82.8 | -165.1 | 169.7 | -144.5 | -0.2 | 113.9 | P479 I509 T519 | P479-R511 WeakPolarHBondContact CB-O 3.35Å; P479-R511 WeakPolarHBondContact CG-O 3.46Å; I509-R511 HydrophobicContact CG2-CG 4.42Å; I509-R511 PolarHBondContact O-N 2.86Å; R511-T519 PolarHBondContact N-O 3.24Å |
| 512 | A | 83.9 | Confident | 86.7 | Confident | 43 Ų | 43 | 28.1 Ų | 28.1 | 36% | 0.355 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 153.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F510 T519 | F510-A512 WeakPolarHBondContact CE2-O 3.32Å; A512-T519 PolarHBondContact N-O 3.28Å; A512-T519 PolarHBondContact O-N 2.76Å |
| 513 | R | 80.7 | Confident | 86.4 | Confident | 19 Ų | 19 | 32 Ų | 32 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143.6 | 172.1 | -171.7 | 176.3 | -76.3 | -164.8 | -10.5 | 108.2 | H475 F510 T517 I518 M1146 | H475-R513 PolarHBondContact CE1-NH2 3.29Å; H475-R513 PolarHBondContact ND1-NH2 3.02Å; H475-R513 VanDerWaalsContact O-CZ 3.26Å; H475-R513 PolarHBondContact O-NH1 3.14Å; H475-R513 PolarHBondContact O-NH2 3.3Å; F510-R513 HydrophobicContact CE2-CB 3.96Å; F510-R513 HydrophobicContact CZ-CB 3.83Å; R513-T517 CarbonylContact C-O 3.46Å; R513-T517 WeakPolarHBondContact CA-O 3.48Å; R513-I518 HydrophobicContact CG-CG1 4.16Å; R513-M1146 HydrophobicContact CB-CE 3.74Å; R513-M1146 HydrophobicContact CG-CE 3.72Å; R513-M1146 WeakPolarHBondContact O-CE 3.49Å |
| 514 | T | 77.7 | Confident | 85.8 | Confident | 58 Ų | 58 | 35.1 Ų | 35.1 | 36% | 0.356 | 20% | 0.198 | S | C | . | . | trans | -120.8 | 173.8 | 163.3 | 74.6 | 0 | 0 | 0 | 0 | 108.1 | E516 T517 M1146 | T514-E516 PolarHBondContact O-N 3.48Å; T514-T517 PolarHBondContact N-O 2.73Å; T514-T517 PolarHBondContact OG1-N 3.36Å; T514-T517 PolarHBondContact OG1-O 3Å; T514-T517 PolarHBondContact OG1-OG1 3.02Å; T514-M1146 WeakPolarHBondContact CA-SD 3.4Å | ||
| 515 | P | 73.1 | Confident | 85.6 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 28% | 0.279 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -63.4 | -27.1 | -178.8 | -19.2 | 33.5 | 0 | 0 | 0 | 112.2 | M1146 | P515-M1146 HydrophobicContact CB-SD 4.5Å; P515-M1146 WeakPolarHBondContact CD-SD 3.35Å; P515-M1146 HydrophobicContact CG-SD 3.67Å |
| 516 | E | 76.8 | Confident | 85.5 | Confident | 145 Ų | 145 | 48.3 Ų | 48.3 | 68% | 0.678 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -111.3 | -12 | -174.8 | -62.4 | 177 | 179.6 | 0 | 0 | 113.1 | T514 E530 L531 | T514-E516 PolarHBondContact O-N 3.48Å; E516-E530 CarbonylContact O-C 3.58Å; E516-E530 WeakPolarHBondContact O-CA 3.36Å; E516-L531 PolarHBondContact O-N 3.17Å |
| 517 | T | 86.2 | Confident | 85.5 | Confident | 39 Ų | 39 | 49 Ų | 49 | 24% | 0.239 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 148 | -176.1 | 68 | 0 | 0 | 0 | 0 | 114.5 | R513 T514 T528 Y529 | R513-T517 CarbonylContact C-O 3.46Å; R513-T517 WeakPolarHBondContact CA-O 3.48Å; T514-T517 PolarHBondContact N-O 2.73Å; T514-T517 PolarHBondContact OG1-N 3.36Å; T514-T517 PolarHBondContact OG1-O 3Å; T514-T517 PolarHBondContact OG1-OG1 3.02Å; T517-T528 HydrophobicContact CG2-CG2 4.26Å; T517-Y529 CarbonylContact C-O 3.13Å; T517-Y529 WeakPolarHBondContact CA-O 3.05Å; T517-Y529 WeakPolarHBondContact CB-O 3.24Å |
| 518 | I | 88.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.8 | 172.3 | -60.2 | 175.4 | 0 | 0 | 0 | 108.1 | L473 F510 R513 L520 Y529 L531 | L473-I518 HydrophobicContact CD2-CB 4.29Å; L473-I518 HydrophobicContact CD2-CD1 4.37Å; L473-I518 HydrophobicContact CD2-CG2 3.9Å; F510-I518 HydrophobicContact CD2-CG2 3.91Å; F510-I518 HydrophobicContact CE2-CG2 3.82Å; R513-I518 HydrophobicContact CG-CG1 4.16Å; I518-L520 HydrophobicContact CG2-CD2 4.18Å; I518-L520 HydrophobicContact CG2-CG 4.38Å; I518-Y529 PolarHBondContact N-O 3.25Å; I518-Y529 PolarHBondContact O-N 3.07Å; I518-L531 HydrophobicContact CD1-CD1 4.06Å; I518-L531 HydrophobicContact CG1-CB 4.36Å |
| 519 | T | 88.8 | Confident | 85.6 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 116.1 | 178 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | R511 A512 | R511-T519 PolarHBondContact N-O 3.24Å; A512-T519 PolarHBondContact N-O 3.28Å; A512-T519 PolarHBondContact O-N 2.76Å |
| 520 | L | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 153.4 | 174.7 | -63.4 | -172.2 | 0 | 0 | 0 | 111 | A472 L473 I509 F510 I518 A526 A527 Y529 | A472-L520 HydrophobicContact CB-CD1 4.01Å; A472-L520 HydrophobicContact CB-CD2 4.03Å; L473-L520 HydrophobicContact CD1-CD1 4.36Å; L473-L520 HydrophobicContact CD2-CD1 3.51Å; L473-L520 HydrophobicContact CD2-CG 4.03Å; L473-L520 HydrophobicContact CG-CD1 3.75Å; I509-L520 CarbonylContact O-C 3.56Å; I509-L520 WeakPolarHBondContact O-CA 3.31Å; F510-L520 HydrophobicContact CB-CD2 3.88Å; F510-L520 HydrophobicContact CD2-CD2 4.01Å; F510-L520 HydrophobicContact CG-CD2 4.43Å; I518-L520 HydrophobicContact CG2-CD2 4.18Å; I518-L520 HydrophobicContact CG2-CG 4.38Å; L520-A526 CarbonylContact O-C 3.54Å; L520-A526 WeakPolarHBondContact O-CA 2.9Å; L520-A527 PolarHBondContact N-O 2.67Å; L520-A527 PolarHBondContact O-N 3.35Å; L520-Y529 HydrophobicContact CB-CE2 4.35Å; L520-Y529 HydrophobicContact CD1-CD2 4.19Å; L520-Y529 HydrophobicContact CD1-CE2 3.88Å; L520-Y529 HydrophobicContact CG-CD2 4.27Å; L520-Y529 HydrophobicContact CG-CE2 4.27Å |
| 521 | C | 88.9 | Confident | 85.5 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 9% | 0.088 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 101.6 | 165.8 | -173.2 | 0 | 0 | 0 | 0 | 108.1 | I509 G524 R525 | I509-C521 HydrophobicContact CB-CB 4.17Å; I509-C521 PolarHBondContact N-O 2.72Å; I509-C521 PolarHBondContact O-N 3.2Å; C521-G524 VanDerWaalsContact SG-CA 3.57Å; C521-R525 CarbonylContact C-O 3.56Å; C521-R525 VanDerWaalsContact CA-O 3.31Å; C521-R525 WeakPolarHBondContact CA-O 3.38Å |
| 522 | E | 87.8 | Confident | 85.6 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 15% | 0.145 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 111.9 | 178.9 | -57.5 | -165 | 159.4 | 0 | 0 | 109.9 | R469 F508 G524 R525 A527 Y529 | R469-E522 WeakPolarHBondContact CD-OE1 3.47Å; R469-E522 WeakPolarHBondContact CG-OE1 3.43Å; R469-E522 IonicContact CZ-OE1 2.67Å; R469-E522 IonicContact CZ-OE2 2.73Å; R469-E522 IonicContact NE-OE1 2.72Å; R469-E522 PolarHBondContact NE-OE1 3.09Å; R469-E522 IonicContact NE-OE2 2.76Å; R469-E522 PolarHBondContact NE-OE2 3.45Å; R469-E522 IonicContact NH2-OE1 3.2Å; R469-E522 IonicContact NH2-OE2 3Å; R469-E522 PolarHBondContact NH2-OE2 3.23Å; F508-E522 HydrophobicContact CD1-CB 4.42Å; F508-E522 HydrophobicContact CD1-CG 3.99Å; F508-E522 HydrophobicContact CE1-CB 4.39Å; F508-E522 HydrophobicContact CE1-CG 4.14Å; E522-G524 PolarHBondContact O-N 3.06Å; E522-R525 PolarHBondContact N-O 3.18Å; E522-R525 WeakPolarHBondContact O-CB 3.45Å; E522-R525 PolarHBondContact O-N 2.92Å; E522-A527 HydrophobicContact CG-CB 4.48Å; E522-Y529 PolarHBondContact OE1-OH 2.81Å |
| 523 | M | 83.1 | Confident | 85.7 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 40% | 0.404 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 36.1 | 177.3 | -60.5 | -63.3 | -74.5 | 0 | 0 | 113.3 | F438 V457 G507 | F438-M523 HydrophobicContact CE2-CE 4.44Å; V457-M523 HydrophobicContact CG1-CE 4.46Å; V457-M523 HydrophobicContact CG1-SD 4.13Å; G507-M523 PolarHBondContact O-N 2.98Å |
| 524 | G | 80.4 | Confident | 86.1 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 68% | 0.68 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -3.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | C521 E522 | C521-G524 VanDerWaalsContact SG-CA 3.57Å; E522-G524 PolarHBondContact O-N 3.06Å |
| 525 | R | 86.7 | Confident | 86.6 | Confident | 207 Ų | 207 | 47.1 Ų | 47.1 | 78% | 0.781 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.6 | 177 | -62.1 | -178.4 | -179.4 | 178.1 | 0.8 | 111.1 | C521 E522 A527 | C521-R525 CarbonylContact C-O 3.56Å; C521-R525 VanDerWaalsContact CA-O 3.31Å; C521-R525 WeakPolarHBondContact CA-O 3.38Å; E522-R525 PolarHBondContact N-O 3.18Å; E522-R525 WeakPolarHBondContact O-CB 3.45Å; E522-R525 PolarHBondContact O-N 2.92Å; R525-A527 PolarHBondContact O-N 3.4Å |
| 526 | A | 86.3 | Confident | 87.1 | Confident | 84 Ų | 84 | 46.5 Ų | 46.5 | 69% | 0.694 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L520 | L520-A526 CarbonylContact O-C 3.54Å; L520-A526 WeakPolarHBondContact O-CA 2.9Å |
| 527 | A | 89.2 | Confident | 87.4 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L520 E522 R525 Y529 P551 | L520-A527 PolarHBondContact N-O 2.67Å; L520-A527 PolarHBondContact O-N 3.35Å; E522-A527 HydrophobicContact CG-CB 4.48Å; R525-A527 PolarHBondContact O-N 3.4Å; A527-Y529 HydrophobicContact CB-CE2 3.87Å; A527-P551 HydrophobicContact CB-CG 4.23Å |
| 528 | T | 89.8 | Confident | 86.8 | Confident | 72 Ų | 72 | 39.9 Ų | 39.9 | 44% | 0.442 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.2 | 179.7 | -53.5 | 0 | 0 | 0 | 0 | 109.5 | T517 P551 | T517-T528 HydrophobicContact CG2-CG2 4.26Å; T528-P551 WeakPolarHBondContact O-CG 3.24Å |
| 529 | Y | 91.3 | Very high | 85.9 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 139 | 177.9 | -68.7 | -102.3 | 0 | 0 | 0 | 109.3 | L473 T517 I518 L520 E522 A527 V548 R549 N550 | L473-Y529 HydrophobicContact CD1-CD1 3.92Å; L473-Y529 HydrophobicContact CD1-CE1 3.85Å; L473-Y529 HydrophobicContact CD1-CG 4.35Å; L473-Y529 HydrophobicContact CD2-CD1 4.27Å; L473-Y529 HydrophobicContact CD2-CD2 3.98Å; L473-Y529 HydrophobicContact CD2-CG 3.88Å; T517-Y529 CarbonylContact C-O 3.13Å; T517-Y529 WeakPolarHBondContact CA-O 3.05Å; T517-Y529 WeakPolarHBondContact CB-O 3.24Å; I518-Y529 PolarHBondContact N-O 3.25Å; I518-Y529 PolarHBondContact O-N 3.07Å; L520-Y529 HydrophobicContact CB-CE2 4.35Å; L520-Y529 HydrophobicContact CD1-CD2 4.19Å; L520-Y529 HydrophobicContact CD1-CE2 3.88Å; L520-Y529 HydrophobicContact CG-CD2 4.27Å; L520-Y529 HydrophobicContact CG-CE2 4.27Å; E522-Y529 PolarHBondContact OE1-OH 2.81Å; A527-Y529 HydrophobicContact CB-CE2 3.87Å; Y529-V548 HydrophobicContact CD1-CB 4.49Å; Y529-R549 WeakPolarHBondContact CA-O 3.33Å; Y529-N550 HydrophobicContact CD1-CB 4.48Å; Y529-N550 WeakPolarHBondContact CD1-OD1 3.21Å; Y529-N550 HydrophobicContact CE1-CB 4.19Å; Y529-N550 WeakPolarHBondContact CE1-OD1 3.29Å |
| 530 | E | 90.4 | Very high | 85.3 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.7 | 171.4 | -156.5 | -177 | 162.5 | 0 | 0 | 108.4 | E516 L532 V548 R549 | E516-E530 CarbonylContact O-C 3.58Å; E516-E530 WeakPolarHBondContact O-CA 3.36Å; E530-L532 HydrophobicContact CG-CD2 4.41Å; E530-V548 CarbonylContact O-C 3.54Å; E530-V548 WeakPolarHBondContact O-CA 3.44Å; E530-R549 HydrophobicContact CB-CB 3.85Å; E530-R549 PolarHBondContact N-O 3.33Å; E530-R549 PolarHBondContact O-N 3.49Å; E530-R549 IonicContact OE1-NH1 3.3Å; E530-R549 WeakPolarHBondContact OE2-CD 3.39Å; E530-R549 IonicContact OE2-CZ 2.63Å; E530-R549 IonicContact OE2-NE 3.89Å; E530-R549 IonicContact OE2-NH1 2.9Å; E530-R549 PolarHBondContact OE2-NH1 3.14Å |
| 531 | L | 88.6 | Confident | 85 | Confident | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 111.5 | 177 | 179 | 63.1 | 0 | 0 | 0 | 109 | E516 I518 I534 V546 V548 I1140 | E516-L531 PolarHBondContact O-N 3.17Å; I518-L531 HydrophobicContact CD1-CD1 4.06Å; I518-L531 HydrophobicContact CG1-CB 4.36Å; L531-I534 HydrophobicContact CD1-CD1 4.36Å; L531-I534 HydrophobicContact CD1-CG1 3.85Å; L531-I534 HydrophobicContact CD2-CD1 3.82Å; L531-I534 HydrophobicContact CD2-CG1 4.09Å; L531-I534 HydrophobicContact CG-CG1 4.35Å; L531-V546 HydrophobicContact CD1-CG1 3.57Å; L531-V548 HydrophobicContact CD1-CG1 4.31Å; L531-I1140 HydrophobicContact CD2-CG2 4.28Å |
| 532 | L | 88.9 | Confident | 84.8 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -41.9 | -173.7 | -71.4 | -179.5 | 0 | 0 | 0 | 112.6 | E530 I547 R549 I555 Y608 | E530-L532 HydrophobicContact CG-CD2 4.41Å; L532-I547 HydrophobicContact CB-CB 4.23Å; L532-I547 HydrophobicContact CB-CG2 3.96Å; L532-I547 WeakPolarHBondContact CB-O 3.15Å; L532-I547 HydrophobicContact CD1-CG2 4.01Å; L532-I547 PolarHBondContact N-O 2.88Å; L532-R549 HydrophobicContact CD1-CB 4.19Å; L532-I555 HydrophobicContact CD1-CD1 3.91Å; L532-I555 HydrophobicContact CD1-CG1 4.06Å; L532-I555 HydrophobicContact CD1-CG2 4.02Å; L532-Y608 HydrophobicContact CB-CE1 4.49Å; L532-Y608 HydrophobicContact CB-CE2 4.13Å; L532-Y608 WeakPolarHBondContact CB-OH 3.31Å; L532-Y608 HydrophobicContact CD1-CD1 4.31Å; L532-Y608 HydrophobicContact CD1-CE1 3.91Å; L532-Y608 HydrophobicContact CD1-CE2 4.21Å; L532-Y608 HydrophobicContact CD2-CE1 4.2Å; L532-Y608 HydrophobicContact CG-CE1 4.43Å; L532-Y608 PolarHBondContact O-OH 3.16Å |
| 533 | A | 87 | Confident | 84.9 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 7% | 0.066 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 146.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I547 W611 | A533-I547 HydrophobicContact CB-CB 4.33Å; A533-I547 HydrophobicContact CB-CD1 4.21Å; A533-I547 HydrophobicContact CB-CG1 4.46Å; A533-I547 PolarHBondContact N-O 3.46Å; A533-I547 PolarHBondContact O-N 3.08Å; A533-W611 HydrophobicContact CB-CH2 4.22Å; A533-W611 HydrophobicContact CB-CZ3 4.16Å |
| 534 | I | 87.7 | Confident | 85.3 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123 | 167.6 | -60.7 | 178.8 | 0 | 0 | 0 | 107.8 | L531 M544 V546 I1140 T1141 | L531-I534 HydrophobicContact CD1-CD1 4.36Å; L531-I534 HydrophobicContact CD1-CG1 3.85Å; L531-I534 HydrophobicContact CD2-CD1 3.82Å; L531-I534 HydrophobicContact CD2-CG1 4.09Å; L531-I534 HydrophobicContact CG-CG1 4.35Å; I534-M544 HydrophobicContact CG2-CE 3.84Å; I534-V546 HydrophobicContact CG1-CG2 4.34Å; I534-V546 HydrophobicContact CG2-CG2 4.41Å; I534-I1140 HydrophobicContact CD1-CB 4.19Å; I534-I1140 HydrophobicContact CD1-CD1 4.39Å; I534-I1140 HydrophobicContact CD1-CG2 3.81Å; I534-T1141 HydrophobicContact CB-CG2 4.34Å; I534-T1141 HydrophobicContact CD1-CG2 4.46Å; I534-T1141 HydrophobicContact CG1-CG2 4.29Å |
| 535 | L | 89.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 96 | 171.5 | -61.6 | 85.7 | 0 | 0 | 0 | 107.2 | S545 I547 Y633 V636 | L535-S545 PolarHBondContact N-O 3.06Å; L535-S545 PolarHBondContact O-N 3.37Å; L535-S545 VanDerWaalsContact O-N 3.08Å; L535-I547 HydrophobicContact CD1-CD1 4.24Å; L535-I547 HydrophobicContact CD1-CG1 4.19Å; L535-Y633 HydrophobicContact CD2-CD1 3.4Å; L535-Y633 HydrophobicContact CD2-CD2 4.2Å; L535-Y633 HydrophobicContact CD2-CE1 4.04Å; L535-Y633 HydrophobicContact CD2-CG 3.49Å; L535-Y633 VanDerWaalsContact CD2-CG 3.49Å; L535-Y633 HydrophobicContact CG-CD1 3.93Å; L535-Y633 HydrophobicContact CG-CE1 4.05Å; L535-Y633 HydrophobicContact CG-CG 4.19Å; L535-V636 HydrophobicContact CD2-CG1 4.06Å |
| 536 | D | 82.8 | Confident | 86.2 | Confident | 30 Ų | 30 | 33.4 Ų | 33.4 | 16% | 0.16 | 19% | 0.192 | C | C | . | . | trans | -59.3 | 151.5 | -173.8 | -82.1 | -36.9 | 0 | 0 | 0 | 113.5 | R541 G1137 E1138 | D536-R541 PolarHBondContact O-NH1 3.35Å; D536-G1137 VanDerWaalsContact CG-CA 3.43Å; D536-G1137 VanDerWaalsContact CG-N 3.25Å; D536-G1137 WeakPolarHBondContact OD1-CA 3.3Å; D536-G1137 PolarHBondContact OD1-N 3.49Å; D536-G1137 WeakPolarHBondContact OD2-CA 3.16Å; D536-G1137 PolarHBondContact OD2-N 3.02Å; D536-E1138 PolarHBondContact OD2-N 2.94Å | ||
| 537 | F | 82.3 | Confident | 86.5 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | trans | -64.3 | 134.7 | 170.6 | 179.2 | -91.4 | 0 | 0 | 0 | 110.9 | R543 M544 Y1128 F1130 H1132 | F537-R543 WeakPolarHBondContact CA-O 3.19Å; F537-M544 HydrophobicContact CB-CB 4.19Å; F537-Y1128 WeakPolarHBondContact CE2-OH 3.43Å; F537-F1130 HydrophobicContact CD1-CD1 4.45Å; F537-F1130 AromaticContact CD2-CD1 3.61Å; F537-F1130 HydrophobicContact CD2-CD1 3.61Å; F537-F1130 AromaticContact CD2-CE1 3.79Å; F537-F1130 HydrophobicContact CD2-CE1 3.79Å; F537-F1130 HydrophobicContact CE1-CD1 4.33Å; F537-F1130 HydrophobicContact CE2-CB 4.48Å; F537-F1130 AromaticContact CE2-CD1 3.45Å; F537-F1130 HydrophobicContact CE2-CD1 3.45Å; F537-F1130 VanDerWaalsContact CE2-CD1 3.45Å; F537-F1130 HydrophobicContact CE2-CE1 4.13Å; F537-F1130 HydrophobicContact CE2-CG 4.4Å; F537-F1130 HydrophobicContact CG-CD1 4.12Å; F537-F1130 HydrophobicContact CG-CE1 4.09Å; F537-F1130 AromaticContact CZ-CD1 3.84Å; F537-F1130 HydrophobicContact CZ-CD1 3.84Å; F537-H1132 VanDerWaalsContact CB-CD2 3.47Å; F537-H1132 WeakPolarHBondContact CB-CD2 3.42Å; F537-H1132 HydrophobicContact CD1-CB 3.79Å; F537-H1132 AromaticContact CD1-CD2 3.79Å; F537-H1132 HydrophobicContact CE1-CB 4.19Å; F537-H1132 WeakPolarHBondContact CE1-O 3.02Å; F537-H1132 HydrophobicContact CG-CB 4.09Å; F537-H1132 AromaticContact CG-CD2 3.89Å | ||
| 538 | N | 74.1 | Confident | 86.7 | Confident | 41 Ų | 41 | 28.6 Ų | 28.6 | 22% | 0.219 | 15% | 0.152 | C | C | . | . | trans | -130.7 | 142.7 | 171.1 | -173.9 | -25.2 | 0 | 0 | 0 | 108.8 | V540 R541 K542 | N538-V540 PolarHBondContact O-N 3.05Å; N538-V540 VanDerWaalsContact O-N 3.17Å; N538-V540 PolarHBondContact OD1-N 3.38Å; N538-R541 HydrophobicContact CB-CB 4.24Å; N538-R541 HydrophobicContact CB-CG 4.2Å; N538-R541 PolarHBondContact O-N 2.9Å; N538-K542 PolarHBondContact O-N 2.98Å | ||
| 539 | N | 70.6 | Confident | 86.8 | Confident | 76 Ų | 76 | 28 Ų | 28 | 41% | 0.406 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -28.5 | 175.3 | -74.1 | -43.4 | 0 | 0 | 0 | 113.1 | K542 K677 | N539-K542 WeakPolarHBondContact O-CG 3.38Å; N539-K677 PolarHBondContact OD1-NZ 3.17Å |
| 540 | V | 76.2 | Confident | 86.7 | Confident | 127 Ų | 127 | 28.3 Ų | 28.3 | 77% | 0.77 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -44.6 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 111 | N538 | N538-V540 PolarHBondContact O-N 3.05Å; N538-V540 VanDerWaalsContact O-N 3.17Å; N538-V540 PolarHBondContact OD1-N 3.38Å |
| 541 | R | 82.9 | Confident | 86.4 | Confident | 21 Ų | 21 | 28.4 Ų | 28.4 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -28 | -176.6 | -65 | 178.3 | 65.3 | -142.2 | -0.3 | 113.8 | D536 N538 R543 E637 | D536-R541 PolarHBondContact O-NH1 3.35Å; N538-R541 HydrophobicContact CB-CB 4.24Å; N538-R541 HydrophobicContact CB-CG 4.2Å; N538-R541 PolarHBondContact O-N 2.9Å; R541-R543 HydrophobicContact CB-CG 4.35Å; R541-R543 PolarHBondContact O-N 3.3Å; R541-R543 VanDerWaalsContact O-N 3.1Å; R541-R543 PolarHBondContact O-NH1 3.4Å; R541-E637 IonicContact CZ-OE1 3.77Å; R541-E637 IonicContact CZ-OE2 3.46Å; R541-E637 IonicContact NH2-OE1 2.81Å; R541-E637 PolarHBondContact NH2-OE1 3.31Å; R541-E637 IonicContact NH2-OE2 3.81Å; R541-E637 PolarHBondContact NH2-OE2 3.24Å |
| 542 | K | 86 | Confident | 86.2 | Confident | 66 Ų | 66 | 35.3 Ų | 35.3 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | trans | 50.1 | 29.7 | -176.9 | -60.4 | -172.3 | 175.9 | -164.4 | 0 | 114.9 | N538 N539 G561 A562 I565 E679 Y1128 | N538-K542 PolarHBondContact O-N 2.98Å; N539-K542 WeakPolarHBondContact O-CG 3.38Å; K542-G561 WeakPolarHBondContact O-CA 3.43Å; K542-A562 HydrophobicContact CB-CB 4.19Å; K542-A562 PolarHBondContact O-N 3.26Å; K542-I565 HydrophobicContact CB-CG1 4.21Å; K542-E679 IonicContact NZ-OE1 2.78Å; K542-E679 PolarHBondContact NZ-OE1 3.37Å; K542-Y1128 HydrophobicContact CB-CE1 4.12Å; K542-Y1128 HydrophobicContact CD-CD1 4.47Å; K542-Y1128 HydrophobicContact CD-CE1 3.94Å; K542-Y1128 HydrophobicContact CG-CE1 4.29Å; K542-Y1128 PolarHBondContact O-OH 2.94Å | ||
| 543 | R | 90 | Very high | 85.9 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 157.9 | 179.1 | 68.1 | -165.5 | -179.2 | -106.5 | 11.2 | 111.1 | F537 R541 K560 I566 E634 E637 | F537-R543 WeakPolarHBondContact CA-O 3.19Å; R541-R543 HydrophobicContact CB-CG 4.35Å; R541-R543 PolarHBondContact O-N 3.3Å; R541-R543 VanDerWaalsContact O-N 3.1Å; R541-R543 PolarHBondContact O-NH1 3.4Å; R543-K560 CarbonylContact C-O 3.57Å; R543-K560 WeakPolarHBondContact CA-O 3.48Å; R543-I566 HydrophobicContact CB-CD1 4.4Å; R543-E634 IonicContact CZ-OE1 3.19Å; R543-E634 IonicContact NH1-OE1 2.74Å; R543-E634 IonicContact NH2-OE1 2.77Å; R543-E634 PolarHBondContact NH2-OE1 2.91Å; R543-E637 IonicContact CZ-OE2 2.72Å; R543-E637 VanDerWaalsContact CZ-OE2 3.22Å; R543-E637 IonicContact NE-OE2 2.76Å; R543-E637 PolarHBondContact NE-OE2 3.38Å; R543-E637 IonicContact NH2-OE2 3.25Å; R543-E637 PolarHBondContact NH2-OE2 2.8Å |
| 544 | M | 90.7 | Very high | 86 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.8 | 175.1 | -175.2 | -169.8 | -176.5 | 0 | 0 | 108.9 | T476 E496 I534 F537 V546 C559 K560 | T476-M544 HydrophobicContact CG2-CE 3.46Å; T476-M544 VanDerWaalsContact CG2-CE 3.46Å; E496-M544 VanDerWaalsContact OE1-SD 3.4Å; I534-M544 HydrophobicContact CG2-CE 3.84Å; F537-M544 HydrophobicContact CB-CB 4.19Å; M544-V546 HydrophobicContact CE-CG2 4.24Å; M544-C559 WeakPolarHBondContact O-CA 3.28Å; M544-K560 HydrophobicContact CB-CG 4.27Å; M544-K560 PolarHBondContact N-O 2.94Å; M544-K560 PolarHBondContact O-N 3.13Å |
| 545 | S | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.2 | 178.8 | -49.2 | 0 | 0 | 0 | 0 | 111.8 | L535 Y558 C559 E637 | L535-S545 PolarHBondContact N-O 3.06Å; L535-S545 PolarHBondContact O-N 3.37Å; L535-S545 VanDerWaalsContact O-N 3.08Å; S545-Y558 CarbonylContact C-O 3.55Å; S545-Y558 WeakPolarHBondContact CA-O 3.41Å; S545-C559 PolarHBondContact OG-SG 3.16Å; S545-E637 VanDerWaalsContact CB-OE1 3.31Å; S545-E637 WeakPolarHBondContact CB-OE1 3.37Å; S545-E637 PolarHBondContact OG-OE1 3.04Å |
| 546 | V | 92.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 133.4 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 109 | C474 L531 I534 M544 V548 Y558 | C474-V546 HydrophobicContact CB-CB 4.42Å; C474-V546 HydrophobicContact CB-CG2 4.32Å; L531-V546 HydrophobicContact CD1-CG1 3.57Å; I534-V546 HydrophobicContact CG1-CG2 4.34Å; I534-V546 HydrophobicContact CG2-CG2 4.41Å; M544-V546 HydrophobicContact CE-CG2 4.24Å; V546-V548 HydrophobicContact CG1-CG1 3.85Å; V546-Y558 PolarHBondContact N-O 3.45Å; V546-Y558 PolarHBondContact O-N 3.42Å |
| 547 | I | 93.4 | Very high | 87 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.4 | 174.1 | -56.3 | 176.2 | 0 | 0 | 0 | 108.1 | L532 A533 L535 I555 L557 L603 Y608 W611 V636 | L532-I547 HydrophobicContact CB-CB 4.23Å; L532-I547 HydrophobicContact CB-CG2 3.96Å; L532-I547 WeakPolarHBondContact CB-O 3.15Å; L532-I547 HydrophobicContact CD1-CG2 4.01Å; L532-I547 PolarHBondContact N-O 2.88Å; A533-I547 HydrophobicContact CB-CB 4.33Å; A533-I547 HydrophobicContact CB-CD1 4.21Å; A533-I547 HydrophobicContact CB-CG1 4.46Å; A533-I547 PolarHBondContact N-O 3.46Å; A533-I547 PolarHBondContact O-N 3.08Å; L535-I547 HydrophobicContact CD1-CD1 4.24Å; L535-I547 HydrophobicContact CD1-CG1 4.19Å; I547-I555 HydrophobicContact CG2-CG2 3.65Å; I547-L557 HydrophobicContact CD1-CD1 4.12Å; I547-L557 HydrophobicContact CG1-CD1 3.42Å; I547-L557 VanDerWaalsContact CG1-CD1 3.42Å; I547-L603 HydrophobicContact CD1-CD1 4.4Å; I547-L603 HydrophobicContact CG2-CD1 4.3Å; I547-Y608 HydrophobicContact CD1-CD2 4.44Å; I547-Y608 HydrophobicContact CD1-CE2 4.17Å; I547-Y608 HydrophobicContact CG2-CD2 4.11Å; I547-Y608 HydrophobicContact CG2-CE2 3.92Å; I547-W611 HydrophobicContact CD1-CE3 4.3Å; I547-W611 HydrophobicContact CD1-CH2 3.88Å; I547-W611 HydrophobicContact CD1-CZ3 3.73Å; I547-V636 HydrophobicContact CD1-CG2 4.41Å |
| 548 | V | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 148.4 | -179.2 | -75.2 | 0 | 0 | 0 | 0 | 111.4 | L473 Y529 E530 L531 V546 I555 K556 Y558 | L473-V548 HydrophobicContact CD1-CG2 4.28Å; Y529-V548 HydrophobicContact CD1-CB 4.49Å; E530-V548 CarbonylContact O-C 3.54Å; E530-V548 WeakPolarHBondContact O-CA 3.44Å; L531-V548 HydrophobicContact CD1-CG1 4.31Å; V546-V548 HydrophobicContact CG1-CG1 3.85Å; V548-I555 WeakPolarHBondContact O-CA 3.49Å; V548-K556 PolarHBondContact N-O 3.43Å; V548-K556 PolarHBondContact O-N 3.41Å; V548-Y558 HydrophobicContact CG2-CD2 3.69Å; V548-Y558 HydrophobicContact CG2-CE2 3.7Å |
| 549 | R | 92.3 | Very high | 88.6 | Confident | 60 Ų | 60 | 37.4 Ų | 37.4 | 23% | 0.226 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.6 | 165.1 | -167.3 | -178.3 | -79.4 | 150.9 | -10.6 | 109.4 | Y529 E530 L532 Q554 I555 E605 | Y529-R549 WeakPolarHBondContact CA-O 3.33Å; E530-R549 HydrophobicContact CB-CB 3.85Å; E530-R549 PolarHBondContact N-O 3.33Å; E530-R549 PolarHBondContact O-N 3.49Å; E530-R549 IonicContact OE1-NH1 3.3Å; E530-R549 WeakPolarHBondContact OE2-CD 3.39Å; E530-R549 IonicContact OE2-CZ 2.63Å; E530-R549 IonicContact OE2-NE 3.89Å; E530-R549 IonicContact OE2-NH1 2.9Å; E530-R549 PolarHBondContact OE2-NH1 3.14Å; L532-R549 HydrophobicContact CD1-CB 4.19Å; R549-Q554 WeakPolarHBondContact CA-O 3.33Å; R549-I555 HydrophobicContact CB-CG1 4.39Å; R549-I555 HydrophobicContact CG-CG1 4.22Å; R549-E605 IonicContact CZ-OE2 3.3Å; R549-E605 IonicContact NE-OE2 3.55Å; R549-E605 IonicContact NH2-OE1 2.78Å; R549-E605 PolarHBondContact NH2-OE1 3.34Å; R549-E605 IonicContact NH2-OE2 2.75Å; R549-E605 PolarHBondContact NH2-OE2 3.18Å |
| 550 | N | 88.6 | Confident | 89.7 | Confident | 14 Ų | 14 | 34 Ų | 34 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | trans | -71.1 | 159.2 | 177.4 | -66.3 | -1.2 | 0 | 0 | 0 | 110.6 | Y529 Q552 G553 Q554 | Y529-N550 HydrophobicContact CD1-CB 4.48Å; Y529-N550 WeakPolarHBondContact CD1-OD1 3.21Å; Y529-N550 HydrophobicContact CE1-CB 4.19Å; Y529-N550 WeakPolarHBondContact CE1-OD1 3.29Å; N550-Q552 PolarHBondContact O-N 3.11Å; N550-G553 PolarHBondContact O-N 3.45Å; N550-Q554 PolarHBondContact N-O 2.66Å | ||
| 551 | P | 84.8 | Confident | 90.4 | Very high | 81 Ų | 81 | 28.1 Ų | 28.1 | 53% | 0.526 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.7 | 172.9 | -23.4 | 29.6 | 0 | 0 | 0 | 114.4 | A527 T528 G553 | A527-P551 HydrophobicContact CB-CG 4.23Å; T528-P551 WeakPolarHBondContact O-CG 3.24Å; P551-G553 VanDerWaalsContact C-N 3.3Å |
| 552 | Q | 83.9 | Confident | 90.6 | Very high | 157 Ų | 157 | 27.1 Ų | 27.1 | 73% | 0.734 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 0.5 | 178.2 | -64.1 | 160.8 | 1.6 | 0 | 0 | 113.2 | N550 | N550-Q552 PolarHBondContact O-N 3.11Š|
| 553 | G | 83.8 | Confident | 90.6 | Very high | 45 Ų | 45 | 24.3 Ų | 24.3 | 46% | 0.464 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 85.1 | 0.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N550 P551 | N550-G553 PolarHBondContact O-N 3.45Å; P551-G553 VanDerWaalsContact C-N 3.3Å |
| 554 | Q | 89.1 | Confident | 90.4 | Very high | 104 Ų | 104 | 27.5 Ų | 27.5 | 49% | 0.486 | 15% | 0.151 | S | C | . | . | trans | -81.3 | 134.4 | 178.3 | -65.3 | 178.1 | -10.1 | 0 | 0 | 111.3 | R549 N550 | R549-Q554 WeakPolarHBondContact CA-O 3.33Å; N550-Q554 PolarHBondContact N-O 2.66Å | ||
| 555 | I | 93.3 | Very high | 90.3 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.9 | 174 | -60.1 | 179 | 0 | 0 | 0 | 109.3 | L532 I547 V548 R549 L603 E605 Y608 | L532-I555 HydrophobicContact CD1-CD1 3.91Å; L532-I555 HydrophobicContact CD1-CG1 4.06Å; L532-I555 HydrophobicContact CD1-CG2 4.02Å; I547-I555 HydrophobicContact CG2-CG2 3.65Å; V548-I555 WeakPolarHBondContact O-CA 3.49Å; R549-I555 HydrophobicContact CB-CG1 4.39Å; R549-I555 HydrophobicContact CG-CG1 4.22Å; I555-L603 HydrophobicContact CB-CB 4.34Å; I555-L603 HydrophobicContact CG2-CB 3.98Å; I555-L603 HydrophobicContact CG2-CD1 4.21Å; I555-L603 PolarHBondContact O-N 3.3Å; I555-E605 WeakPolarHBondContact CD1-OE2 3.5Å; I555-Y608 HydrophobicContact CD1-CD1 3.92Å; I555-Y608 HydrophobicContact CD1-CG 3.96Å |
| 556 | K | 92.9 | Very high | 90.2 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 8% | 0.078 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.4 | 175.1 | -66.3 | -163.9 | 174.6 | -172.9 | 0 | 110.6 | D466 V548 Y558 D602 | D466-K556 IonicContact OD1-NZ 2.81Å; D466-K556 IonicContact OD2-NZ 2.7Å; D466-K556 PolarHBondContact OD2-NZ 3.4Å; D466-K556 VanDerWaalsContact OD2-NZ 3.16Å; V548-K556 PolarHBondContact N-O 3.43Å; V548-K556 PolarHBondContact O-N 3.41Å; K556-Y558 HydrophobicContact CB-CE2 4.06Å; K556-D602 WeakPolarHBondContact CE-OD1 3.38Å; K556-D602 WeakPolarHBondContact CG-OD1 3.46Å |
| 557 | L | 94.2 | Very high | 90 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 125.2 | 165 | 176 | 77.3 | 0 | 0 | 0 | 108.1 | I547 Y600 K601 L603 V636 E637 M640 | I547-L557 HydrophobicContact CD1-CD1 4.12Å; I547-L557 HydrophobicContact CG1-CD1 3.42Å; I547-L557 VanDerWaalsContact CG1-CD1 3.42Å; L557-Y600 CarbonylContact O-C 3.53Å; L557-Y600 WeakPolarHBondContact O-CA 3.33Å; L557-K601 HydrophobicContact CB-CB 4.27Å; L557-K601 HydrophobicContact CD2-CB 4.26Å; L557-K601 HydrophobicContact CD2-CD 4.49Å; L557-K601 PolarHBondContact N-O 3.12Å; L557-K601 PolarHBondContact O-N 3.33Å; L557-L603 HydrophobicContact CB-CD1 4.06Å; L557-L603 HydrophobicContact CB-CG 4.38Å; L557-V636 HydrophobicContact CD2-CG2 4.42Å; L557-E637 HydrophobicContact CD2-CG 4.35Å; L557-M640 HydrophobicContact CD2-SD 4.33Å |
| 558 | Y | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.2 | 174.3 | -75.9 | -57.8 | 0 | 0 | 0 | 109.5 | L470 L473 S545 V546 V548 K556 | L470-Y558 HydrophobicContact CB-CD1 3.73Å; L470-Y558 HydrophobicContact CB-CE1 4.05Å; L470-Y558 HydrophobicContact CB-CG 4.33Å; L470-Y558 HydrophobicContact CD1-CD1 3.75Å; L470-Y558 HydrophobicContact CG-CD1 3.62Å; L470-Y558 HydrophobicContact CG-CE1 4.41Å; L470-Y558 HydrophobicContact CG-CG 4.06Å; L473-Y558 HydrophobicContact CB-CD2 4.42Å; L473-Y558 HydrophobicContact CD1-CD2 4.14Å; L473-Y558 HydrophobicContact CD1-CE2 3.67Å; S545-Y558 CarbonylContact C-O 3.55Å; S545-Y558 WeakPolarHBondContact CA-O 3.41Å; V546-Y558 PolarHBondContact N-O 3.45Å; V546-Y558 PolarHBondContact O-N 3.42Å; V548-Y558 HydrophobicContact CG2-CD2 3.69Å; V548-Y558 HydrophobicContact CG2-CE2 3.7Å; K556-Y558 HydrophobicContact CB-CE2 4.06Å |
| 559 | C | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 137.2 | -176.9 | -175.6 | 0 | 0 | 0 | 0 | 111 | M544 S545 I566 A599 M640 | M544-C559 WeakPolarHBondContact O-CA 3.28Å; S545-C559 PolarHBondContact OG-SG 3.16Å; C559-I566 WeakPolarHBondContact SG-CD1 3.38Å; C559-A599 PolarHBondContact N-O 3.46Å; C559-A599 PolarHBondContact O-N 3.18Å; C559-A599 VanDerWaalsContact O-O 3.05Å; C559-M640 HydrophobicContact CB-CE 4.33Å; C559-M640 HydrophobicContact CB-SD 3.57Å; C559-M640 VanDerWaalsContact CB-SD 3.57Å |
| 560 | K | 93.4 | Very high | 89.6 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.4 | 172.8 | 67.9 | -176.5 | -175.5 | -179.2 | 0 | 110 | L470 C474 E496 R543 M544 A597 L598 | L470-K560 HydrophobicContact CD2-CB 4.44Å; C474-K560 WeakPolarHBondContact O-CD 3.41Å; C474-K560 WeakPolarHBondContact O-CE 3.37Å; C474-K560 PolarHBondContact O-NZ 3.46Å; E496-K560 WeakPolarHBondContact OE1-CE 3.39Å; E496-K560 IonicContact OE1-NZ 3.01Å; E496-K560 PolarHBondContact OE1-NZ 3.02Å; R543-K560 CarbonylContact C-O 3.57Å; R543-K560 WeakPolarHBondContact CA-O 3.48Å; M544-K560 HydrophobicContact CB-CG 4.27Å; M544-K560 PolarHBondContact N-O 2.94Å; M544-K560 PolarHBondContact O-N 3.13Å; K560-A597 WeakPolarHBondContact CA-O 3.39Å; K560-L598 HydrophobicContact CB-CD2 3.52Å |
| 561 | G | 91.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | -164.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K542 A597 | K542-G561 WeakPolarHBondContact O-CA 3.43Å; G561-A597 PolarHBondContact N-O 2.91Å; G561-A597 PolarHBondContact O-N 3.44Å |
| 562 | A | 87.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -63.5 | 139.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K542 T564 I565 I566 Y1128 | K542-A562 HydrophobicContact CB-CB 4.19Å; K542-A562 PolarHBondContact O-N 3.26Å; A562-T564 VanDerWaalsContact C-N 3.34Å; A562-T564 PolarHBondContact O-N 3.5Å; A562-I565 HydrophobicContact CB-CB 4.25Å; A562-I565 HydrophobicContact CB-CG1 4.02Å; A562-I565 PolarHBondContact O-N 3.31Å; A562-I565 VanDerWaalsContact O-N 3.15Å; A562-I566 WeakPolarHBondContact O-CB 3.03Å; A562-I566 VanDerWaalsContact O-CG1 3.25Å; A562-I566 WeakPolarHBondContact O-CG1 3.46Å; A562-I566 PolarHBondContact O-N 3.46Å; A562-Y1128 HydrophobicContact CB-CD1 3.59Å; A562-Y1128 HydrophobicContact CB-CD2 3.48Å; A562-Y1128 VanDerWaalsContact CB-CD2 3.48Å; A562-Y1128 HydrophobicContact CB-CE1 3.69Å; A562-Y1128 HydrophobicContact CB-CE2 3.54Å; A562-Y1128 HydrophobicContact CB-CG 3.44Å; A562-Y1128 VanDerWaalsContact CB-CG 3.44Å | ||
| 563 | D | 85.5 | Confident | 89.6 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.043 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 176.5 | 59.4 | -20.8 | 0 | 0 | 0 | 111.9 | I565 I566 F567 L585 A597 S1126 | D563-I565 PolarHBondContact O-N 3.36Å; D563-I566 PolarHBondContact O-N 2.94Å; D563-F567 HydrophobicContact CB-CD2 4.36Å; D563-F567 HydrophobicContact CB-CE2 3.94Å; D563-F567 HydrophobicContact CB-CZ 4.11Å; D563-F567 VanDerWaalsContact O-CB 3.24Å; D563-F567 WeakPolarHBondContact O-CB 3.4Å; D563-F567 WeakPolarHBondContact O-CD2 3.43Å; D563-F567 WeakPolarHBondContact O-CG 3.45Å; D563-F567 PolarHBondContact O-N 3.23Å; D563-L585 HydrophobicContact CB-CD1 3.7Å; D563-A597 HydrophobicContact CB-CB 4.31Å; D563-S1126 WeakPolarHBondContact OD2-CB 3.49Å |
| 564 | T | 85.8 | Confident | 89.4 | Confident | 74 Ų | 74 | 34.7 Ų | 34.7 | 45% | 0.454 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.1 | -35 | 177.5 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | A562 D568 | A562-T564 VanDerWaalsContact C-N 3.34Å; A562-T564 PolarHBondContact O-N 3.5Å; T564-D568 VanDerWaalsContact O-CG 3.29Å |
| 565 | I | 88.9 | Confident | 89 | Confident | 37 Ų | 37 | 34.9 Ų | 34.9 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -83.9 | -42.9 | -178.1 | -59.5 | -61.4 | 0 | 0 | 0 | 110.9 | K542 A562 D563 D568 H569 | K542-I565 HydrophobicContact CB-CG1 4.21Å; A562-I565 HydrophobicContact CB-CB 4.25Å; A562-I565 HydrophobicContact CB-CG1 4.02Å; A562-I565 PolarHBondContact O-N 3.31Å; A562-I565 VanDerWaalsContact O-N 3.15Å; D563-I565 PolarHBondContact O-N 3.36Å; I565-D568 PolarHBondContact O-N 3.01Å; I565-H569 PolarHBondContact O-ND1 2.94Å |
| 566 | I | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.3 | -41.2 | -178.9 | -65.9 | -65.7 | 0 | 0 | 0 | 110.2 | R543 C559 A562 D563 D568 H569 L570 A597 A599 M640 | R543-I566 HydrophobicContact CB-CD1 4.4Å; C559-I566 WeakPolarHBondContact SG-CD1 3.38Å; A562-I566 WeakPolarHBondContact O-CB 3.03Å; A562-I566 VanDerWaalsContact O-CG1 3.25Å; A562-I566 WeakPolarHBondContact O-CG1 3.46Å; A562-I566 PolarHBondContact O-N 3.46Å; D563-I566 PolarHBondContact O-N 2.94Å; I566-D568 VanDerWaalsContact C-N 3.29Å; I566-D568 PolarHBondContact O-N 3.36Å; I566-H569 PolarHBondContact O-N 2.86Å; I566-L570 HydrophobicContact CG2-CD2 4.24Å; I566-L570 WeakPolarHBondContact O-CG 3.39Å; I566-L570 PolarHBondContact O-N 3.33Å; I566-A597 HydrophobicContact CB-CB 3.99Å; I566-A597 HydrophobicContact CG1-CB 4.17Å; I566-A597 HydrophobicContact CG2-CB 4.07Å; I566-A599 HydrophobicContact CG2-CB 3.86Å; I566-M640 HydrophobicContact CD1-CE 4.15Å |
| 567 | F | 89.7 | Confident | 88.2 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -35 | -179.8 | -66.9 | -13 | 0 | 0 | 0 | 113.1 | D563 H569 L570 M578 L585 A597 L642 | D563-F567 HydrophobicContact CB-CD2 4.36Å; D563-F567 HydrophobicContact CB-CE2 3.94Å; D563-F567 HydrophobicContact CB-CZ 4.11Å; D563-F567 VanDerWaalsContact O-CB 3.24Å; D563-F567 WeakPolarHBondContact O-CB 3.4Å; D563-F567 WeakPolarHBondContact O-CD2 3.43Å; D563-F567 WeakPolarHBondContact O-CG 3.45Å; D563-F567 PolarHBondContact O-N 3.23Å; F567-H569 PolarHBondContact O-N 3.12Å; F567-L570 HydrophobicContact CD1-CD1 3.76Å; F567-L570 HydrophobicContact CE1-CD1 4.45Å; F567-L570 PolarHBondContact O-N 3.18Å; F567-M578 HydrophobicContact CB-SD 4.17Å; F567-M578 HydrophobicContact CD1-CG 4.08Å; F567-M578 HydrophobicContact CD2-CG 4.24Å; F567-M578 HydrophobicContact CE1-CG 4.22Å; F567-M578 HydrophobicContact CE2-CG 4.38Å; F567-M578 HydrophobicContact CG-CG 4.07Å; F567-M578 HydrophobicContact CG-SD 4.24Å; F567-M578 HydrophobicContact CZ-CG 4.35Å; F567-L585 HydrophobicContact CE2-CD1 4.1Å; F567-L585 HydrophobicContact CZ-CD1 3.57Å; F567-A597 HydrophobicContact CE1-CB 4.44Å; F567-L642 HydrophobicContact CE1-CD1 4.16Å; F567-L642 HydrophobicContact CE1-CD2 4.03Å |
| 568 | D | 89.2 | Confident | 87.9 | Confident | 132 Ų | 132 | 44.4 Ų | 44.4 | 71% | 0.706 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.8 | -19.3 | 175.5 | -68.4 | -15.3 | 0 | 0 | 0 | 113.5 | T564 I565 I566 | T564-D568 VanDerWaalsContact O-CG 3.29Å; I565-D568 PolarHBondContact O-N 3.01Å; I566-D568 VanDerWaalsContact C-N 3.29Å; I566-D568 PolarHBondContact O-N 3.36Å |
| 569 | H | 90.1 | Very high | 87.6 | Confident | 26 Ų | 26 | 52 Ų | 52 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 5.4 | -175.6 | -65 | 74.6 | 0 | 0 | 0 | 113.4 | I565 I566 F567 E634 G639 M640 | I565-H569 PolarHBondContact O-ND1 2.94Å; I566-H569 PolarHBondContact O-N 2.86Å; F567-H569 PolarHBondContact O-N 3.12Å; H569-E634 IonicContact NE2-OE1 3.98Å; H569-E634 PolarHBondContact NE2-OE1 2.81Å; H569-G639 PolarHBondContact O-N 3Å; H569-M640 HydrophobicContact CB-CE 3.7Å; H569-M640 PolarHBondContact O-N 3.36Å |
| 570 | L | 91.3 | Very high | 87.3 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 151.9 | 179.1 | -69.3 | 178.3 | 0 | 0 | 0 | 112.2 | I566 F567 M578 A599 M640 L642 | I566-L570 HydrophobicContact CG2-CD2 4.24Å; I566-L570 WeakPolarHBondContact O-CG 3.39Å; I566-L570 PolarHBondContact O-N 3.33Å; F567-L570 HydrophobicContact CD1-CD1 3.76Å; F567-L570 HydrophobicContact CE1-CD1 4.45Å; F567-L570 PolarHBondContact O-N 3.18Å; L570-M578 HydrophobicContact CD1-CB 4.47Å; L570-M578 HydrophobicContact CD1-CG 4.42Å; L570-A599 HydrophobicContact CD2-CB 4.2Å; L570-M640 CarbonylContact C-O 3.23Å; L570-M640 VanDerWaalsContact CA-O 3.31Å; L570-M640 WeakPolarHBondContact CA-O 3.44Å; L570-M640 HydrophobicContact CD2-CB 4.48Å; L570-M640 WeakPolarHBondContact CD2-O 3.35Å; L570-L642 HydrophobicContact CD1-CB 3.85Å; L570-L642 HydrophobicContact CD1-CD1 4.36Å; L570-L642 HydrophobicContact CD1-CD2 4.08Å; L570-L642 HydrophobicContact CD1-CG 4.33Å; L570-L642 HydrophobicContact CD2-CB 3.8Å; L570-L642 HydrophobicContact CD2-CD1 4.5Å |
| 571 | D | 89.3 | Confident | 87.2 | Confident | 61 Ų | 61 | 53.2 Ų | 53.2 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | trans | -71.3 | 139.5 | 167.4 | -172.3 | -79.9 | 0 | 0 | 0 | 110 | S573 S574 M640 | D571-S573 PolarHBondContact O-N 3.44Å; D571-S573 WeakPolarHBondContact OD1-CB 3.29Å; D571-S573 PolarHBondContact OD1-N 2.94Å; D571-S573 PolarHBondContact OD1-OG 2.92Å; D571-S574 PolarHBondContact O-N 3.05Å; D571-M640 PolarHBondContact N-O 2.92Å | ||
| 572 | P | 84.8 | Confident | 87.1 | Confident | 96 Ų | 96 | 55.7 Ų | 55.7 | 62% | 0.623 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -54.9 | -22.7 | 179.7 | -26.1 | 34.2 | 0 | 0 | 0 | 114.5 | S574 E575 | P572-S574 PolarHBondContact O-N 2.83Å; P572-S574 VanDerWaalsContact O-N 3.13Å; P572-E575 WeakPolarHBondContact O-CG 3.19Å; P572-E575 PolarHBondContact O-N 2.95Å |
| 573 | S | 81.8 | Confident | 87.1 | Confident | 85 Ų | 85 | 61.8 Ų | 61.8 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -62.5 | -14.3 | 174.6 | 58.6 | 0 | 0 | 0 | 0 | 114.7 | D571 | D571-S573 PolarHBondContact O-N 3.44Å; D571-S573 WeakPolarHBondContact OD1-CB 3.29Å; D571-S573 PolarHBondContact OD1-N 2.94Å; D571-S573 PolarHBondContact OD1-OG 2.92Å |
| 574 | S | 79.9 | Confident | 87.3 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -99.3 | 8.5 | -178.2 | -55.6 | 0 | 0 | 0 | 0 | 114.2 | D571 P572 D576 L577 M578 | D571-S574 PolarHBondContact O-N 3.05Å; P572-S574 PolarHBondContact O-N 2.83Å; P572-S574 VanDerWaalsContact O-N 3.13Å; S574-D576 PolarHBondContact O-N 3.13Å; S574-L577 PolarHBondContact O-N 3.05Å; S574-M578 WeakPolarHBondContact O-CB 3.04Å; S574-M578 PolarHBondContact O-N 3.22Å |
| 575 | E | 80.8 | Confident | 87.3 | Confident | 109 Ų | 109 | 59.4 Ų | 59.4 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | -174.2 | -82.5 | -176 | -176.9 | 0 | 0 | 113.8 | P572 L577 M578 Y579 | P572-E575 WeakPolarHBondContact O-CG 3.19Å; P572-E575 PolarHBondContact O-N 2.95Å; E575-L577 VanDerWaalsContact C-N 3.29Å; E575-L577 PolarHBondContact O-N 2.83Å; E575-M578 WeakPolarHBondContact O-CB 3.33Å; E575-M578 PolarHBondContact O-N 3.19Å; E575-Y579 WeakPolarHBondContact O-CD2 3.44Å; E575-Y579 PolarHBondContact O-N 3.36Å; E575-Y579 VanDerWaalsContact O-N 3.13Å |
| 576 | D | 83.3 | Confident | 87 | Confident | 145 Ų | 145 | 58.6 Ų | 58.6 | 78% | 0.775 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.9 | -40.5 | -179.8 | -68.3 | -29 | 0 | 0 | 0 | 111.9 | S574 Y579 A580 | S574-D576 PolarHBondContact O-N 3.13Å; D576-Y579 PolarHBondContact O-N 3.39Å; D576-A580 PolarHBondContact O-N 2.94Å |
| 577 | L | 86.6 | Confident | 86.6 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73.2 | -31.5 | 179.6 | -159.4 | 139.6 | 0 | 0 | 0 | 111.9 | N410 S574 E575 T581 L642 | N410-L577 VanDerWaalsContact OD1-CD1 3.3Å; N410-L577 WeakPolarHBondContact OD1-CD1 3.38Å; S574-L577 PolarHBondContact O-N 3.05Å; E575-L577 VanDerWaalsContact C-N 3.29Å; E575-L577 PolarHBondContact O-N 2.83Å; L577-T581 VanDerWaalsContact O-CB 3.28Å; L577-T581 WeakPolarHBondContact O-CB 3.43Å; L577-T581 PolarHBondContact O-N 3Å; L577-T581 PolarHBondContact O-OG1 3.41Å; L577-L642 HydrophobicContact CD2-CB 3.98Å; L577-L642 HydrophobicContact CD2-CD2 3.58Å; L577-L642 HydrophobicContact CD2-CG 3.66Å |
| 578 | M | 87.3 | Confident | 86.5 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 21% | 0.207 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 173.6 | -179 | -170 | 70.1 | 0 | 0 | 111 | F567 L570 S574 E575 T581 S582 L642 | F567-M578 HydrophobicContact CB-SD 4.17Å; F567-M578 HydrophobicContact CD1-CG 4.08Å; F567-M578 HydrophobicContact CD2-CG 4.24Å; F567-M578 HydrophobicContact CE1-CG 4.22Å; F567-M578 HydrophobicContact CE2-CG 4.38Å; F567-M578 HydrophobicContact CG-CG 4.07Å; F567-M578 HydrophobicContact CG-SD 4.24Å; F567-M578 HydrophobicContact CZ-CG 4.35Å; L570-M578 HydrophobicContact CD1-CB 4.47Å; L570-M578 HydrophobicContact CD1-CG 4.42Å; S574-M578 WeakPolarHBondContact O-CB 3.04Å; S574-M578 PolarHBondContact O-N 3.22Å; E575-M578 WeakPolarHBondContact O-CB 3.33Å; E575-M578 PolarHBondContact O-N 3.19Å; M578-T581 PolarHBondContact O-N 2.95Å; M578-S582 WeakPolarHBondContact O-CB 3.45Å; M578-S582 PolarHBondContact O-N 3.15Å; M578-L642 HydrophobicContact CB-CD2 4.3Å |
| 579 | Y | 87.6 | Confident | 85.9 | Confident | 160 Ų | 160 | 54.8 Ų | 54.8 | 63% | 0.627 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62 | -48.4 | 178.1 | -76.9 | -70.9 | 0 | 0 | 0 | 112.6 | E575 D576 S582 E583 | E575-Y579 WeakPolarHBondContact O-CD2 3.44Å; E575-Y579 PolarHBondContact O-N 3.36Å; E575-Y579 VanDerWaalsContact O-N 3.13Å; D576-Y579 PolarHBondContact O-N 3.39Å; Y579-S582 PolarHBondContact O-N 2.8Å; Y579-E583 PolarHBondContact O-N 3.03Å; Y579-E583 VanDerWaalsContact O-N 3.12Å |
| 580 | A | 89.8 | Confident | 84.9 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D576 S582 E583 H584 | D576-A580 PolarHBondContact O-N 2.94Å; A580-S582 VanDerWaalsContact C-N 3.33Å; A580-S582 PolarHBondContact O-N 3.41Å; A580-E583 PolarHBondContact O-N 3.03Å; A580-H584 PolarHBondContact O-CD2 2.98Å; A580-H584 VanDerWaalsContact O-CG 3.3Å; A580-H584 PolarHBondContact O-N 3.3Å; A580-H584 PolarHBondContact O-ND1 2.81Å |
| 581 | T | 90.6 | Very high | 84 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 179.5 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | L577 M578 H584 L585 L642 A645 | L577-T581 VanDerWaalsContact O-CB 3.28Å; L577-T581 WeakPolarHBondContact O-CB 3.43Å; L577-T581 PolarHBondContact O-N 3Å; L577-T581 PolarHBondContact O-OG1 3.41Å; M578-T581 PolarHBondContact O-N 2.95Å; T581-H584 PolarHBondContact O-N 3.41Å; T581-L585 HydrophobicContact CG2-CD1 4.16Å; T581-L585 HydrophobicContact CG2-CG 4.37Å; T581-L585 WeakPolarHBondContact O-CB 3.46Å; T581-L585 VanDerWaalsContact O-CG 3.23Å; T581-L585 WeakPolarHBondContact O-CG 3.41Å; T581-L585 PolarHBondContact O-N 3.03Å; T581-L642 HydrophobicContact CG2-CD2 4.41Å; T581-A645 HydrophobicContact CG2-CB 3.79Å |
| 582 | S | 88.1 | Confident | 83.4 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 112 | M578 Y579 A580 L585 S586 | M578-S582 WeakPolarHBondContact O-CB 3.45Å; M578-S582 PolarHBondContact O-N 3.15Å; Y579-S582 PolarHBondContact O-N 2.8Å; A580-S582 VanDerWaalsContact C-N 3.33Å; A580-S582 PolarHBondContact O-N 3.41Å; S582-L585 PolarHBondContact O-N 2.98Å; S582-S586 PolarHBondContact O-N 2.7Å |
| 583 | E | 87.6 | Confident | 83.3 | Confident | 129 Ų | 129 | 49.3 Ų | 49.3 | 60% | 0.603 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 173.6 | -172.9 | 168.4 | -159.7 | 0 | 0 | 111.3 | Y579 A580 L585 S586 E587 | Y579-E583 PolarHBondContact O-N 3.03Å; Y579-E583 VanDerWaalsContact O-N 3.12Å; A580-E583 PolarHBondContact O-N 3.03Å; E583-L585 PolarHBondContact O-N 3.2Å; E583-S586 WeakPolarHBondContact O-CB 3.31Å; E583-S586 PolarHBondContact O-N 3.26Å; E583-S586 VanDerWaalsContact O-N 3.11Å; E583-S586 PolarHBondContact O-OG 3.41Å; E583-E587 PolarHBondContact O-N 3.12Å |
| 584 | H | 89.8 | Confident | 83.5 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 14% | 0.139 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.3 | -56.9 | 160.1 | 0 | 0 | 0 | 112.7 | S408 G411 T413 A580 T581 S586 E587 F588 | S408-H584 PolarHBondContact OG-ND1 3.08Å; G411-H584 PolarHBondContact O-CE1 2.94Å; T413-H584 HydrophobicContact CG2-CB 3.94Å; T413-H584 VanDerWaalsContact CG2-CD2 3.46Å; T413-H584 WeakPolarHBondContact CG2-CD2 3.46Å; T413-H584 WeakPolarHBondContact CG2-ND1 3.45Å; A580-H584 PolarHBondContact O-CD2 2.98Å; A580-H584 VanDerWaalsContact O-CG 3.3Å; A580-H584 PolarHBondContact O-N 3.3Å; A580-H584 PolarHBondContact O-ND1 2.81Å; T581-H584 PolarHBondContact O-N 3.41Å; H584-S586 PolarHBondContact O-N 3.47Å; H584-E587 PolarHBondContact O-N 2.84Å; H584-E587 VanDerWaalsContact O-N 3.16Å; H584-F588 HydrophobicContact CB-CE2 4.25Å; H584-F588 HydrophobicContact CB-CZ 4.3Å; H584-F588 WeakPolarHBondContact O-CD2 3.41Å; H584-F588 WeakPolarHBondContact O-CG 3.4Å; H584-F588 PolarHBondContact O-N 2.89Å |
| 585 | L | 87 | Confident | 84 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.1 | -38.2 | 174.7 | -78 | 168.5 | 0 | 0 | 0 | 111.6 | D563 F567 T581 S582 E583 A589 T595 A645 | D563-L585 HydrophobicContact CB-CD1 3.7Å; F567-L585 HydrophobicContact CE2-CD1 4.1Å; F567-L585 HydrophobicContact CZ-CD1 3.57Å; T581-L585 HydrophobicContact CG2-CD1 4.16Å; T581-L585 HydrophobicContact CG2-CG 4.37Å; T581-L585 WeakPolarHBondContact O-CB 3.46Å; T581-L585 VanDerWaalsContact O-CG 3.23Å; T581-L585 WeakPolarHBondContact O-CG 3.41Å; T581-L585 PolarHBondContact O-N 3.03Å; S582-L585 PolarHBondContact O-N 2.98Å; E583-L585 PolarHBondContact O-N 3.2Å; L585-A589 VanDerWaalsContact O-CB 3.22Å; L585-A589 WeakPolarHBondContact O-CB 3.14Å; L585-A589 PolarHBondContact O-N 3.3Å; L585-T595 HydrophobicContact CD2-CG2 3.72Å; L585-A645 HydrophobicContact CD1-CB 4.4Å; L585-A645 HydrophobicContact CD2-CB 3.58Å; L585-A645 HydrophobicContact CG-CB 3.98Å |
| 586 | S | 81.8 | Confident | 84.5 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.7 | -34.3 | 177 | 77.8 | 0 | 0 | 0 | 0 | 113.2 | S582 E583 H584 G590 R1125 | S582-S586 PolarHBondContact O-N 2.7Å; E583-S586 WeakPolarHBondContact O-CB 3.31Å; E583-S586 PolarHBondContact O-N 3.26Å; E583-S586 VanDerWaalsContact O-N 3.11Å; E583-S586 PolarHBondContact O-OG 3.41Å; H584-S586 PolarHBondContact O-N 3.47Å; S586-G590 PolarHBondContact O-N 2.86Å; S586-R1125 WeakPolarHBondContact CA-O 3.36Å |
| 587 | E | 83.3 | Confident | 84.9 | Confident | 75 Ų | 75 | 33 Ų | 33 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.3 | -47.2 | 171.9 | -172.8 | -179.2 | 173.2 | 0 | 0 | 111 | K424 E583 H584 A589 G590 E591 | K424-E587 IonicContact NZ-OE1 3.46Å; K424-E587 PolarHBondContact NZ-OE1 2.84Å; K424-E587 VanDerWaalsContact NZ-OE1 3.11Å; E583-E587 PolarHBondContact O-N 3.12Å; H584-E587 PolarHBondContact O-N 2.84Å; H584-E587 VanDerWaalsContact O-N 3.16Å; E587-A589 VanDerWaalsContact C-N 3.28Å; E587-A589 PolarHBondContact O-N 2.72Å; E587-G590 PolarHBondContact O-N 2.9Å; E587-G590 VanDerWaalsContact O-N 3.13Å; E587-E591 PolarHBondContact O-N 3.06Å |
| 588 | F | 85.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 177 | -60.8 | -21 | 0 | 0 | 0 | 111.6 | K406 T413 H584 E591 G592 L593 T595 A647 | K406-F588 HydrophobicContact CB-CD1 4.35Å; K406-F588 HydrophobicContact CB-CE1 3.86Å; K406-F588 HydrophobicContact CB-CZ 3.97Å; K406-F588 HydrophobicContact CD-CD1 3.85Å; K406-F588 HydrophobicContact CD-CE1 3.63Å; K406-F588 HydrophobicContact CG-CE1 4.41Å; T413-F588 HydrophobicContact CG2-CZ 4.21Å; H584-F588 HydrophobicContact CB-CE2 4.25Å; H584-F588 HydrophobicContact CB-CZ 4.3Å; H584-F588 WeakPolarHBondContact O-CD2 3.41Å; H584-F588 WeakPolarHBondContact O-CG 3.4Å; H584-F588 PolarHBondContact O-N 2.89Å; F588-E591 PolarHBondContact O-N 2.91Å; F588-G592 PolarHBondContact O-N 2.83Å; F588-L593 HydrophobicContact CB-CB 4.33Å; F588-L593 HydrophobicContact CB-CD1 4.27Å; F588-L593 HydrophobicContact CD1-CD1 4.46Å; F588-L593 WeakPolarHBondContact O-CB 3.19Å; F588-L593 PolarHBondContact O-N 3.01Å; F588-T595 HydrophobicContact CB-CG2 3.65Å; F588-T595 HydrophobicContact CD2-CG2 4.28Å; F588-T595 HydrophobicContact CG-CG2 4.5Å; F588-A647 HydrophobicContact CB-CB 4.08Å; F588-A647 HydrophobicContact CD2-CB 3.68Å; F588-A647 HydrophobicContact CE2-CB 4.22Å; F588-A647 HydrophobicContact CG-CB 3.85Å |
| 589 | A | 76.6 | Confident | 85.7 | Confident | 11 Ų | 11 | 29.2 Ų | 29.2 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L585 E587 E591 G592 R1125 A1127 | L585-A589 VanDerWaalsContact O-CB 3.22Å; L585-A589 WeakPolarHBondContact O-CB 3.14Å; L585-A589 PolarHBondContact O-N 3.3Å; E587-A589 VanDerWaalsContact C-N 3.28Å; E587-A589 PolarHBondContact O-N 2.72Å; A589-E591 PolarHBondContact O-N 2.84Å; A589-G592 WeakPolarHBondContact O-CA 3.33Å; A589-G592 PolarHBondContact O-N 2.88Å; A589-R1125 VanDerWaalsContact CB-O 3.29Å; A589-R1125 WeakPolarHBondContact CB-O 3.15Å; A589-A1127 HydrophobicContact CB-CB 3.31Å |
| 590 | G | 69.7 | Low | 86 | Confident | 25 Ų | 25 | 23.6 Ų | 23.6 | 26% | 0.258 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -65.2 | -25.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S586 E587 G592 | S586-G590 PolarHBondContact O-N 2.86Å; E587-G590 PolarHBondContact O-N 2.9Å; E587-G590 VanDerWaalsContact O-N 3.13Å; G590-G592 VanDerWaalsContact C-N 3.27Å |
| 591 | E | 73.3 | Confident | 86.1 | Confident | 53 Ų | 53 | 24.1 Ų | 24.1 | 25% | 0.248 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -9.5 | 170.3 | -68 | -178.1 | 176 | 0 | 0 | 113.3 | K406 K424 E587 F588 A589 L593 | K406-E591 WeakPolarHBondContact CE-OE2 3.37Å; K406-E591 VanDerWaalsContact NZ-CD 3.26Å; K406-E591 IonicContact NZ-OE1 3.46Å; K406-E591 PolarHBondContact NZ-OE1 3.39Å; K406-E591 IonicContact NZ-OE2 3.87Å; K406-E591 PolarHBondContact NZ-OE2 2.89Å; K424-E591 IonicContact NZ-OE1 3.29Å; K424-E591 PolarHBondContact NZ-OE1 2.99Å; E587-E591 PolarHBondContact O-N 3.06Å; F588-E591 PolarHBondContact O-N 2.91Å; A589-E591 PolarHBondContact O-N 2.84Å; E591-L593 HydrophobicContact CB-CD1 4.47Å; E591-L593 HydrophobicContact CB-CG 4.23Å |
| 592 | G | 75.6 | Confident | 86.2 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 13.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F588 A589 G590 S683 | F588-G592 PolarHBondContact O-N 2.83Å; A589-G592 WeakPolarHBondContact O-CA 3.33Å; A589-G592 PolarHBondContact O-N 2.88Å; G590-G592 VanDerWaalsContact C-N 3.27Å; G592-S683 PolarHBondContact O-OG 3.48Å |
| 593 | L | 84.1 | Confident | 86.4 | Confident | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | trans | -76.5 | 145.9 | 177.7 | -55.8 | 175 | 0 | 0 | 0 | 110.9 | K406 F588 E591 A647 E649 | K406-L593 HydrophobicContact CD-CD1 3.96Å; K406-L593 HydrophobicContact CG-CD1 4.22Å; F588-L593 HydrophobicContact CB-CB 4.33Å; F588-L593 HydrophobicContact CB-CD1 4.27Å; F588-L593 HydrophobicContact CD1-CD1 4.46Å; F588-L593 WeakPolarHBondContact O-CB 3.19Å; F588-L593 PolarHBondContact O-N 3.01Å; E591-L593 HydrophobicContact CB-CD1 4.47Å; E591-L593 HydrophobicContact CB-CG 4.23Å; L593-A647 HydrophobicContact CB-CB 4.03Å; L593-A647 HydrophobicContact CD1-CB 3.83Å; L593-E649 HydrophobicContact CD2-CB 3.68Å; L593-E649 HydrophobicContact CD2-CG 3.96Å | ||
| 594 | R | 85.9 | Confident | 86.6 | Confident | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 123.6 | 174.1 | -56.3 | -175 | -180 | -176.3 | 0.6 | 109.3 | D495 A647 I648 D650 A1129 | D495-R594 IonicContact OD1-NH1 3.29Å; D495-R594 PolarHBondContact OD1-NH1 3.39Å; D495-R594 VanDerWaalsContact OD1-NH1 3.08Å; D495-R594 IonicContact OD2-NH1 3.01Å; R594-A647 CarbonylContact O-C 3.43Å; R594-A647 WeakPolarHBondContact O-CA 3.38Å; R594-I648 HydrophobicContact CB-CB 4.44Å; R594-I648 PolarHBondContact N-O 3.12Å; R594-I648 PolarHBondContact O-N 3.34Å; R594-D650 IonicContact CZ-OD2 2.72Å; R594-D650 IonicContact NH2-OD2 3.8Å; R594-D650 PolarHBondContact NH2-OD2 2.94Å; R594-A1129 HydrophobicContact CB-CB 4.2Å; R594-A1129 HydrophobicContact CG-CB 3.93Å |
| 595 | T | 88.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 145.1 | -175.1 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | L585 F588 T646 A1127 Y1128 | L585-T595 HydrophobicContact CD2-CG2 3.72Å; F588-T595 HydrophobicContact CB-CG2 3.65Å; F588-T595 HydrophobicContact CD2-CG2 4.28Å; F588-T595 HydrophobicContact CG-CG2 4.5Å; T595-T646 VanDerWaalsContact CA-O 3.31Å; T595-T646 WeakPolarHBondContact CA-O 3.42Å; T595-A1127 PolarHBondContact N-O 3.26Å; T595-Y1128 WeakPolarHBondContact O-CD2 3.5Å |
| 596 | L | 91.7 | Very high | 86.7 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.4 | 170.5 | -61.5 | 169.2 | 0 | 0 | 0 | 110.2 | L499 A645 T646 I648 Y1128 F1130 | L499-L596 HydrophobicContact CD1-CD1 3.96Å; L596-A645 CarbonylContact O-C 3.59Å; L596-A645 WeakPolarHBondContact O-CA 3.35Å; L596-T646 WeakPolarHBondContact CB-OG1 3.37Å; L596-T646 PolarHBondContact N-O 3.44Å; L596-T646 PolarHBondContact O-N 3.4Å; L596-I648 HydrophobicContact CD1-CD1 4.32Å; L596-Y1128 HydrophobicContact CD2-CD2 3.86Å; L596-Y1128 HydrophobicContact CD2-CE2 3.43Å; L596-Y1128 VanDerWaalsContact CD2-CE2 3.43Å; L596-F1130 HydrophobicContact CD1-CD2 3.77Å; L596-F1130 HydrophobicContact CD1-CE2 3.8Å; L596-F1130 HydrophobicContact CD2-CB 4.22Å; L596-F1130 HydrophobicContact CD2-CD2 3.85Å; L596-F1130 HydrophobicContact CD2-CG 4.22Å; L596-F1130 HydrophobicContact CG-CD2 4.38Å |
| 597 | A | 93.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 141.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | K560 G561 D563 I566 F567 | K560-A597 WeakPolarHBondContact CA-O 3.39Å; G561-A597 PolarHBondContact N-O 2.91Å; G561-A597 PolarHBondContact O-N 3.44Å; D563-A597 HydrophobicContact CB-CB 4.31Å; I566-A597 HydrophobicContact CB-CB 3.99Å; I566-A597 HydrophobicContact CG1-CB 4.17Å; I566-A597 HydrophobicContact CG2-CB 4.07Å; F567-A597 HydrophobicContact CE1-CB 4.44Å |
| 598 | L | 94.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.8 | -178.6 | -53.3 | -175.1 | 0 | 0 | 0 | 110.4 | F467 L470 L471 K560 L643 G644 T646 | F467-L598 HydrophobicContact CD2-CD1 3.62Å; F467-L598 HydrophobicContact CE2-CD1 3.32Å; F467-L598 HydrophobicContact CE2-CG 4.37Å; F467-L598 HydrophobicContact CG-CD1 4.42Å; F467-L598 HydrophobicContact CZ-CD1 3.91Å; L470-L598 HydrophobicContact CD1-CB 3.89Å; L470-L598 HydrophobicContact CD2-CB 4.35Å; L470-L598 HydrophobicContact CD2-CD1 4.12Å; L470-L598 HydrophobicContact CD2-CD2 3.85Å; L470-L598 HydrophobicContact CD2-CG 4.35Å; L471-L598 HydrophobicContact CD2-CD1 3.78Å; L471-L598 HydrophobicContact CD2-CD2 4.3Å; L471-L598 HydrophobicContact CG-CD1 4.32Å; K560-L598 HydrophobicContact CB-CD2 3.52Å; L598-L643 WeakPolarHBondContact O-CB 3.29Å; L598-L643 PolarHBondContact O-N 3.47Å; L598-G644 PolarHBondContact N-O 3.21Å; L598-G644 PolarHBondContact O-N 2.96Å; L598-T646 HydrophobicContact CD1-CG2 3.74Å; L598-T646 HydrophobicContact CD2-CG2 4.44Å; L598-T646 HydrophobicContact CG-CG2 4.19Å |
| 599 | A | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 156.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L470 C559 I566 L570 M640 K641 | L470-A599 WeakPolarHBondContact CD1-O 3.47Å; C559-A599 PolarHBondContact N-O 3.46Å; C559-A599 PolarHBondContact O-N 3.18Å; C559-A599 VanDerWaalsContact O-O 3.05Å; I566-A599 HydrophobicContact CG2-CB 3.86Å; L570-A599 HydrophobicContact CD2-CB 4.2Å; A599-M640 HydrophobicContact CB-CB 3.92Å; A599-M640 HydrophobicContact CB-CE 4.33Å; A599-M640 HydrophobicContact CB-SD 4.24Å; A599-K641 CarbonylContact C-O 3.6Å; A599-K641 VanDerWaalsContact CA-O 3.24Å; A599-K641 WeakPolarHBondContact CA-O 3.23Å; A599-K641 WeakPolarHBondContact CB-O 3.11Å |
| 600 | Y | 94.1 | Very high | 88.2 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 17% | 0.165 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 160.4 | 175.7 | 78.5 | -79 | 0 | 0 | 0 | 111.5 | L557 K641 L643 | L557-Y600 CarbonylContact O-C 3.53Å; L557-Y600 WeakPolarHBondContact O-CA 3.33Å; Y600-K641 HydrophobicContact CD1-CB 4.35Å; Y600-K641 HydrophobicContact CE1-CB 3.92Å; Y600-K641 PolarHBondContact N-O 3.41Å; Y600-K641 PolarHBondContact O-N 3.26Å; Y600-L643 HydrophobicContact CD1-CB 4.23Å; Y600-L643 HydrophobicContact CD1-CD1 4.07Å; Y600-L643 HydrophobicContact CE1-CD1 3.95Å |
| 601 | K | 93.3 | Very high | 89.2 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 18% | 0.183 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 131 | 176.1 | 179.4 | 178.5 | 174 | -174.2 | 0 | 110 | L557 L603 V636 Q638 M640 | L557-K601 HydrophobicContact CB-CB 4.27Å; L557-K601 HydrophobicContact CD2-CB 4.26Å; L557-K601 HydrophobicContact CD2-CD 4.49Å; L557-K601 PolarHBondContact N-O 3.12Å; L557-K601 PolarHBondContact O-N 3.33Å; K601-L603 HydrophobicContact CD-CD2 4.12Å; K601-L603 HydrophobicContact CG-CD2 4.21Å; K601-V636 PolarHBondContact NZ-O 3.2Å; K601-Q638 WeakPolarHBondContact CE-O 3.34Å; K601-Q638 PolarHBondContact NZ-O 3.3Å; K601-M640 HydrophobicContact CB-CG 4.15Å; K601-M640 HydrophobicContact CD-CG 4.46Å |
| 602 | D | 92.2 | Very high | 89.8 | Confident | 87 Ų | 87 | 42.7 Ų | 42.7 | 47% | 0.465 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 128.9 | 173.2 | -58.8 | -45.4 | 0 | 0 | 0 | 108.9 | K556 | K556-D602 WeakPolarHBondContact CE-OD1 3.38Å; K556-D602 WeakPolarHBondContact CG-OD1 3.46Å |
| 603 | L | 92.1 | Very high | 90.3 | Very high | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.7 | -178.5 | -63.9 | 175.6 | 0 | 0 | 0 | 110.5 | I547 I555 L557 K601 Y607 V636 | I547-L603 HydrophobicContact CD1-CD1 4.4Å; I547-L603 HydrophobicContact CG2-CD1 4.3Å; I555-L603 HydrophobicContact CB-CB 4.34Å; I555-L603 HydrophobicContact CG2-CB 3.98Å; I555-L603 HydrophobicContact CG2-CD1 4.21Å; I555-L603 PolarHBondContact O-N 3.3Å; L557-L603 HydrophobicContact CB-CD1 4.06Å; L557-L603 HydrophobicContact CB-CG 4.38Å; K601-L603 HydrophobicContact CD-CD2 4.12Å; K601-L603 HydrophobicContact CG-CD2 4.21Å; L603-Y607 HydrophobicContact CD2-CD1 4Å; L603-Y607 HydrophobicContact CD2-CE1 4.07Å; L603-V636 HydrophobicContact CD1-CG2 4.14Å; L603-V636 HydrophobicContact CD2-CG2 4.37Å |
| 604 | S | 92.4 | Very high | 90.4 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | trans | -78.3 | 146.9 | 169.6 | 69.3 | 0 | 0 | 0 | 0 | 110.7 | E606 Y607 Y608 | S604-E606 VanDerWaalsContact C-N 3.25Å; S604-E606 PolarHBondContact O-N 3.46Å; S604-Y607 PolarHBondContact O-N 3.48Å; S604-Y607 VanDerWaalsContact OG-CB 3.27Å; S604-Y607 WeakPolarHBondContact OG-CB 3.48Å; S604-Y607 PolarHBondContact OG-N 3.3Å; S604-Y608 PolarHBondContact O-N 2.9Å | ||
| 605 | E | 88.8 | Confident | 90.2 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -39.1 | 178.6 | -174 | 66.4 | -140.9 | 0 | 0 | 111.5 | R549 I555 Y608 Q609 | R549-E605 IonicContact CZ-OE2 3.3Å; R549-E605 IonicContact NE-OE2 3.55Å; R549-E605 IonicContact NH2-OE1 2.78Å; R549-E605 PolarHBondContact NH2-OE1 3.34Å; R549-E605 IonicContact NH2-OE2 2.75Å; R549-E605 PolarHBondContact NH2-OE2 3.18Å; I555-E605 WeakPolarHBondContact CD1-OE2 3.5Å; E605-Y608 PolarHBondContact O-N 3.3Å; E605-Q609 WeakPolarHBondContact O-CG 3.29Å; E605-Q609 PolarHBondContact O-N 3.5Å; E605-Q609 PolarHBondContact OE1-NE2 2.92Å; E605-Q609 VanDerWaalsContact OE1-NE2 3.15Å |
| 606 | E | 89.4 | Confident | 89.8 | Confident | 158 Ų | 158 | 61.5 Ų | 61.5 | 74% | 0.738 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 177.5 | -64 | 175.5 | -179.5 | 0 | 0 | 112.1 | S604 M610 | S604-E606 VanDerWaalsContact C-N 3.25Å; S604-E606 PolarHBondContact O-N 3.46Å; E606-M610 PolarHBondContact O-N 2.79Å |
| 607 | Y | 90.1 | Very high | 89.4 | Confident | 70 Ų | 70 | 69 Ų | 69 | 28% | 0.275 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.9 | -43.4 | 178.7 | 178.7 | -95.9 | 0 | 0 | 0 | 111.2 | L603 S604 Q609 M610 W611 V636 | L603-Y607 HydrophobicContact CD2-CD1 4Å; L603-Y607 HydrophobicContact CD2-CE1 4.07Å; S604-Y607 PolarHBondContact O-N 3.48Å; S604-Y607 VanDerWaalsContact OG-CB 3.27Å; S604-Y607 WeakPolarHBondContact OG-CB 3.48Å; S604-Y607 PolarHBondContact OG-N 3.3Å; Y607-Q609 PolarHBondContact O-N 3.43Å; Y607-M610 PolarHBondContact O-N 3.2Å; Y607-W611 WeakPolarHBondContact O-CB 3.12Å; Y607-W611 PolarHBondContact O-N 3.39Å; Y607-V636 HydrophobicContact CE1-CG2 4.26Å |
| 608 | Y | 89.1 | Confident | 88.8 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 178.9 | 177.4 | -100.3 | 0 | 0 | 0 | 111.9 | L532 I547 I555 S604 E605 M610 W611 Q612 | L532-Y608 HydrophobicContact CB-CE1 4.49Å; L532-Y608 HydrophobicContact CB-CE2 4.13Å; L532-Y608 WeakPolarHBondContact CB-OH 3.31Å; L532-Y608 HydrophobicContact CD1-CD1 4.31Å; L532-Y608 HydrophobicContact CD1-CE1 3.91Å; L532-Y608 HydrophobicContact CD1-CE2 4.21Å; L532-Y608 HydrophobicContact CD2-CE1 4.2Å; L532-Y608 HydrophobicContact CG-CE1 4.43Å; L532-Y608 PolarHBondContact O-OH 3.16Å; I547-Y608 HydrophobicContact CD1-CD2 4.44Å; I547-Y608 HydrophobicContact CD1-CE2 4.17Å; I547-Y608 HydrophobicContact CG2-CD2 4.11Å; I547-Y608 HydrophobicContact CG2-CE2 3.92Å; I555-Y608 HydrophobicContact CD1-CD1 3.92Å; I555-Y608 HydrophobicContact CD1-CG 3.96Å; S604-Y608 PolarHBondContact O-N 2.9Å; E605-Y608 PolarHBondContact O-N 3.3Å; Y608-M610 VanDerWaalsContact C-N 3.33Å; Y608-M610 PolarHBondContact O-N 2.96Å; Y608-W611 HydrophobicContact CD2-CE3 4.25Å; Y608-W611 AromaticContact CE2-CE3 4Å; Y608-W611 HydrophobicContact CE2-CE3 4Å; Y608-W611 HydrophobicContact CE2-CZ3 4.09Å; Y608-W611 PolarHBondContact O-N 2.86Å; Y608-Q612 HydrophobicContact CE1-CB 4.3Å; Y608-Q612 WeakPolarHBondContact O-CB 3.33Å; Y608-Q612 PolarHBondContact O-N 3.03Å |
| 609 | Q | 88.8 | Confident | 87.8 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 177.8 | -72.4 | 179.3 | 13.2 | 0 | 0 | 112.8 | E605 Y607 K613 | E605-Q609 WeakPolarHBondContact O-CG 3.29Å; E605-Q609 PolarHBondContact O-N 3.5Å; E605-Q609 PolarHBondContact OE1-NE2 2.92Å; E605-Q609 VanDerWaalsContact OE1-NE2 3.15Å; Y607-Q609 PolarHBondContact O-N 3.43Å; Q609-K613 WeakPolarHBondContact O-CG 3.44Å; Q609-K613 PolarHBondContact O-N 2.79Å |
| 610 | M | 90.3 | Very high | 86.9 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 173.2 | -73.2 | -177.1 | 67.8 | 0 | 0 | 111.4 | E606 Y607 Y608 K613 K614 | E606-M610 PolarHBondContact O-N 2.79Å; Y607-M610 PolarHBondContact O-N 3.2Å; Y608-M610 VanDerWaalsContact C-N 3.33Å; Y608-M610 PolarHBondContact O-N 2.96Å; M610-K613 PolarHBondContact O-N 3.42Å; M610-K614 PolarHBondContact O-N 2.9Å |
| 611 | W | 90.7 | Very high | 86.3 | Confident | 3 Ų | 3 | 76.2 Ų | 76.2 | 1% | 0.011 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 178.5 | -177.4 | 87.3 | 0 | 0 | 0 | 112.2 | A533 I547 Y607 Y608 K613 K614 L615 L632 Y633 V636 | A533-W611 HydrophobicContact CB-CH2 4.22Å; A533-W611 HydrophobicContact CB-CZ3 4.16Å; I547-W611 HydrophobicContact CD1-CE3 4.3Å; I547-W611 HydrophobicContact CD1-CH2 3.88Å; I547-W611 HydrophobicContact CD1-CZ3 3.73Å; Y607-W611 WeakPolarHBondContact O-CB 3.12Å; Y607-W611 PolarHBondContact O-N 3.39Å; Y608-W611 HydrophobicContact CD2-CE3 4.25Å; Y608-W611 AromaticContact CE2-CE3 4Å; Y608-W611 HydrophobicContact CE2-CE3 4Å; Y608-W611 HydrophobicContact CE2-CZ3 4.09Å; Y608-W611 PolarHBondContact O-N 2.86Å; W611-K613 VanDerWaalsContact C-N 3.33Å; W611-K613 PolarHBondContact O-N 2.87Å; W611-K614 WeakPolarHBondContact O-CB 3.22Å; W611-K614 PolarHBondContact O-N 3.38Å; W611-K614 VanDerWaalsContact O-N 3.14Å; W611-L615 HydrophobicContact CH2-CD1 4.43Å; W611-L615 HydrophobicContact CH2-CD2 3.79Å; W611-L615 HydrophobicContact CZ3-CD2 3.78Å; W611-L615 PolarHBondContact O-N 3.46Å; W611-L632 PolarHBondContact NE1-O 3.16Å; W611-L632 VanDerWaalsContact NE1-O 3.15Å; W611-Y633 HydrophobicContact CZ2-CD1 4.16Å; W611-Y633 HydrophobicContact CZ2-CE1 4.43Å; W611-V636 HydrophobicContact CZ2-CB 4.41Å; W611-V636 HydrophobicContact CZ2-CG1 3.83Å |
| 612 | Q | 85.4 | Confident | 85.2 | Confident | 92 Ų | 92 | 82.1 Ų | 82.1 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 177.3 | -169.7 | -177.9 | 29.1 | 0 | 0 | 112 | Y608 L615 H616 | Y608-Q612 HydrophobicContact CE1-CB 4.3Å; Y608-Q612 WeakPolarHBondContact O-CB 3.33Å; Y608-Q612 PolarHBondContact O-N 3.03Å; Q612-L615 PolarHBondContact O-N 3.26Å; Q612-H616 WeakPolarHBondContact O-CB 3.33Å; Q612-H616 PolarHBondContact O-N 3.31Å |
| 613 | K | 87.1 | Confident | 84.5 | Confident | 160 Ų | 160 | 85.7 Ų | 85.7 | 70% | 0.696 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.6 | -42.5 | 173.3 | -73.9 | 176 | -176.7 | 174.8 | 0 | 111.9 | Q609 M610 W611 H616 Y617 | Q609-K613 WeakPolarHBondContact O-CG 3.44Å; Q609-K613 PolarHBondContact O-N 2.79Å; M610-K613 PolarHBondContact O-N 3.42Å; W611-K613 VanDerWaalsContact C-N 3.33Å; W611-K613 PolarHBondContact O-N 2.87Å; K613-H616 PolarHBondContact O-N 3.29Å; K613-Y617 PolarHBondContact O-N 3.19Å |
| 614 | K | 85.7 | Confident | 83.7 | Confident | 87 Ų | 87 | 90 Ų | 90 | 38% | 0.378 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.9 | -68.9 | -179.9 | 178.6 | -177.8 | 0 | 111.1 | M610 W611 H616 Y617 V618 L632 E635 | M610-K614 PolarHBondContact O-N 2.9Å; W611-K614 WeakPolarHBondContact O-CB 3.22Å; W611-K614 PolarHBondContact O-N 3.38Å; W611-K614 VanDerWaalsContact O-N 3.14Å; K614-H616 PolarHBondContact O-N 2.71Å; K614-Y617 WeakPolarHBondContact O-CB 3.34Å; K614-Y617 PolarHBondContact O-N 2.9Å; K614-V618 WeakPolarHBondContact O-CG2 3.13Å; K614-V618 PolarHBondContact O-N 3.3Å; K614-L632 HydrophobicContact CB-CD1 3.86Å; K614-L632 HydrophobicContact CB-CD2 4.28Å; K614-L632 HydrophobicContact CD-CD1 3.9Å; K614-E635 VanDerWaalsContact NZ-CD 3.32Å; K614-E635 IonicContact NZ-OE1 3.09Å; K614-E635 PolarHBondContact NZ-OE1 2.86Å; K614-E635 IonicContact NZ-OE2 3.7Å; K614-E635 PolarHBondContact NZ-OE2 3.27Å |
| 615 | L | 82.8 | Confident | 82.9 | Confident | 35 Ų | 35 | 91 Ų | 91 | 18% | 0.183 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 178.6 | -176.7 | 69 | 0 | 0 | 0 | 111.3 | W611 Q612 Y617 V618 S619 L629 L632 Y633 | W611-L615 HydrophobicContact CH2-CD1 4.43Å; W611-L615 HydrophobicContact CH2-CD2 3.79Å; W611-L615 HydrophobicContact CZ3-CD2 3.78Å; W611-L615 PolarHBondContact O-N 3.46Å; Q612-L615 PolarHBondContact O-N 3.26Å; L615-Y617 VanDerWaalsContact C-N 3.34Å; L615-Y617 PolarHBondContact O-N 3.44Å; L615-V618 PolarHBondContact O-N 3.2Å; L615-S619 WeakPolarHBondContact O-CB 3.16Å; L615-S619 PolarHBondContact O-N 2.72Å; L615-S619 PolarHBondContact O-OG 3.25Å; L615-L629 HydrophobicContact CD1-CD2 3.78Å; L615-L632 HydrophobicContact CB-CD2 3.8Å; L615-L632 HydrophobicContact CD1-CD2 3.76Å; L615-L632 HydrophobicContact CG-CD2 4.42Å; L615-Y633 HydrophobicContact CD1-CE1 3.81Å |
| 616 | H | 79.6 | Confident | 82.3 | Confident | 134 Ų | 134 | 94.1 Ų | 94.1 | 62% | 0.62 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.1 | -45.5 | 177 | -172.6 | 63.5 | 0 | 0 | 0 | 111.3 | Q612 K613 K614 S619 T620 | Q612-H616 WeakPolarHBondContact O-CB 3.33Å; Q612-H616 PolarHBondContact O-N 3.31Å; K613-H616 PolarHBondContact O-N 3.29Å; K614-H616 PolarHBondContact O-N 2.71Å; H616-S619 PolarHBondContact O-N 3.1Å; H616-S619 PolarHBondContact O-OG 2.99Å; H616-T620 WeakPolarHBondContact O-CG2 3.41Å; H616-T620 PolarHBondContact O-N 2.8Å |
| 617 | Y | 82.6 | Confident | 81.9 | Confident | 160 Ų | 160 | 93 Ų | 93 | 63% | 0.627 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58 | -53 | 175.8 | 176.7 | -99.4 | 0 | 0 | 0 | 112 | K613 K614 L615 S619 T620 V621 | K613-Y617 PolarHBondContact O-N 3.19Å; K614-Y617 WeakPolarHBondContact O-CB 3.34Å; K614-Y617 PolarHBondContact O-N 2.9Å; L615-Y617 VanDerWaalsContact C-N 3.34Å; L615-Y617 PolarHBondContact O-N 3.44Å; Y617-S619 VanDerWaalsContact C-N 3.27Å; Y617-S619 PolarHBondContact O-N 2.76Å; Y617-T620 PolarHBondContact O-N 2.83Å; Y617-T620 VanDerWaalsContact O-N 3.09Å; Y617-T620 PolarHBondContact O-OG1 2.96Å; Y617-V621 HydrophobicContact CE1-CG2 4.45Å |
| 618 | V | 81.3 | Confident | 81.5 | Confident | 15 Ų | 15 | 93.5 Ų | 93.5 | 9% | 0.091 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61.8 | -36 | -179.6 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | K614 L615 T620 V621 Q628 L629 L632 | K614-V618 WeakPolarHBondContact O-CG2 3.13Å; K614-V618 PolarHBondContact O-N 3.3Å; L615-V618 PolarHBondContact O-N 3.2Å; V618-T620 PolarHBondContact O-N 3.01Å; V618-V621 WeakPolarHBondContact O-CB 3.48Å; V618-V621 PolarHBondContact O-N 3.25Å; V618-V621 VanDerWaalsContact O-N 3.15Å; V618-Q628 HydrophobicContact CG1-CB 3.6Å; V618-L629 HydrophobicContact CB-CD2 4.3Å; V618-L629 HydrophobicContact CG1-CD2 3.69Å; V618-L629 HydrophobicContact CG1-CG 3.75Å; V618-L632 HydrophobicContact CG2-CD2 4.47Å |
| 619 | S | 72.6 | Confident | 81.1 | Confident | 57 Ų | 57 | 94.4 Ų | 94.4 | 40% | 0.399 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.6 | -21.5 | 178.1 | 74.4 | 0 | 0 | 0 | 0 | 114 | L615 H616 Y617 | L615-S619 WeakPolarHBondContact O-CB 3.16Å; L615-S619 PolarHBondContact O-N 2.72Å; L615-S619 PolarHBondContact O-OG 3.25Å; H616-S619 PolarHBondContact O-N 3.1Å; H616-S619 PolarHBondContact O-OG 2.99Å; Y617-S619 VanDerWaalsContact C-N 3.27Å; Y617-S619 PolarHBondContact O-N 2.76Å |
| 620 | T | 76.1 | Confident | 80.9 | Confident | 87 Ų | 87 | 91.9 Ų | 91.9 | 53% | 0.534 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -7.4 | 178.4 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | H616 Y617 V618 | H616-T620 WeakPolarHBondContact O-CG2 3.41Å; H616-T620 PolarHBondContact O-N 2.8Å; Y617-T620 PolarHBondContact O-N 2.83Å; Y617-T620 VanDerWaalsContact O-N 3.09Å; Y617-T620 PolarHBondContact O-OG1 2.96Å; V618-T620 PolarHBondContact O-N 3.01Å |
| 621 | V | 81.2 | Confident | 80.7 | Confident | 35 Ų | 35 | 88.8 Ų | 88.8 | 21% | 0.212 | 44% | 0.443 | C | S | . | . | trans | -77.1 | 136.3 | -178.7 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | Y617 V618 E623 | Y617-V621 HydrophobicContact CE1-CG2 4.45Å; V618-V621 WeakPolarHBondContact O-CB 3.48Å; V618-V621 PolarHBondContact O-N 3.25Å; V618-V621 VanDerWaalsContact O-N 3.15Å; V621-E623 WeakPolarHBondContact CG1-O 3.43Å | ||
| 622 | I | 72 | Confident | 80.5 | Confident | 167 Ų | 167 | 89 Ų | 89 | 86% | 0.856 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -88 | -38.3 | -176.6 | -58.6 | 173.9 | 0 | 0 | 0 | 112.2 | ||
| 623 | E | 75.8 | Confident | 80.7 | Confident | 161 Ų | 161 | 86.8 Ų | 86.8 | 75% | 0.752 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -101.9 | 140.5 | -179.4 | -67.9 | -174.5 | 166.1 | 0 | 0 | 112.1 | V621 R625 | V621-E623 WeakPolarHBondContact CG1-O 3.43Å; E623-R625 PolarHBondContact O-N 2.72Å; E623-R625 VanDerWaalsContact O-N 3.09Å |
| 624 | N | 76.3 | Confident | 80.8 | Confident | 107 Ų | 107 | 83 Ų | 83 | 57% | 0.572 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 52.5 | 27.6 | -179.4 | -66.8 | -0 | 0 | 0 | 0 | 115.3 | E626 E627 Q628 | N624-E626 VanDerWaalsContact C-N 3.31Å; N624-E626 PolarHBondContact O-N 2.78Å; N624-E627 PolarHBondContact O-N 3.25Å; N624-Q628 WeakPolarHBondContact O-CG 3.27Å; N624-Q628 PolarHBondContact O-N 3.43Å; N624-Q628 VanDerWaalsContact O-N 3.16Å |
| 625 | R | 75.9 | Confident | 81 | Confident | 90 Ų | 90 | 82.2 Ų | 82.2 | 34% | 0.34 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -53.2 | -45.9 | 179.9 | -172.7 | -179.1 | 68.5 | 128.4 | 2.5 | 112.5 | E623 Q628 L629 | E623-R625 PolarHBondContact O-N 2.72Å; E623-R625 VanDerWaalsContact O-N 3.09Å; R625-Q628 PolarHBondContact O-N 2.82Å; R625-L629 HydrophobicContact CG-CD1 3.97Å; R625-L629 HydrophobicContact CG-CG 4.47Å; R625-L629 WeakPolarHBondContact O-CB 3.38Å; R625-L629 VanDerWaalsContact O-CG 3.27Å; R625-L629 WeakPolarHBondContact O-CG 3.17Å; R625-L629 PolarHBondContact O-N 3.11Å |
| 626 | E | 75.2 | Confident | 81.4 | Confident | 134 Ų | 134 | 80.6 Ų | 80.6 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.4 | -40.8 | -175 | -64.4 | -172.3 | 174.3 | 0 | 0 | 113 | N624 L629 A630 | N624-E626 VanDerWaalsContact C-N 3.31Å; N624-E626 PolarHBondContact O-N 2.78Å; E626-L629 PolarHBondContact O-N 2.96Å; E626-A630 WeakPolarHBondContact O-CB 3.39Å; E626-A630 PolarHBondContact O-N 3.14Å |
| 627 | E | 80.9 | Confident | 82 | Confident | 136 Ų | 136 | 74.2 Ų | 74.2 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67.6 | -42.1 | 177.6 | -68.3 | -178.7 | 169.5 | 0 | 0 | 111.6 | N624 A630 A631 | N624-E627 PolarHBondContact O-N 3.25Å; E627-A630 PolarHBondContact O-N 3.02Å; E627-A631 PolarHBondContact O-N 3.23Å |
| 628 | Q | 81.3 | Confident | 82.4 | Confident | 79 Ų | 79 | 72.1 Ų | 72.1 | 37% | 0.369 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 177.4 | -68.2 | -177.1 | 14.3 | 0 | 0 | 112.2 | V618 N624 R625 A631 L632 | V618-Q628 HydrophobicContact CG1-CB 3.6Å; N624-Q628 WeakPolarHBondContact O-CG 3.27Å; N624-Q628 PolarHBondContact O-N 3.43Å; N624-Q628 VanDerWaalsContact O-N 3.16Å; R625-Q628 PolarHBondContact O-N 2.82Å; Q628-A631 PolarHBondContact O-N 3.31Å; Q628-L632 WeakPolarHBondContact O-CB 3.48Å; Q628-L632 PolarHBondContact O-N 3.38Å; Q628-L632 VanDerWaalsContact O-N 3.08Å |
| 629 | L | 82.1 | Confident | 82.8 | Confident | 24 Ų | 24 | 73 Ų | 73 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 172.4 | -76.1 | 172.5 | 0 | 0 | 0 | 111.1 | L615 V618 R625 E626 A631 L632 Y633 | L615-L629 HydrophobicContact CD1-CD2 3.78Å; V618-L629 HydrophobicContact CB-CD2 4.3Å; V618-L629 HydrophobicContact CG1-CD2 3.69Å; V618-L629 HydrophobicContact CG1-CG 3.75Å; R625-L629 HydrophobicContact CG-CD1 3.97Å; R625-L629 HydrophobicContact CG-CG 4.47Å; R625-L629 WeakPolarHBondContact O-CB 3.38Å; R625-L629 VanDerWaalsContact O-CG 3.27Å; R625-L629 WeakPolarHBondContact O-CG 3.17Å; R625-L629 PolarHBondContact O-N 3.11Å; E626-L629 PolarHBondContact O-N 2.96Å; L629-A631 VanDerWaalsContact C-N 3.35Å; L629-A631 PolarHBondContact O-N 2.71Å; L629-L632 PolarHBondContact O-N 2.99Å; L629-Y633 HydrophobicContact CB-CE2 4.45Å; L629-Y633 WeakPolarHBondContact O-CB 3.5Å; L629-Y633 WeakPolarHBondContact O-CD1 3.49Å; L629-Y633 PolarHBondContact O-N 3.37Å |
| 630 | A | 83.2 | Confident | 83.8 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 33% | 0.331 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | E626 E627 L632 Y633 E634 | E626-A630 WeakPolarHBondContact O-CB 3.39Å; E626-A630 PolarHBondContact O-N 3.14Å; E627-A630 PolarHBondContact O-N 3.02Å; A630-L632 PolarHBondContact O-N 3.21Å; A630-Y633 PolarHBondContact O-N 3.48Å; A630-E634 PolarHBondContact O-N 3.25Å |
| 631 | A | 86.3 | Confident | 84.6 | Confident | 61 Ų | 61 | 70.7 Ų | 70.7 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E627 Q628 L629 Y633 E634 E635 | E627-A631 PolarHBondContact O-N 3.23Å; Q628-A631 PolarHBondContact O-N 3.31Å; L629-A631 VanDerWaalsContact C-N 3.35Å; L629-A631 PolarHBondContact O-N 2.71Å; A631-Y633 VanDerWaalsContact C-N 3.35Å; A631-E634 PolarHBondContact O-N 3.48Å; A631-E635 PolarHBondContact O-N 3.44Å |
| 632 | L | 88.2 | Confident | 85.1 | Confident | 9 Ų | 9 | 69.5 Ų | 69.5 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.3 | -34.6 | 177.7 | -176.3 | 67.7 | 0 | 0 | 0 | 112.7 | W611 K614 L615 V618 Q628 L629 A630 E635 V636 | W611-L632 PolarHBondContact NE1-O 3.16Å; W611-L632 VanDerWaalsContact NE1-O 3.15Å; K614-L632 HydrophobicContact CB-CD1 3.86Å; K614-L632 HydrophobicContact CB-CD2 4.28Å; K614-L632 HydrophobicContact CD-CD1 3.9Å; L615-L632 HydrophobicContact CB-CD2 3.8Å; L615-L632 HydrophobicContact CD1-CD2 3.76Å; L615-L632 HydrophobicContact CG-CD2 4.42Å; V618-L632 HydrophobicContact CG2-CD2 4.47Å; Q628-L632 WeakPolarHBondContact O-CB 3.48Å; Q628-L632 PolarHBondContact O-N 3.38Å; Q628-L632 VanDerWaalsContact O-N 3.08Å; L629-L632 PolarHBondContact O-N 2.99Å; A630-L632 PolarHBondContact O-N 3.21Å; L632-E635 PolarHBondContact O-N 3.31Å; L632-V636 PolarHBondContact O-N 3.38Å |
| 633 | Y | 89.3 | Confident | 86.1 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 173.4 | -69.8 | -10.1 | 0 | 0 | 0 | 111.6 | L535 W611 L615 L629 A630 A631 V636 E637 | L535-Y633 HydrophobicContact CD2-CD1 3.4Å; L535-Y633 HydrophobicContact CD2-CD2 4.2Å; L535-Y633 HydrophobicContact CD2-CE1 4.04Å; L535-Y633 HydrophobicContact CD2-CG 3.49Å; L535-Y633 VanDerWaalsContact CD2-CG 3.49Å; L535-Y633 HydrophobicContact CG-CD1 3.93Å; L535-Y633 HydrophobicContact CG-CE1 4.05Å; L535-Y633 HydrophobicContact CG-CG 4.19Å; W611-Y633 HydrophobicContact CZ2-CD1 4.16Å; W611-Y633 HydrophobicContact CZ2-CE1 4.43Å; L615-Y633 HydrophobicContact CD1-CE1 3.81Å; L629-Y633 HydrophobicContact CB-CE2 4.45Å; L629-Y633 WeakPolarHBondContact O-CB 3.5Å; L629-Y633 WeakPolarHBondContact O-CD1 3.49Å; L629-Y633 PolarHBondContact O-N 3.37Å; A630-Y633 PolarHBondContact O-N 3.48Å; A631-Y633 VanDerWaalsContact C-N 3.35Å; Y633-V636 VanDerWaalsContact O-CG1 3.28Å; Y633-V636 WeakPolarHBondContact O-CG1 3.44Å; Y633-E637 WeakPolarHBondContact O-CB 3.43Å; Y633-E637 VanDerWaalsContact O-CG 3.23Å; Y633-E637 WeakPolarHBondContact O-CG 3.39Å; Y633-E637 PolarHBondContact O-N 3.22Å |
| 634 | E | 88.4 | Confident | 86.9 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 175.1 | -159.3 | 133.4 | -108 | 0 | 0 | 111.9 | R543 H569 A630 A631 V636 E637 Q638 | R543-E634 IonicContact CZ-OE1 3.19Å; R543-E634 IonicContact NH1-OE1 2.74Å; R543-E634 IonicContact NH2-OE1 2.77Å; R543-E634 PolarHBondContact NH2-OE1 2.91Å; H569-E634 IonicContact NE2-OE1 3.98Å; H569-E634 PolarHBondContact NE2-OE1 2.81Å; A630-E634 PolarHBondContact O-N 3.25Å; A631-E634 PolarHBondContact O-N 3.48Å; E634-V636 PolarHBondContact O-N 2.8Å; E634-E637 PolarHBondContact O-N 3.41Å; E634-Q638 PolarHBondContact O-N 3.47Å |
| 635 | E | 90.3 | Very high | 87.7 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.7 | -45.7 | 177.3 | -172 | -171.3 | 153.5 | 0 | 0 | 112.4 | K614 A631 L632 | K614-E635 VanDerWaalsContact NZ-CD 3.32Å; K614-E635 IonicContact NZ-OE1 3.09Å; K614-E635 PolarHBondContact NZ-OE1 2.86Å; K614-E635 IonicContact NZ-OE2 3.7Å; K614-E635 PolarHBondContact NZ-OE2 3.27Å; A631-E635 PolarHBondContact O-N 3.44Å; L632-E635 PolarHBondContact O-N 3.31Å |
| 636 | V | 91.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.9 | -28.3 | -177.2 | 65.6 | 0 | 0 | 0 | 0 | 112.7 | L535 I547 L557 K601 L603 Y607 W611 L632 Y633 E634 | L535-V636 HydrophobicContact CD2-CG1 4.06Å; I547-V636 HydrophobicContact CD1-CG2 4.41Å; L557-V636 HydrophobicContact CD2-CG2 4.42Å; K601-V636 PolarHBondContact NZ-O 3.2Å; L603-V636 HydrophobicContact CD1-CG2 4.14Å; L603-V636 HydrophobicContact CD2-CG2 4.37Å; Y607-V636 HydrophobicContact CE1-CG2 4.26Å; W611-V636 HydrophobicContact CZ2-CB 4.41Å; W611-V636 HydrophobicContact CZ2-CG1 3.83Å; L632-V636 PolarHBondContact O-N 3.38Å; Y633-V636 VanDerWaalsContact O-CG1 3.28Å; Y633-V636 WeakPolarHBondContact O-CG1 3.44Å; E634-V636 PolarHBondContact O-N 2.8Å |
| 637 | E | 91.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -84.1 | -3 | -175.8 | -70.2 | 170.5 | 161.6 | 0 | 0 | 114.1 | R541 R543 S545 L557 Y633 E634 M640 | R541-E637 IonicContact CZ-OE1 3.77Å; R541-E637 IonicContact CZ-OE2 3.46Å; R541-E637 IonicContact NH2-OE1 2.81Å; R541-E637 PolarHBondContact NH2-OE1 3.31Å; R541-E637 IonicContact NH2-OE2 3.81Å; R541-E637 PolarHBondContact NH2-OE2 3.24Å; R543-E637 IonicContact CZ-OE2 2.72Å; R543-E637 VanDerWaalsContact CZ-OE2 3.22Å; R543-E637 IonicContact NE-OE2 2.76Å; R543-E637 PolarHBondContact NE-OE2 3.38Å; R543-E637 IonicContact NH2-OE2 3.25Å; R543-E637 PolarHBondContact NH2-OE2 2.8Å; S545-E637 VanDerWaalsContact CB-OE1 3.31Å; S545-E637 WeakPolarHBondContact CB-OE1 3.37Å; S545-E637 PolarHBondContact OG-OE1 3.04Å; L557-E637 HydrophobicContact CD2-CG 4.35Å; Y633-E637 WeakPolarHBondContact O-CB 3.43Å; Y633-E637 VanDerWaalsContact O-CG 3.23Å; Y633-E637 WeakPolarHBondContact O-CG 3.39Å; Y633-E637 PolarHBondContact O-N 3.22Å; E634-E637 PolarHBondContact O-N 3.41Å; E637-M640 HydrophobicContact CB-SD 4.48Å; E637-M640 VanDerWaalsContact O-CE 3.31Å; E637-M640 WeakPolarHBondContact O-CE 3.05Å; E637-M640 VanDerWaalsContact O-CG 3.27Å; E637-M640 WeakPolarHBondContact O-CG 3.35Å |
| 638 | Q | 90.8 | Very high | 89.7 | Confident | 116 Ų | 116 | 32.2 Ų | 32.2 | 54% | 0.542 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -75.6 | 140.3 | 175.3 | -74.1 | 180 | 0.2 | 0 | 0 | 112.8 | K601 E634 | K601-Q638 WeakPolarHBondContact CE-O 3.34Å; K601-Q638 PolarHBondContact NZ-O 3.3Å; E634-Q638 PolarHBondContact O-N 3.47Å |
| 639 | G | 90.3 | Very high | 90 | Very high | 32 Ų | 32 | 31.9 Ų | 31.9 | 33% | 0.33 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 75 | 46.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | H569 | H569-G639 PolarHBondContact O-N 3Š|
| 640 | M | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 156.3 | 176.4 | -60.4 | -179.1 | -68.2 | 0 | 0 | 111.7 | L557 C559 I566 H569 L570 D571 A599 K601 E637 | L557-M640 HydrophobicContact CD2-SD 4.33Å; C559-M640 HydrophobicContact CB-CE 4.33Å; C559-M640 HydrophobicContact CB-SD 3.57Å; C559-M640 VanDerWaalsContact CB-SD 3.57Å; I566-M640 HydrophobicContact CD1-CE 4.15Å; H569-M640 HydrophobicContact CB-CE 3.7Å; H569-M640 PolarHBondContact O-N 3.36Å; L570-M640 CarbonylContact C-O 3.23Å; L570-M640 VanDerWaalsContact CA-O 3.31Å; L570-M640 WeakPolarHBondContact CA-O 3.44Å; L570-M640 HydrophobicContact CD2-CB 4.48Å; L570-M640 WeakPolarHBondContact CD2-O 3.35Å; D571-M640 PolarHBondContact N-O 2.92Å; A599-M640 HydrophobicContact CB-CB 3.92Å; A599-M640 HydrophobicContact CB-CE 4.33Å; A599-M640 HydrophobicContact CB-SD 4.24Å; K601-M640 HydrophobicContact CB-CG 4.15Å; K601-M640 HydrophobicContact CD-CG 4.46Å; E637-M640 HydrophobicContact CB-SD 4.48Å; E637-M640 VanDerWaalsContact O-CE 3.31Å; E637-M640 WeakPolarHBondContact O-CE 3.05Å; E637-M640 VanDerWaalsContact O-CG 3.27Å; E637-M640 WeakPolarHBondContact O-CG 3.35Å |
| 641 | K | 92.3 | Very high | 90.3 | Very high | 96 Ų | 96 | 32.2 Ų | 32.2 | 42% | 0.417 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 136 | 171.8 | -67.5 | -176.8 | 179 | 178.3 | 0 | 110.6 | A599 Y600 | A599-K641 CarbonylContact C-O 3.6Å; A599-K641 VanDerWaalsContact CA-O 3.24Å; A599-K641 WeakPolarHBondContact CA-O 3.23Å; A599-K641 WeakPolarHBondContact CB-O 3.11Å; Y600-K641 HydrophobicContact CD1-CB 4.35Å; Y600-K641 HydrophobicContact CE1-CB 3.92Å; Y600-K641 PolarHBondContact N-O 3.41Å; Y600-K641 PolarHBondContact O-N 3.26Å |
| 642 | L | 93.3 | Very high | 90.4 | Very high | 11 Ų | 11 | 30.8 Ų | 30.8 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 127.9 | 178.5 | -175.3 | 63 | 0 | 0 | 0 | 109.9 | F567 L570 L577 M578 T581 | F567-L642 HydrophobicContact CE1-CD1 4.16Å; F567-L642 HydrophobicContact CE1-CD2 4.03Å; L570-L642 HydrophobicContact CD1-CB 3.85Å; L570-L642 HydrophobicContact CD1-CD1 4.36Å; L570-L642 HydrophobicContact CD1-CD2 4.08Å; L570-L642 HydrophobicContact CD1-CG 4.33Å; L570-L642 HydrophobicContact CD2-CB 3.8Å; L570-L642 HydrophobicContact CD2-CD1 4.5Å; L577-L642 HydrophobicContact CD2-CB 3.98Å; L577-L642 HydrophobicContact CD2-CD2 3.58Å; L577-L642 HydrophobicContact CD2-CG 3.66Å; M578-L642 HydrophobicContact CB-CD2 4.3Å; T581-L642 HydrophobicContact CG2-CD2 4.41Å |
| 643 | L | 91.9 | Very high | 90.4 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -37.9 | 177.6 | -166.3 | 65.4 | 0 | 0 | 0 | 111.2 | N410 D466 F467 L470 L598 Y600 | N410-L643 PolarHBondContact N-O 3.28Å; D466-L643 HydrophobicContact CB-CD1 4.21Å; F467-L643 VanDerWaalsContact CA-CD2 3.42Å; F467-L643 HydrophobicContact CB-CD2 4Å; F467-L643 HydrophobicContact CB-CG 4.25Å; F467-L643 HydrophobicContact CD2-CD2 4.47Å; F467-L643 HydrophobicContact CD2-CG 4.48Å; L470-L643 HydrophobicContact CB-CD2 4.39Å; L470-L643 HydrophobicContact CD1-CD2 3.87Å; L598-L643 WeakPolarHBondContact O-CB 3.29Å; L598-L643 PolarHBondContact O-N 3.47Å; Y600-L643 HydrophobicContact CD1-CB 4.23Å; Y600-L643 HydrophobicContact CD1-CD1 4.07Å; Y600-L643 HydrophobicContact CE1-CD1 3.95Å |
| 644 | G | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.7 | -159.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | S408 L598 | S408-G644 CarbonylContact O-C 3.58Å; S408-G644 WeakPolarHBondContact O-CA 3.18Å; L598-G644 PolarHBondContact N-O 3.21Å; L598-G644 PolarHBondContact O-N 2.96Å |
| 645 | A | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C407 S408 T581 L585 L596 | C407-A645 CarbonylContact C-O 3.54Å; C407-A645 VanDerWaalsContact CA-O 3.3Å; C407-A645 WeakPolarHBondContact CA-O 3.31Å; C407-A645 VanDerWaalsContact CB-O 3.32Å; C407-A645 WeakPolarHBondContact CB-O 3.21Å; S408-A645 PolarHBondContact N-O 3.09Å; S408-A645 PolarHBondContact O-N 2.9Å; T581-A645 HydrophobicContact CG2-CB 3.79Å; L585-A645 HydrophobicContact CD1-CB 4.4Å; L585-A645 HydrophobicContact CD2-CB 3.58Å; L585-A645 HydrophobicContact CG-CB 3.98Å; L596-A645 CarbonylContact O-C 3.59Å; L596-A645 WeakPolarHBondContact O-CA 3.35Å |
| 646 | T | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 152.3 | 174.2 | 62.9 | 0 | 0 | 0 | 0 | 109.5 | F404 F467 L471 L499 T595 L596 L598 | F404-T646 HydrophobicContact CE2-CG2 4.09Å; F467-T646 HydrophobicContact CE1-CG2 4.4Å; F467-T646 HydrophobicContact CE2-CG2 4.04Å; F467-T646 HydrophobicContact CZ-CG2 3.49Å; F467-T646 VanDerWaalsContact CZ-CG2 3.49Å; L471-T646 HydrophobicContact CD1-CG2 4.36Å; L471-T646 HydrophobicContact CD2-CG2 4.02Å; L499-T646 HydrophobicContact CD2-CG2 3.94Å; T595-T646 VanDerWaalsContact CA-O 3.31Å; T595-T646 WeakPolarHBondContact CA-O 3.42Å; L596-T646 WeakPolarHBondContact CB-OG1 3.37Å; L596-T646 PolarHBondContact N-O 3.44Å; L596-T646 PolarHBondContact O-N 3.4Å; L598-T646 HydrophobicContact CD1-CG2 3.74Å; L598-T646 HydrophobicContact CD2-CG2 4.44Å; L598-T646 HydrophobicContact CG-CG2 4.19Å |
| 647 | A | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 119.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S405 K406 F588 L593 R594 | S405-A647 PolarHBondContact N-O 3.09Å; K406-A647 HydrophobicContact CB-CB 4.01Å; K406-A647 PolarHBondContact N-O 3.01Å; K406-A647 WeakPolarHBondContact O-CB 3.44Å; K406-A647 PolarHBondContact O-N 3.01Å; F588-A647 HydrophobicContact CB-CB 4.08Å; F588-A647 HydrophobicContact CD2-CB 3.68Å; F588-A647 HydrophobicContact CE2-CB 4.22Å; F588-A647 HydrophobicContact CG-CB 3.85Å; L593-A647 HydrophobicContact CB-CB 4.03Å; L593-A647 HydrophobicContact CD1-CB 3.83Å; R594-A647 CarbonylContact O-C 3.43Å; R594-A647 WeakPolarHBondContact O-CA 3.38Å |
| 648 | I | 89.7 | Confident | 90 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.7 | -177.4 | -56.1 | 172.8 | 0 | 0 | 0 | 108.1 | M402 V403 D495 A498 L499 R594 L596 | M402-I648 HydrophobicContact CB-CG2 3.86Å; V403-I648 WeakPolarHBondContact O-CA 3.3Å; D495-I648 HydrophobicContact CB-CD1 3.85Å; A498-I648 HydrophobicContact CB-CG2 4.45Å; L499-I648 HydrophobicContact CD1-CD1 4.23Å; L499-I648 HydrophobicContact CD2-CD1 3.9Å; L499-I648 HydrophobicContact CD2-CG1 4.2Å; L499-I648 HydrophobicContact CG-CD1 3.85Å; R594-I648 HydrophobicContact CB-CB 4.44Å; R594-I648 PolarHBondContact N-O 3.12Å; R594-I648 PolarHBondContact O-N 3.34Å; L596-I648 HydrophobicContact CD1-CD1 4.32Å |
| 649 | E | 86.4 | Confident | 90.1 | Very high | 72 Ų | 72 | 27.8 Ų | 27.8 | 34% | 0.336 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 124.8 | 174 | -171.3 | -175.1 | -175 | 0 | 0 | 109.9 | M402 V403 L593 K651 | M402-E649 WeakPolarHBondContact CA-O 3.28Å; V403-E649 PolarHBondContact N-O 2.98Å; V403-E649 PolarHBondContact O-N 3.31Å; L593-E649 HydrophobicContact CD2-CB 3.68Å; L593-E649 HydrophobicContact CD2-CG 3.96Å; E649-K651 HydrophobicContact CG-CG 4.27Å; E649-K651 PolarHBondContact O-N 3.42Å |
| 650 | D | 86.1 | Confident | 90.1 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 99.8 | 163.3 | -174.9 | -2.2 | 0 | 0 | 0 | 107.7 | K393 T398 M402 R594 L652 I684 | K393-D650 IonicContact NZ-OD2 2.82Å; T398-D650 WeakPolarHBondContact CB-OD1 3.33Å; T398-D650 PolarHBondContact OG1-OD1 3.24Å; M402-D650 HydrophobicContact CE-CB 4.05Å; M402-D650 VanDerWaalsContact CE-CG 3.49Å; M402-D650 HydrophobicContact SD-CB 3.6Å; R594-D650 IonicContact CZ-OD2 2.72Å; R594-D650 IonicContact NH2-OD2 3.8Å; R594-D650 PolarHBondContact NH2-OD2 2.94Å; D650-L652 PolarHBondContact O-N 3.22Å; D650-I684 HydrophobicContact CB-CD1 3.99Å |
| 651 | K | 85.1 | Confident | 89.9 | Confident | 65 Ų | 65 | 28.7 Ų | 28.7 | 28% | 0.283 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 124.7 | -168.9 | -77.6 | -168.7 | 168.7 | -179.3 | 0 | 111.6 | T398 Q399 I401 V403 E649 | T398-K651 CarbonylContact C-O 3.58Å; T398-K651 WeakPolarHBondContact CA-O 3.44Å; Q399-K651 PolarHBondContact N-O 3.41Å; I401-K651 PolarHBondContact O-N 3Å; I401-K651 VanDerWaalsContact O-N 3.13Å; V403-K651 HydrophobicContact CG2-CD 3.75Å; V403-K651 VanDerWaalsContact CG2-CE 3.49Å; V403-K651 HydrophobicContact CG2-CG 4.18Å; E649-K651 HydrophobicContact CG-CG 4.27Å; E649-K651 PolarHBondContact O-N 3.42Å |
| 652 | L | 89.1 | Confident | 89.7 | Confident | 30 Ų | 30 | 25.6 Ų | 25.6 | 16% | 0.157 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 154.7 | 169 | -59.5 | -175.6 | 0 | 0 | 0 | 111 | L397 T398 Q399 D650 P657 I684 | L397-L652 CarbonylContact O-C 3.57Å; L397-L652 WeakPolarHBondContact O-CA 3.49Å; T398-L652 HydrophobicContact CG2-CD2 4.08Å; Q399-L652 PolarHBondContact NE2-O 3.12Å; D650-L652 PolarHBondContact O-N 3.22Å; L652-P657 HydrophobicContact CD1-CG 3.87Å; L652-I684 HydrophobicContact CD2-CD1 4.13Å; L652-I684 HydrophobicContact CD2-CG2 4.23Å |
| 653 | Q | 88.9 | Confident | 89.6 | Confident | 17 Ų | 17 | 25 Ų | 25 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 153.6 | 165.2 | -60.1 | -165.7 | 2.5 | 0 | 0 | 110.6 | G395 T396 L397 Q399 G655 V656 Q848 | G395-Q653 PolarHBondContact O-NE2 3Å; T396-Q653 PolarHBondContact O-NE2 2.93Å; T396-Q653 PolarHBondContact O-OE1 2.89Å; L397-Q653 PolarHBondContact O-N 3.45Å; Q399-Q653 HydrophobicContact CG-CB 4.37Å; Q399-Q653 HydrophobicContact CG-CG 3.91Å; Q653-G655 PolarHBondContact O-N 2.99Å; Q653-V656 HydrophobicContact CB-CG2 3.64Å; Q653-V656 WeakPolarHBondContact O-CG2 3.45Å; Q653-V656 PolarHBondContact O-N 2.94Å; Q653-Q848 VanDerWaalsContact OE1-CA 3.29Å |
| 654 | E | 87.6 | Confident | 89.4 | Confident | 96 Ų | 96 | 26.4 Ų | 26.4 | 45% | 0.449 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 127.7 | 179.1 | -165.7 | -165.4 | 157 | 0 | 0 | 110.7 | R850 | E654-R850 WeakPolarHBondContact O-CB 3.36Å; E654-R850 IonicContact OE1-CZ 2.7Å; E654-R850 IonicContact OE1-NH1 3.73Å; E654-R850 PolarHBondContact OE1-NH1 3.38Å; E654-R850 IonicContact OE1-NH2 3.93Å; E654-R850 IonicContact OE2-CZ 3.01Å; E654-R850 VanDerWaalsContact OE2-CZ 3.26Å; E654-R850 IonicContact OE2-NH1 2.96Å; E654-R850 PolarHBondContact OE2-NH1 3.21Å; E654-R850 IonicContact OE2-NH2 2.94Å; E654-R850 PolarHBondContact OE2-NH2 3.49Å |
| 655 | G | 85.9 | Confident | 89.2 | Confident | 22 Ų | 22 | 32 Ų | 32 | 23% | 0.227 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 9.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116 | Q653 E658 T659 | Q653-G655 PolarHBondContact O-N 2.99Å; G655-E658 WeakPolarHBondContact CA-OE2 3.42Å; G655-T659 VanDerWaalsContact O-CB 3.27Å; G655-T659 WeakPolarHBondContact O-CB 3.43Å; G655-T659 PolarHBondContact O-N 3.42Å; G655-T659 PolarHBondContact O-OG1 2.97Å |
| 656 | V | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -51.6 | -177.9 | 167.8 | 0 | 0 | 0 | 0 | 112.8 | L397 Q653 E658 T659 I660 F849 | L397-V656 HydrophobicContact CD2-CG1 3.79Å; Q653-V656 HydrophobicContact CB-CG2 3.64Å; Q653-V656 WeakPolarHBondContact O-CG2 3.45Å; Q653-V656 PolarHBondContact O-N 2.94Å; V656-E658 VanDerWaalsContact C-N 3.32Å; V656-E658 PolarHBondContact O-N 3.22Å; V656-T659 PolarHBondContact O-N 3.39Å; V656-I660 HydrophobicContact CG1-CD1 3.69Å; V656-I660 WeakPolarHBondContact O-CG1 3.4Å; V656-I660 PolarHBondContact O-N 2.78Å; V656-F849 HydrophobicContact CB-CD1 4.49Å; V656-F849 HydrophobicContact CG1-CD1 4.39Å; V656-F849 HydrophobicContact CG2-CB 4.04Å; V656-F849 HydrophobicContact CG2-CD1 3.94Å; V656-F849 HydrophobicContact CG2-CG 4.29Å |
| 657 | P | 88.9 | Confident | 88.7 | Confident | 26 Ų | 26 | 35.4 Ų | 35.4 | 17% | 0.169 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.5 | -39.2 | -179.8 | -22.3 | 34 | 0 | 0 | 0 | 112.7 | L652 A661 | L652-P657 HydrophobicContact CD1-CG 3.87Å; P657-A661 WeakPolarHBondContact O-CB 3.41Å; P657-A661 PolarHBondContact O-N 3.36Å |
| 658 | E | 88.8 | Confident | 88.6 | Confident | 97 Ų | 97 | 35.5 Ų | 35.5 | 45% | 0.453 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65 | -43.5 | 177.2 | -62.5 | 76.5 | -165.5 | 0 | 0 | 111.1 | G655 V656 A661 C662 | G655-E658 WeakPolarHBondContact CA-OE2 3.42Å; V656-E658 VanDerWaalsContact C-N 3.32Å; V656-E658 PolarHBondContact O-N 3.22Å; E658-A661 PolarHBondContact O-N 3.39Å; E658-C662 WeakPolarHBondContact O-CB 3.4Å; E658-C662 PolarHBondContact O-N 3.43Å |
| 659 | T | 92 | Very high | 88.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 178.3 | -63.7 | 0 | 0 | 0 | 0 | 111 | G655 V656 A661 C662 L663 F849 R850 Q853 | G655-T659 VanDerWaalsContact O-CB 3.27Å; G655-T659 WeakPolarHBondContact O-CB 3.43Å; G655-T659 PolarHBondContact O-N 3.42Å; G655-T659 PolarHBondContact O-OG1 2.97Å; V656-T659 PolarHBondContact O-N 3.39Å; T659-A661 VanDerWaalsContact C-N 3.34Å; T659-A661 PolarHBondContact O-N 3.38Å; T659-C662 PolarHBondContact O-N 3.5Å; T659-L663 HydrophobicContact CG2-CD1 3.81Å; T659-L663 HydrophobicContact CG2-CG 4.37Å; T659-L663 VanDerWaalsContact O-CG 3.24Å; T659-L663 WeakPolarHBondContact O-CG 3.31Å; T659-L663 PolarHBondContact O-N 3.25Å; T659-F849 HydrophobicContact CG2-CD1 3.97Å; T659-F849 HydrophobicContact CG2-CE1 3.7Å; T659-R850 WeakPolarHBondContact OG1-CA 3.48Å; T659-Q853 HydrophobicContact CG2-CB 3.93Å |
| 660 | I | 91.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 177.8 | -71.7 | 166.7 | 0 | 0 | 0 | 111.1 | L397 V656 C662 L663 N664 I670 C688 M690 F849 | L397-I660 HydrophobicContact CD2-CD1 4.22Å; V656-I660 HydrophobicContact CG1-CD1 3.69Å; V656-I660 WeakPolarHBondContact O-CG1 3.4Å; V656-I660 PolarHBondContact O-N 2.78Å; I660-C662 PolarHBondContact O-N 3.23Å; I660-L663 PolarHBondContact O-N 2.65Å; I660-N664 WeakPolarHBondContact O-CB 3.33Å; I660-N664 VanDerWaalsContact O-CG 3.29Å; I660-N664 PolarHBondContact O-N 3.5Å; I660-N664 PolarHBondContact O-ND2 3.35Å; I660-I670 HydrophobicContact CB-CD1 4.24Å; I660-I670 HydrophobicContact CG1-CD1 3.95Å; I660-I670 HydrophobicContact CG2-CD1 4.01Å; I660-C688 HydrophobicContact CD1-CB 3.78Å; I660-M690 HydrophobicContact CD1-CG 4.06Å; I660-M690 HydrophobicContact CD1-SD 3.92Å; I660-M690 HydrophobicContact CG2-CG 3.72Å; I660-F849 HydrophobicContact CG1-CE1 4.06Å |
| 661 | A | 88.3 | Confident | 89.3 | Confident | 50 Ų | 50 | 35.2 Ų | 35.2 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.5 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P657 E658 T659 N664 L665 | P657-A661 WeakPolarHBondContact O-CB 3.41Å; P657-A661 PolarHBondContact O-N 3.36Å; E658-A661 PolarHBondContact O-N 3.39Å; T659-A661 VanDerWaalsContact C-N 3.34Å; T659-A661 PolarHBondContact O-N 3.38Å; A661-N664 PolarHBondContact O-N 3.33Å; A661-L665 WeakPolarHBondContact O-CG 3.46Å; A661-L665 PolarHBondContact O-N 3.36Å |
| 662 | C | 87.8 | Confident | 89.8 | Confident | 30 Ų | 30 | 32.5 Ų | 32.5 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.2 | -78.6 | 0 | 0 | 0 | 0 | 112.9 | E658 T659 I660 L665 A666 L857 P936 | E658-C662 WeakPolarHBondContact O-CB 3.4Å; E658-C662 PolarHBondContact O-N 3.43Å; T659-C662 PolarHBondContact O-N 3.5Å; I660-C662 PolarHBondContact O-N 3.23Å; C662-L665 PolarHBondContact O-N 3.4Å; C662-A666 PolarHBondContact O-N 3.23Å; C662-A666 VanDerWaalsContact O-N 3.16Å; C662-L857 HydrophobicContact CB-CD1 4.46Å; C662-P936 HydrophobicContact CB-CG 4.39Å; C662-P936 VanDerWaalsContact O-CB 3.3Å; C662-P936 WeakPolarHBondContact O-CB 3.41Å |
| 663 | L | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.6 | -39.5 | 178 | -67.5 | 170.5 | 0 | 0 | 0 | 111.9 | I389 T659 I660 L665 A666 D667 I668 I670 L852 L856 | I389-L663 HydrophobicContact CD1-CD1 3.91Å; I389-L663 HydrophobicContact CD1-CD2 4.36Å; T659-L663 HydrophobicContact CG2-CD1 3.81Å; T659-L663 HydrophobicContact CG2-CG 4.37Å; T659-L663 VanDerWaalsContact O-CG 3.24Å; T659-L663 WeakPolarHBondContact O-CG 3.31Å; T659-L663 PolarHBondContact O-N 3.25Å; I660-L663 PolarHBondContact O-N 2.65Å; L663-L665 VanDerWaalsContact C-N 3.32Å; L663-L665 PolarHBondContact O-N 2.73Å; L663-A666 CarbonylContact O-C 3.58Å; L663-A666 WeakPolarHBondContact O-CA 3.38Å; L663-A666 WeakPolarHBondContact O-CB 3.49Å; L663-A666 PolarHBondContact O-N 3.1Å; L663-D667 PolarHBondContact O-N 3.12Å; L663-I668 HydrophobicContact CB-CB 4.47Å; L663-I668 HydrophobicContact CD2-CD1 3.73Å; L663-I668 WeakPolarHBondContact O-CB 3.25Å; L663-I668 PolarHBondContact O-N 3.14Å; L663-I668 VanDerWaalsContact O-N 3.12Å; L663-I670 HydrophobicContact CB-CD1 4.06Å; L663-I670 HydrophobicContact CD1-CD1 4.02Å; L663-L852 HydrophobicContact CD1-CD2 4.26Å; L663-L856 HydrophobicContact CD2-CD1 3.94Å |
| 664 | N | 88.1 | Confident | 89.9 | Confident | 39 Ų | 39 | 30.3 Ų | 30.3 | 21% | 0.209 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 173.4 | -75.7 | -23.8 | 0 | 0 | 0 | 111.7 | I660 A661 A666 D667 I668 | I660-N664 WeakPolarHBondContact O-CB 3.33Å; I660-N664 VanDerWaalsContact O-CG 3.29Å; I660-N664 PolarHBondContact O-N 3.5Å; I660-N664 PolarHBondContact O-ND2 3.35Å; A661-N664 PolarHBondContact O-N 3.33Å; N664-A666 PolarHBondContact O-N 3.46Å; N664-D667 PolarHBondContact O-N 2.87Å; N664-I668 PolarHBondContact OD1-O 3.04Å |
| 665 | L | 87.4 | Confident | 89.6 | Confident | 118 Ų | 118 | 28 Ų | 28 | 62% | 0.618 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -67.1 | -23.6 | 173.5 | -71.2 | 173.5 | 0 | 0 | 0 | 113.1 | A661 C662 L663 P936 | A661-L665 WeakPolarHBondContact O-CG 3.46Å; A661-L665 PolarHBondContact O-N 3.36Å; C662-L665 PolarHBondContact O-N 3.4Å; L663-L665 VanDerWaalsContact C-N 3.32Å; L663-L665 PolarHBondContact O-N 2.73Å; L665-P936 HydrophobicContact CB-CB 4.14Å; L665-P936 HydrophobicContact CB-CG 4.15Å |
| 666 | A | 87.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 5.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C662 L663 N664 I668 L857 P936 Q943 | C662-A666 PolarHBondContact O-N 3.23Å; C662-A666 VanDerWaalsContact O-N 3.16Å; L663-A666 CarbonylContact O-C 3.58Å; L663-A666 WeakPolarHBondContact O-CA 3.38Å; L663-A666 WeakPolarHBondContact O-CB 3.49Å; L663-A666 PolarHBondContact O-N 3.1Å; N664-A666 PolarHBondContact O-N 3.46Å; A666-I668 VanDerWaalsContact C-N 3.28Å; A666-I668 HydrophobicContact CB-CD1 4.03Å; A666-I668 HydrophobicContact CB-CG1 4.18Å; A666-I668 PolarHBondContact O-N 2.8Å; A666-L857 HydrophobicContact CB-CD2 3.76Å; A666-P936 HydrophobicContact CB-CB 3.82Å; A666-P936 WeakPolarHBondContact CB-O 2.97Å; A666-Q943 PolarHBondContact O-NE2 3.44Å; A666-Q943 PolarHBondContact O-OE1 3.04Å |
| 667 | D | 88.7 | Confident | 88.4 | Confident | 71 Ų | 71 | 31.2 Ų | 31.2 | 38% | 0.38 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 31.3 | -179.4 | -145.3 | 3.9 | 0 | 0 | 0 | 113.5 | L663 N664 K940 Q943 | L663-D667 PolarHBondContact O-N 3.12Å; N664-D667 PolarHBondContact O-N 2.87Å; D667-K940 IonicContact OD2-NZ 3.2Å; D667-K940 PolarHBondContact OD2-NZ 3.33Å; D667-Q943 PolarHBondContact O-NE2 3.42Å |
| 668 | I | 90.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | trans | -94.6 | 121.9 | 174.8 | -58.6 | 169 | 0 | 0 | 0 | 108.3 | I389 L663 N664 A666 L856 Y939 | I389-I668 HydrophobicContact CB-CG2 4.42Å; I389-I668 HydrophobicContact CD1-CG2 3.5Å; I389-I668 HydrophobicContact CG1-CG2 3.6Å; L663-I668 HydrophobicContact CB-CB 4.47Å; L663-I668 HydrophobicContact CD2-CD1 3.73Å; L663-I668 WeakPolarHBondContact O-CB 3.25Å; L663-I668 PolarHBondContact O-N 3.14Å; L663-I668 VanDerWaalsContact O-N 3.12Å; N664-I668 PolarHBondContact OD1-O 3.04Å; A666-I668 VanDerWaalsContact C-N 3.28Å; A666-I668 HydrophobicContact CB-CD1 4.03Å; A666-I668 HydrophobicContact CB-CG1 4.18Å; A666-I668 PolarHBondContact O-N 2.8Å; I668-L856 HydrophobicContact CD1-CD1 4.43Å; I668-Y939 HydrophobicContact CD1-CD1 4.12Å; I668-Y939 HydrophobicContact CD1-CE1 3.92Å; I668-Y939 HydrophobicContact CG1-CD1 4.34Å; I668-Y939 HydrophobicContact CG1-CE1 4.22Å | ||
| 669 | K | 90.3 | Very high | 87.4 | Confident | 64 Ų | 64 | 30.5 Ų | 30.5 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.3 | 179.1 | -66.3 | -176.3 | -179.7 | -178.4 | 0 | 110.1 | E387 F388 I389 C778 | E387-K669 PolarHBondContact O-N 2.81Å; F388-K669 WeakPolarHBondContact CA-O 3.37Å; F388-K669 HydrophobicContact CD1-CB 3.89Å; F388-K669 HydrophobicContact CD1-CD 4.49Å; F388-K669 HydrophobicContact CE1-CB 4.02Å; F388-K669 HydrophobicContact CE1-CD 3.76Å; F388-K669 HydrophobicContact CE1-CG 4.44Å; F388-K669 HydrophobicContact CZ-CD 4.1Å; I389-K669 PolarHBondContact N-O 3.15Å; K669-C778 PolarHBondContact NZ-O 3.02Å |
| 670 | I | 92.4 | Very high | 86.7 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.9 | -179.9 | -50.8 | -176.4 | 0 | 0 | 0 | 109.8 | I389 I660 L663 M690 | I389-I670 HydrophobicContact CB-CG1 4.39Å; I389-I670 HydrophobicContact CG2-CG2 4.45Å; I389-I670 CarbonylContact O-C 3.58Å; I389-I670 WeakPolarHBondContact O-CA 3.31Å; I660-I670 HydrophobicContact CB-CD1 4.24Å; I660-I670 HydrophobicContact CG1-CD1 3.95Å; I660-I670 HydrophobicContact CG2-CD1 4.01Å; L663-I670 HydrophobicContact CB-CD1 4.06Å; L663-I670 HydrophobicContact CD1-CD1 4.02Å; I670-M690 HydrophobicContact CB-CE 3.98Å; I670-M690 HydrophobicContact CG2-CE 3.85Å; I670-M690 HydrophobicContact CG2-SD 4.48Å |
| 671 | W | 94.6 | Very high | 86.4 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 3% | 0.03 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126 | 176.6 | -67.4 | 16.3 | 0 | 0 | 0 | 108.9 | F388 I389 F390 S391 L774 A777 V783 V796 V800 | F388-W671 HydrophobicContact CD1-CZ2 4.26Å; F388-W671 AromaticContact CE1-CZ2 3.96Å; F388-W671 HydrophobicContact CE1-CZ2 3.96Å; I389-W671 PolarHBondContact O-N 2.84Å; F390-W671 CarbonylContact C-O 3.5Å; F390-W671 WeakPolarHBondContact CA-O 3.49Å; F390-W671 HydrophobicContact CD1-CB 3.9Å; F390-W671 HydrophobicContact CD1-CE3 4.22Å; F390-W671 HydrophobicContact CD1-CG 4.48Å; F390-W671 HydrophobicContact CE1-CB 4.2Å; F390-W671 AromaticContact CE1-CD2 3.95Å; F390-W671 HydrophobicContact CE1-CD2 3.95Å; F390-W671 AromaticContact CE1-CE3 3.49Å; F390-W671 HydrophobicContact CE1-CE3 3.49Å; F390-W671 VanDerWaalsContact CE1-CE3 3.49Å; F390-W671 HydrophobicContact CE1-CG 4.3Å; F390-W671 HydrophobicContact CE1-CZ3 4.11Å; F390-W671 HydrophobicContact CZ-CE3 4.42Å; S391-W671 PolarHBondContact N-O 3.05Å; W671-L774 HydrophobicContact CH2-CD1 4.44Å; W671-A777 HydrophobicContact CH2-CB 3.52Å; W671-A777 HydrophobicContact CZ2-CB 3.67Å; W671-A777 HydrophobicContact CZ3-CB 4.33Å; W671-V783 CarbonylContact C-O 3.51Å; W671-V783 VanDerWaalsContact CA-O 3.31Å; W671-V783 WeakPolarHBondContact CA-O 3.4Å; W671-V783 HydrophobicContact CB-CB 4.35Å; W671-V783 HydrophobicContact CD2-CB 3.83Å; W671-V783 HydrophobicContact CD2-CG1 4.25Å; W671-V783 HydrophobicContact CD2-CG2 4.02Å; W671-V783 HydrophobicContact CE3-CB 4.38Å; W671-V783 HydrophobicContact CE3-CG1 4.3Å; W671-V783 HydrophobicContact CG-CB 3.76Å; W671-V783 HydrophobicContact CG-CG2 4.23Å; W671-V783 HydrophobicContact CZ2-CG2 4.1Å; W671-V796 HydrophobicContact CE3-CG1 3.99Å; W671-V796 HydrophobicContact CZ3-CG1 3.95Å; W671-V800 HydrophobicContact CE3-CG2 4.44Å; W671-V800 HydrophobicContact CH2-CG2 3.61Å; W671-V800 HydrophobicContact CZ2-CG2 4.5Å; W671-V800 HydrophobicContact CZ3-CG2 3.58Å |
| 672 | V | 94.4 | Very high | 86.1 | Confident | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.048 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.7 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | S391 K393 L397 M690 V783 I784 C785 | S391-V672 WeakPolarHBondContact O-CA 3.28Å; K393-V672 HydrophobicContact CB-CG1 4.09Å; L397-V672 HydrophobicContact CD1-CG1 4.45Å; L397-V672 HydrophobicContact CD1-CG2 4.13Å; V672-M690 HydrophobicContact CG2-CE 3.56Å; V672-M690 HydrophobicContact CG2-SD 3.73Å; V672-V783 PolarHBondContact N-O 2.87Å; V672-I784 HydrophobicContact CB-CG1 4.41Å; V672-I784 HydrophobicContact CB-CG2 4.43Å; V672-I784 CarbonylContact O-C 3.53Å; V672-I784 WeakPolarHBondContact O-CA 3.08Å; V672-C785 PolarHBondContact O-N 2.9Å |
| 673 | L | 92.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 100 | 179.2 | -53.8 | -177.6 | 0 | 0 | 0 | 108.9 | F390 S391 C785 K793 V796 M820 | F390-L673 HydrophobicContact CB-CD1 4.18Å; F390-L673 HydrophobicContact CD1-CD1 3.86Å; F390-L673 HydrophobicContact CD1-CG 4.35Å; F390-L673 HydrophobicContact CG-CD1 4.39Å; S391-L673 PolarHBondContact O-N 2.81Å; L673-C785 HydrophobicContact CD2-CB 3.58Å; L673-C785 WeakPolarHBondContact CD2-SG 3.47Å; L673-K793 HydrophobicContact CB-CD 4.37Å; L673-K793 HydrophobicContact CB-CG 4.09Å; L673-K793 HydrophobicContact CD1-CB 4.31Å; L673-K793 WeakPolarHBondContact O-CE 3.25Å; L673-K793 PolarHBondContact O-NZ 3.3Å; L673-V796 HydrophobicContact CD1-CB 4.24Å; L673-V796 HydrophobicContact CD1-CG1 4.21Å; L673-V796 HydrophobicContact CD2-CG1 4.12Å; L673-M820 HydrophobicContact CD1-SD 3.91Å |
| 674 | T | 88.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -120 | 147.4 | -173.1 | -175 | 0 | 0 | 0 | 0 | 113.2 | K393 D676 A681 C785 C786 R787 V788 | K393-T674 HydrophobicContact CB-CG2 4.49Å; T674-D676 HydrophobicContact CG2-CB 4.17Å; T674-D676 PolarHBondContact O-N 3.03Å; T674-D676 WeakPolarHBondContact OG1-CB 3.43Å; T674-D676 PolarHBondContact OG1-N 3.09Å; T674-D676 VanDerWaalsContact OG1-N 3.09Å; T674-A681 HydrophobicContact CG2-CB 3.75Å; T674-C785 WeakPolarHBondContact CG2-O 3.34Å; T674-C785 PolarHBondContact N-O 3.26Å; T674-C786 CarbonylContact O-C 3.57Å; T674-R787 PolarHBondContact O-N 2.96Å; T674-V788 WeakPolarHBondContact O-CG2 3.21Å; T674-V788 PolarHBondContact O-N 3.16Å | ||
| 675 | G | 80 | Confident | 85.4 | Confident | 47 Ų | 47 | 28 Ų | 28 | 49% | 0.485 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -73.6 | -10.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R787 | G675-R787 WeakPolarHBondContact O-CA 3.26Š|
| 676 | D | 76.8 | Confident | 85.2 | Confident | 45 Ų | 45 | 24 Ų | 24 | 24% | 0.241 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -74.1 | 166.2 | -174 | -83.6 | -4.3 | 0 | 0 | 0 | 114.3 | K393 T674 T680 R787 | K393-D676 WeakPolarHBondContact CD-OD2 3.41Å; K393-D676 VanDerWaalsContact CE-OD2 3.24Å; K393-D676 WeakPolarHBondContact CE-OD2 3.37Å; K393-D676 IonicContact NZ-OD2 3.54Å; K393-D676 PolarHBondContact NZ-OD2 3.44Å; T674-D676 HydrophobicContact CG2-CB 4.17Å; T674-D676 PolarHBondContact O-N 3.03Å; T674-D676 WeakPolarHBondContact OG1-CB 3.43Å; T674-D676 PolarHBondContact OG1-N 3.09Å; T674-D676 VanDerWaalsContact OG1-N 3.09Å; D676-T680 HydrophobicContact CB-CG2 4.47Å; D676-R787 WeakPolarHBondContact O-CG 3.24Å; D676-R787 PolarHBondContact O-N 3.26Å |
| 677 | K | 75.6 | Confident | 85 | Confident | 46 Ų | 46 | 25 Ų | 25 | 20% | 0.2 | 14% | 0.138 | C | C | . | . | trans | -62.7 | 153.6 | 172.3 | -61.6 | 179 | -178.5 | 172.3 | 0 | 110.7 | N539 E679 T680 A681 F1130 | N539-K677 PolarHBondContact OD1-NZ 3.17Å; K677-E679 PolarHBondContact O-N 3.48Å; K677-T680 PolarHBondContact O-N 2.98Å; K677-A681 PolarHBondContact O-N 2.79Å; K677-F1130 PolarHBondContact NZ-O 2.85Å | ||
| 678 | L | 79.8 | Confident | 84.8 | Confident | 46 Ų | 46 | 21.7 Ų | 21.7 | 24% | 0.241 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | -178.6 | -180 | 140.3 | 0 | 0 | 0 | 112.9 | T680 A681 M682 V700 V755 C786 | L678-T680 PolarHBondContact O-N 3.3Å; L678-A681 PolarHBondContact O-N 3.49Å; L678-M682 HydrophobicContact CD2-CE 3.48Å; L678-M682 VanDerWaalsContact CD2-CE 3.48Å; L678-M682 HydrophobicContact CD2-SD 3.92Å; L678-M682 HydrophobicContact CG-CE 4.47Å; L678-M682 HydrophobicContact CG-SD 4.49Å; L678-M682 WeakPolarHBondContact O-CG 3.31Å; L678-M682 PolarHBondContact O-N 3.32Å; L678-V700 HydrophobicContact CD1-CG1 3.9Å; L678-V755 HydrophobicContact CD1-CG1 3.71Å; L678-V755 HydrophobicContact CG-CG1 4.06Å; L678-C786 HydrophobicContact CB-CB 4.29Å |
| 679 | E | 77.1 | Confident | 84.3 | Confident | 61 Ų | 61 | 25 Ų | 25 | 29% | 0.285 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -56.4 | -50 | 178.4 | -63.1 | 159.4 | 176.7 | 0 | 0 | 111.1 | K542 K677 M682 S683 Y1128 | K542-E679 IonicContact NZ-OE1 2.78Å; K542-E679 PolarHBondContact NZ-OE1 3.37Å; K677-E679 PolarHBondContact O-N 3.48Å; E679-M682 PolarHBondContact O-N 2.81Å; E679-S683 PolarHBondContact O-N 3.27Å; E679-Y1128 WeakPolarHBondContact CB-O 3.32Å |
| 680 | T | 78.1 | Confident | 84 | Confident | 7 Ų | 7 | 22.1 Ų | 22.1 | 4% | 0.043 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.8 | -51.1 | 0 | 0 | 0 | 0 | 112.5 | D676 K677 L678 M682 S683 I684 | D676-T680 HydrophobicContact CB-CG2 4.47Å; K677-T680 PolarHBondContact O-N 2.98Å; L678-T680 PolarHBondContact O-N 3.3Å; T680-M682 VanDerWaalsContact C-N 3.31Å; T680-M682 PolarHBondContact O-N 3.49Å; T680-S683 PolarHBondContact O-N 2.94Å; T680-I684 PolarHBondContact O-N 2.82Å |
| 681 | A | 83.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T674 K677 L678 G685 I784 C786 | T674-A681 HydrophobicContact CG2-CB 3.75Å; K677-A681 PolarHBondContact O-N 2.79Å; L678-A681 PolarHBondContact O-N 3.49Å; A681-G685 PolarHBondContact O-N 3.18Å; A681-I784 HydrophobicContact CB-CG2 3.82Å; A681-C786 VanDerWaalsContact CB-SG 3.54Å |
| 682 | M | 82.8 | Confident | 82.9 | Confident | 45 Ų | 45 | 24.7 Ų | 24.7 | 22% | 0.222 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68 | -45.1 | 174.2 | -69.5 | -169.4 | -50.1 | 0 | 0 | 111.9 | L678 E679 T680 I684 G685 Y686 L691 V755 | L678-M682 HydrophobicContact CD2-CE 3.48Å; L678-M682 VanDerWaalsContact CD2-CE 3.48Å; L678-M682 HydrophobicContact CD2-SD 3.92Å; L678-M682 HydrophobicContact CG-CE 4.47Å; L678-M682 HydrophobicContact CG-SD 4.49Å; L678-M682 WeakPolarHBondContact O-CG 3.31Å; L678-M682 PolarHBondContact O-N 3.32Å; E679-M682 PolarHBondContact O-N 2.81Å; T680-M682 VanDerWaalsContact C-N 3.31Å; T680-M682 PolarHBondContact O-N 3.49Å; M682-I684 VanDerWaalsContact C-N 3.34Å; M682-I684 PolarHBondContact O-N 3.24Å; M682-G685 CarbonylContact O-C 3.59Å; M682-G685 WeakPolarHBondContact O-CA 3.4Å; M682-G685 PolarHBondContact O-N 3.4Å; M682-Y686 WeakPolarHBondContact O-CD2 3.27Å; M682-Y686 PolarHBondContact O-N 3.34Å; M682-L691 HydrophobicContact CB-CD1 4.4Å; M682-L691 HydrophobicContact CG-CD1 4.48Å; M682-V755 HydrophobicContact CG-CG2 4.46Å |
| 683 | S | 81.2 | Confident | 81.7 | Confident | 7 Ų | 7 | 27.4 Ų | 27.4 | 5% | 0.049 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55 | -48.1 | 176.3 | 146.5 | 0 | 0 | 0 | 0 | 111.2 | G592 E679 T680 G685 Y686 S687 | G592-S683 PolarHBondContact O-OG 3.48Å; E679-S683 PolarHBondContact O-N 3.27Å; T680-S683 PolarHBondContact O-N 2.94Å; S683-G685 VanDerWaalsContact C-N 3.34Å; S683-G685 PolarHBondContact O-N 3.49Å; S683-Y686 PolarHBondContact O-N 3.34Å; S683-S687 PolarHBondContact O-N 3.45Å; S683-S687 PolarHBondContact O-OG 3.43Å; S683-S687 VanDerWaalsContact O-OG 3.12Å |
| 684 | I | 84.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 174.4 | -65.1 | -55.4 | 0 | 0 | 0 | 112.1 | K393 T398 D650 L652 T680 M682 Y686 S687 C688 | K393-I684 HydrophobicContact CD-CB 4.47Å; K393-I684 HydrophobicContact CD-CG1 4Å; K393-I684 HydrophobicContact CG-CB 4.24Å; K393-I684 HydrophobicContact CG-CG1 4.23Å; K393-I684 HydrophobicContact CG-CG2 3.91Å; T398-I684 HydrophobicContact CG2-CD1 3.71Å; T398-I684 HydrophobicContact CG2-CG1 4.1Å; T398-I684 HydrophobicContact CG2-CG2 4.36Å; D650-I684 HydrophobicContact CB-CD1 3.99Å; L652-I684 HydrophobicContact CD2-CD1 4.13Å; L652-I684 HydrophobicContact CD2-CG2 4.23Å; T680-I684 PolarHBondContact O-N 2.82Å; M682-I684 VanDerWaalsContact C-N 3.34Å; M682-I684 PolarHBondContact O-N 3.24Å; I684-Y686 VanDerWaalsContact C-N 3.26Å; I684-Y686 PolarHBondContact O-N 2.93Å; I684-S687 PolarHBondContact O-N 3.39Å; I684-C688 VanDerWaalsContact O-CB 3.31Å; I684-C688 WeakPolarHBondContact O-CB 3.17Å; I684-C688 PolarHBondContact O-N 3.31Å; I684-C688 PolarHBondContact O-SG 3.08Å; I684-C688 VanDerWaalsContact O-SG 3.36Å |
| 685 | G | 86.1 | Confident | 80 | Confident | 3 Ų | 3 | 33.1 Ų | 33.1 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.7 | -40.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A681 M682 S683 N689 M690 L691 | A681-G685 PolarHBondContact O-N 3.18Å; M682-G685 CarbonylContact O-C 3.59Å; M682-G685 WeakPolarHBondContact O-CA 3.4Å; M682-G685 PolarHBondContact O-N 3.4Å; S683-G685 VanDerWaalsContact C-N 3.34Å; S683-G685 PolarHBondContact O-N 3.49Å; G685-N689 PolarHBondContact O-N 3.19Å; G685-M690 PolarHBondContact O-N 2.9Å; G685-L691 PolarHBondContact O-N 3.09Å |
| 686 | Y | 83.2 | Confident | 79.6 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.8 | -43.4 | 174 | -77.2 | -71.4 | 0 | 0 | 0 | 112.6 | M682 S683 I684 C688 N689 L691 R1125 | M682-Y686 WeakPolarHBondContact O-CD2 3.27Å; M682-Y686 PolarHBondContact O-N 3.34Å; S683-Y686 PolarHBondContact O-N 3.34Å; I684-Y686 VanDerWaalsContact C-N 3.26Å; I684-Y686 PolarHBondContact O-N 2.93Å; Y686-C688 VanDerWaalsContact C-N 3.28Å; Y686-C688 PolarHBondContact O-N 3.09Å; Y686-N689 PolarHBondContact O-N 3Å; Y686-L691 HydrophobicContact CD1-CB 3.82Å; Y686-L691 WeakPolarHBondContact CD1-O 3.27Å; Y686-L691 HydrophobicContact CD2-CB 4.25Å; Y686-L691 HydrophobicContact CD2-CD1 4.15Å; Y686-L691 HydrophobicContact CE1-CB 3.73Å; Y686-L691 HydrophobicContact CE2-CB 4.14Å; Y686-L691 HydrophobicContact CE2-CD1 3.89Å; Y686-L691 HydrophobicContact CG-CB 4.08Å; Y686-R1125 PolarHBondContact OH-NH1 3.09Å |
| 687 | S | 82.9 | Confident | 79.8 | Confident | 23 Ų | 23 | 37.5 Ų | 37.5 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -38.1 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | S683 I684 N689 | S683-S687 PolarHBondContact O-N 3.45Å; S683-S687 PolarHBondContact O-OG 3.43Å; S683-S687 VanDerWaalsContact O-OG 3.12Å; I684-S687 PolarHBondContact O-N 3.39Å; S687-N689 VanDerWaalsContact C-N 3.25Å; S687-N689 PolarHBondContact O-N 3.19Å |
| 688 | C | 84.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -2.5 | 176.5 | -69.8 | 0 | 0 | 0 | 0 | 114 | I660 I684 Y686 M690 | I660-C688 HydrophobicContact CD1-CB 3.78Å; I684-C688 VanDerWaalsContact O-CB 3.31Å; I684-C688 WeakPolarHBondContact O-CB 3.17Å; I684-C688 PolarHBondContact O-N 3.31Å; I684-C688 PolarHBondContact O-SG 3.08Å; I684-C688 VanDerWaalsContact O-SG 3.36Å; Y686-C688 VanDerWaalsContact C-N 3.28Å; Y686-C688 PolarHBondContact O-N 3.09Å; C688-M690 HydrophobicContact CB-CG 3.98Å; C688-M690 HydrophobicContact CB-SD 4.36Å; C688-M690 PolarHBondContact O-N 3.37Å |
| 689 | N | 81.7 | Confident | 80.6 | Confident | 70 Ų | 70 | 35.4 Ų | 35.4 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 26.1 | -170.5 | -60 | -42.1 | 0 | 0 | 0 | 114.1 | G685 Y686 S687 R1120 | G685-N689 PolarHBondContact O-N 3.19Å; Y686-N689 PolarHBondContact O-N 3Å; S687-N689 VanDerWaalsContact C-N 3.25Å; S687-N689 PolarHBondContact O-N 3.19Å; N689-R1120 PolarHBondContact OD1-NH2 3.47Å |
| 690 | M | 83.6 | Confident | 81.1 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -79 | -35.4 | 171.9 | -71.7 | -175.3 | 65.5 | 0 | 0 | 111.5 | I660 I670 V672 G685 C688 M695 T782 | I660-M690 HydrophobicContact CD1-CG 4.06Å; I660-M690 HydrophobicContact CD1-SD 3.92Å; I660-M690 HydrophobicContact CG2-CG 3.72Å; I670-M690 HydrophobicContact CB-CE 3.98Å; I670-M690 HydrophobicContact CG2-CE 3.85Å; I670-M690 HydrophobicContact CG2-SD 4.48Å; V672-M690 HydrophobicContact CG2-CE 3.56Å; V672-M690 HydrophobicContact CG2-SD 3.73Å; G685-M690 PolarHBondContact O-N 2.9Å; C688-M690 HydrophobicContact CB-CG 3.98Å; C688-M690 HydrophobicContact CB-SD 4.36Å; C688-M690 PolarHBondContact O-N 3.37Å; M690-M695 WeakPolarHBondContact O-CE 3.46Å; M690-T782 HydrophobicContact CB-CG2 4.03Å; M690-T782 HydrophobicContact CE-CG2 3.64Å; M690-T782 PolarHBondContact O-OG1 2.91Å |
| 691 | L | 83.9 | Confident | 81.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -102.1 | 138 | 165.5 | -59.6 | 178.6 | 0 | 0 | 0 | 107.8 | M682 G685 Y686 M695 A753 T782 I784 | M682-L691 HydrophobicContact CB-CD1 4.4Å; M682-L691 HydrophobicContact CG-CD1 4.48Å; G685-L691 PolarHBondContact O-N 3.09Å; Y686-L691 HydrophobicContact CD1-CB 3.82Å; Y686-L691 WeakPolarHBondContact CD1-O 3.27Å; Y686-L691 HydrophobicContact CD2-CB 4.25Å; Y686-L691 HydrophobicContact CD2-CD1 4.15Å; Y686-L691 HydrophobicContact CE1-CB 3.73Å; Y686-L691 HydrophobicContact CE2-CB 4.14Å; Y686-L691 HydrophobicContact CE2-CD1 3.89Å; Y686-L691 HydrophobicContact CG-CB 4.08Å; L691-M695 HydrophobicContact CD2-SD 4.35Å; L691-A753 HydrophobicContact CD2-CB 3.42Å; L691-A753 VanDerWaalsContact CD2-CB 3.42Å; L691-T782 HydrophobicContact CD2-CG2 4.29Å; L691-I784 HydrophobicContact CD1-CD1 3.9Å; L691-I784 HydrophobicContact CD2-CD1 4.33Å; L691-I784 HydrophobicContact CG-CD1 4.1Å |
| 692 | R | 79.5 | Confident | 81.7 | Confident | 62 Ų | 62 | 38.7 Ų | 38.7 | 23% | 0.234 | 21% | 0.207 | C | C | . | . | trans | -132 | 153.7 | 175.9 | -65.8 | -169.5 | -66 | -85.4 | -1.4 | 109.8 | D694 M695 E751 | R692-D694 WeakPolarHBondContact CB-OD1 3.38Å; R692-D694 WeakPolarHBondContact CD-OD1 3.44Å; R692-D694 IonicContact CZ-OD1 3.45Å; R692-D694 IonicContact NE-OD1 2.59Å; R692-D694 PolarHBondContact NE-OD1 3.22Å; R692-D694 IonicContact NE-OD2 2.71Å; R692-D694 PolarHBondContact O-N 3Å; R692-M695 HydrophobicContact CB-CG 4.2Å; R692-M695 WeakPolarHBondContact O-CB 3.39Å; R692-M695 WeakPolarHBondContact O-CG 3.32Å; R692-M695 PolarHBondContact O-N 3.45Å; R692-E751 IonicContact CZ-OE1 2.64Å; R692-E751 IonicContact CZ-OE2 3.53Å; R692-E751 IonicContact NE-OE2 2.96Å; R692-E751 IonicContact NH2-OE1 2.86Å; R692-E751 PolarHBondContact NH2-OE1 3.39Å; R692-E751 IonicContact NH2-OE2 3.26Å; R692-E751 PolarHBondContact NH2-OE2 3.44Å | ||
| 693 | D | 70.1 | Confident | 81.8 | Confident | 66 Ų | 66 | 36.6 Ų | 36.6 | 35% | 0.353 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17.1 | 176.7 | -64.3 | -36.3 | 0 | 0 | 0 | 112.6 | M695 | D693-M695 VanDerWaalsContact C-N 3.29Š|
| 694 | D | 69.9 | Low | 81.8 | Confident | 102 Ų | 102 | 40.8 Ų | 40.8 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.1 | 174.9 | 68 | -11 | 0 | 0 | 0 | 113.8 | R692 | R692-D694 WeakPolarHBondContact CB-OD1 3.38Å; R692-D694 WeakPolarHBondContact CD-OD1 3.44Å; R692-D694 IonicContact CZ-OD1 3.45Å; R692-D694 IonicContact NE-OD1 2.59Å; R692-D694 PolarHBondContact NE-OD1 3.22Å; R692-D694 IonicContact NE-OD2 2.71Å; R692-D694 PolarHBondContact O-N 3Å |
| 695 | M | 73.9 | Confident | 82 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -69 | 143.6 | 175.9 | -71.3 | -171.3 | 170.5 | 0 | 0 | 111.6 | M690 L691 R692 D693 E697 E751 A753 | M690-M695 WeakPolarHBondContact O-CE 3.46Å; L691-M695 HydrophobicContact CD2-SD 4.35Å; R692-M695 HydrophobicContact CB-CG 4.2Å; R692-M695 WeakPolarHBondContact O-CB 3.39Å; R692-M695 WeakPolarHBondContact O-CG 3.32Å; R692-M695 PolarHBondContact O-N 3.45Å; D693-M695 VanDerWaalsContact C-N 3.29Å; M695-E697 PolarHBondContact O-N 2.96Å; M695-E751 WeakPolarHBondContact CA-O 3.47Å; M695-E751 VanDerWaalsContact CB-O 3.27Å; M695-E751 WeakPolarHBondContact CB-O 3.24Å; M695-E751 HydrophobicContact CG-CB 4.08Å; M695-A753 HydrophobicContact SD-CB 4.01Å |
| 696 | N | 73.5 | Confident | 82 | Confident | 103 Ų | 103 | 46.6 Ų | 46.6 | 55% | 0.551 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -63.1 | -45.9 | -177.2 | -73.3 | -9.7 | 0 | 0 | 0 | 111.7 | E751 Y752 | N696-E751 PolarHBondContact N-O 2.91Å; N696-Y752 HydrophobicContact CB-CD1 4.07Å; N696-Y752 HydrophobicContact CB-CE1 3.67Å |
| 697 | E | 79.6 | Confident | 82.2 | Confident | 81 Ų | 81 | 51 Ų | 51 | 38% | 0.379 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 147 | 179.4 | -156.3 | 172.9 | 173.8 | 0 | 0 | 111.3 | M695 F699 Y752 A753 | M695-E697 PolarHBondContact O-N 2.96Å; E697-F699 HydrophobicContact CB-CE1 4.39Å; E697-F699 HydrophobicContact CB-CE2 4.45Å; E697-F699 HydrophobicContact CB-CZ 4.11Å; E697-F699 HydrophobicContact CG-CD1 4.44Å; E697-F699 HydrophobicContact CG-CE1 4.04Å; E697-F699 HydrophobicContact CG-CZ 4.27Å; E697-F699 VanDerWaalsContact OE2-CE1 3.28Å; E697-F699 WeakPolarHBondContact OE2-CE1 3.37Å; E697-F699 WeakPolarHBondContact OE2-CZ 3.37Å; E697-Y752 HydrophobicContact CB-CD1 3.97Å; E697-Y752 HydrophobicContact CB-CE1 4.14Å; E697-A753 PolarHBondContact O-N 3.29Å |
| 698 | V | 83.8 | Confident | 82.5 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 20% | 0.2 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 108 | 171.3 | -177.5 | 0 | 0 | 0 | 0 | 108 | V700 A753 V755 | V698-V700 PolarHBondContact O-N 3.21Å; V698-A753 WeakPolarHBondContact CA-O 3.41Å; V698-A753 HydrophobicContact CG1-CB 4.3Å; V698-A753 HydrophobicContact CG2-CB 4.3Å; V698-V755 HydrophobicContact CG1-CG2 3.83Å |
| 699 | F | 88.3 | Confident | 82.7 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 118.9 | -180 | -61.5 | -68.9 | 0 | 0 | 0 | 110.4 | E697 A716 N719 I720 Y752 A753 L754 V755 | E697-F699 HydrophobicContact CB-CE1 4.39Å; E697-F699 HydrophobicContact CB-CE2 4.45Å; E697-F699 HydrophobicContact CB-CZ 4.11Å; E697-F699 HydrophobicContact CG-CD1 4.44Å; E697-F699 HydrophobicContact CG-CE1 4.04Å; E697-F699 HydrophobicContact CG-CZ 4.27Å; E697-F699 VanDerWaalsContact OE2-CE1 3.28Å; E697-F699 WeakPolarHBondContact OE2-CE1 3.37Å; E697-F699 WeakPolarHBondContact OE2-CZ 3.37Å; F699-A716 HydrophobicContact CB-CB 4.32Å; F699-A716 HydrophobicContact CD1-CB 3.69Å; F699-A716 HydrophobicContact CD2-CB 4.42Å; F699-A716 HydrophobicContact CE1-CB 4.09Å; F699-A716 HydrophobicContact CG-CB 3.88Å; F699-N719 HydrophobicContact CE1-CB 4.32Å; F699-N719 HydrophobicContact CZ-CB 4.36Å; F699-I720 HydrophobicContact CD2-CD1 4.35Å; F699-I720 HydrophobicContact CE2-CD1 3.62Å; F699-I720 HydrophobicContact CE2-CG1 3.66Å; F699-I720 HydrophobicContact CZ-CD1 4.24Å; F699-I720 HydrophobicContact CZ-CG1 3.82Å; F699-Y752 AromaticContact CE2-CD1 3.56Å; F699-Y752 HydrophobicContact CE2-CD1 3.56Å; F699-Y752 HydrophobicContact CE2-CE1 4.25Å; F699-Y752 AromaticContact CE2-CG 3.94Å; F699-Y752 HydrophobicContact CE2-CG 3.94Å; F699-Y752 AromaticContact CZ-CD1 3.99Å; F699-Y752 HydrophobicContact CZ-CD1 3.99Å; F699-Y752 HydrophobicContact CZ-CE1 4.24Å; F699-A753 PolarHBondContact N-O 2.88Å; F699-L754 HydrophobicContact CB-CD1 4.09Å; F699-V755 PolarHBondContact O-N 3.22Å |
| 700 | V | 88.4 | Confident | 83.1 | Confident | 67 Ų | 67 | 53 Ų | 53 | 41% | 0.406 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.9 | 176.8 | -177 | 0 | 0 | 0 | 0 | 110 | L678 V698 V755 | L678-V700 HydrophobicContact CD1-CG1 3.9Å; V698-V700 PolarHBondContact O-N 3.21Å; V700-V755 CarbonylContact C-O 3.57Å; V700-V755 WeakPolarHBondContact CA-O 3.38Å; V700-V755 HydrophobicContact CG2-CB 4.37Å |
| 701 | I | 89.2 | Confident | 83.3 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 108.7 | -179.7 | -54.9 | -173.6 | 0 | 0 | 0 | 109.4 | V709 Q712 L713 L754 V755 I756 S757 L776 | I701-V709 HydrophobicContact CG2-CG1 4.25Å; I701-Q712 HydrophobicContact CG2-CB 4.4Å; I701-L713 HydrophobicContact CD1-CD2 3.28Å; I701-L713 HydrophobicContact CD1-CG 3.87Å; I701-L754 HydrophobicContact CD1-CD1 3.61Å; I701-L754 HydrophobicContact CG1-CD1 3.98Å; I701-V755 PolarHBondContact N-O 3.31Å; I701-I756 HydrophobicContact CB-CB 4.35Å; I701-I756 HydrophobicContact CB-CD1 4.43Å; I701-I756 HydrophobicContact CB-CG1 4.06Å; I701-I756 HydrophobicContact CG2-CD1 4.23Å; I701-I756 HydrophobicContact CG2-CG1 4.18Å; I701-S757 PolarHBondContact O-N 2.88Å; I701-L776 HydrophobicContact CD1-CD2 4.23Å |
| 702 | S | 85.7 | Confident | 83.5 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 49% | 0.49 | 33% | 0.326 | S | S | . | . | trans | -139 | 28.3 | -175.9 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | S760 | S702-S760 WeakPolarHBondContact CA-OG 3.39Š| ||
| 703 | G | 83.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -64.9 | 130.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | V709 S760 | G703-V709 VanDerWaalsContact O-CG2 3.28Å; G703-V709 WeakPolarHBondContact O-CG2 3.36Å; G703-S760 PolarHBondContact N-OG 3.33Å; G703-S760 PolarHBondContact O-OG 2.64Å | ||
| 704 | P | 81.6 | Confident | 84.7 | Confident | 95 Ų | 95 | 62.1 Ų | 62.1 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -75.4 | -24.4 | 174.9 | 28.3 | -35.4 | 0 | 0 | 0 | 113.5 | E708 | P704-E708 WeakPolarHBondContact CD-OE2 3.32Å; P704-E708 VanDerWaalsContact CG-OE2 3.25Å; P704-E708 WeakPolarHBondContact CG-OE2 3.42Å |
| 705 | T | 88.5 | Confident | 85.6 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -110.7 | 153.9 | 179.7 | 66.9 | 0 | 0 | 0 | 0 | 112.7 | L707 E708 V709 | T705-L707 VanDerWaalsContact C-N 3.3Å; T705-L707 PolarHBondContact O-N 3.34Å; T705-E708 PolarHBondContact N-OE2 3.05Å; T705-E708 VanDerWaalsContact N-OE2 3.1Å; T705-E708 PolarHBondContact O-N 3.14Å; T705-E708 VanDerWaalsContact OG1-CG 3.26Å; T705-E708 WeakPolarHBondContact OG1-CG 3.38Å; T705-E708 PolarHBondContact OG1-OE2 3.27Å; T705-V709 WeakPolarHBondContact O-CG2 3.5Å; T705-V709 PolarHBondContact O-N 2.92Å |
| 706 | Q | 86.9 | Confident | 86 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58 | -39.1 | 179.7 | -176.6 | 176.5 | 17.3 | 0 | 0 | 113.3 | V709 Q710 H763 E766 L769 | Q706-V709 PolarHBondContact O-N 3.47Å; Q706-Q710 WeakPolarHBondContact O-CB 3.39Å; Q706-Q710 PolarHBondContact O-N 2.86Å; Q706-H763 HydrophobicContact CB-CB 4.39Å; Q706-H763 HydrophobicContact CG-CB 4.49Å; Q706-E766 PolarHBondContact NE2-OE2 2.96Å; Q706-L769 HydrophobicContact CG-CD1 4.04Å |
| 707 | L | 87.5 | Confident | 86.5 | Confident | 127 Ų | 127 | 57.8 Ų | 57.8 | 67% | 0.665 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | 179.6 | -76.9 | 162.4 | 0 | 0 | 0 | 111.8 | T705 Q710 Q711 | T705-L707 VanDerWaalsContact C-N 3.3Å; T705-L707 PolarHBondContact O-N 3.34Å; L707-Q710 PolarHBondContact O-N 3.24Å; L707-Q711 PolarHBondContact O-N 3.01Å |
| 708 | E | 89.4 | Confident | 86.7 | Confident | 83 Ų | 83 | 58.7 Ų | 58.7 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.8 | -70.5 | 165.1 | 149 | 0 | 0 | 111.3 | P704 T705 Q710 Q711 Q712 | P704-E708 WeakPolarHBondContact CD-OE2 3.32Å; P704-E708 VanDerWaalsContact CG-OE2 3.25Å; P704-E708 WeakPolarHBondContact CG-OE2 3.42Å; T705-E708 PolarHBondContact N-OE2 3.05Å; T705-E708 VanDerWaalsContact N-OE2 3.1Å; T705-E708 PolarHBondContact O-N 3.14Å; T705-E708 VanDerWaalsContact OG1-CG 3.26Å; T705-E708 WeakPolarHBondContact OG1-CG 3.38Å; T705-E708 PolarHBondContact OG1-OE2 3.27Å; E708-Q710 VanDerWaalsContact C-N 3.33Å; E708-Q710 PolarHBondContact O-N 3.25Å; E708-Q711 PolarHBondContact O-N 3.04Å; E708-Q712 WeakPolarHBondContact O-CB 3.44Å; E708-Q712 WeakPolarHBondContact O-CG 3.13Å; E708-Q712 PolarHBondContact O-N 3.47Å |
| 709 | V | 88.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | I701 G703 T705 Q706 Q711 Q712 L713 A764 | I701-V709 HydrophobicContact CG2-CG1 4.25Å; G703-V709 VanDerWaalsContact O-CG2 3.28Å; G703-V709 WeakPolarHBondContact O-CG2 3.36Å; T705-V709 WeakPolarHBondContact O-CG2 3.5Å; T705-V709 PolarHBondContact O-N 2.92Å; Q706-V709 PolarHBondContact O-N 3.47Å; V709-Q711 VanDerWaalsContact C-N 3.35Å; V709-Q711 PolarHBondContact O-N 3.4Å; V709-Q712 PolarHBondContact O-N 3.45Å; V709-L713 HydrophobicContact CG1-CD1 3.88Å; V709-L713 HydrophobicContact CG1-CG 4.38Å; V709-L713 WeakPolarHBondContact O-CB 3.32Å; V709-L713 VanDerWaalsContact O-CG 3.27Å; V709-L713 WeakPolarHBondContact O-CG 3.41Å; V709-L713 PolarHBondContact O-N 3.07Å; V709-A764 HydrophobicContact CG1-CB 4.15Å |
| 710 | Q | 89 | Confident | 86.1 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -43 | 176.1 | -178.5 | 174.8 | 34.9 | 0 | 0 | 112.1 | Q706 L707 E708 R714 L769 | Q706-Q710 WeakPolarHBondContact O-CB 3.39Å; Q706-Q710 PolarHBondContact O-N 2.86Å; L707-Q710 PolarHBondContact O-N 3.24Å; E708-Q710 VanDerWaalsContact C-N 3.33Å; E708-Q710 PolarHBondContact O-N 3.25Å; Q710-R714 WeakPolarHBondContact O-CB 3.35Å; Q710-R714 WeakPolarHBondContact O-CG 3.06Å; Q710-R714 PolarHBondContact O-N 2.9Å; Q710-L769 HydrophobicContact CB-CD1 4.24Å; Q710-L769 HydrophobicContact CB-CD2 3.83Å; Q710-L769 HydrophobicContact CG-CD2 3.61Å |
| 711 | Q | 88.9 | Confident | 85.3 | Confident | 125 Ų | 125 | 60.9 Ų | 60.9 | 58% | 0.584 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.1 | -42.7 | 178.6 | -168.7 | 174 | 3.2 | 0 | 0 | 111.6 | L707 E708 V709 R714 N715 | L707-Q711 PolarHBondContact O-N 3.01Å; E708-Q711 PolarHBondContact O-N 3.04Å; V709-Q711 VanDerWaalsContact C-N 3.35Å; V709-Q711 PolarHBondContact O-N 3.4Å; Q711-R714 PolarHBondContact O-N 2.95Å; Q711-N715 WeakPolarHBondContact O-CB 3.45Å; Q711-N715 PolarHBondContact O-N 3.46Å; Q711-N715 PolarHBondContact O-OD1 2.99Å |
| 712 | Q | 88.6 | Confident | 84 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 175.2 | -74 | 178.1 | -11.7 | 0 | 0 | 112 | I701 E708 V709 N715 A716 | I701-Q712 HydrophobicContact CG2-CB 4.4Å; E708-Q712 WeakPolarHBondContact O-CB 3.44Å; E708-Q712 WeakPolarHBondContact O-CG 3.13Å; E708-Q712 PolarHBondContact O-N 3.47Å; V709-Q712 PolarHBondContact O-N 3.45Å; Q712-N715 PolarHBondContact O-N 2.92Å; Q712-A716 WeakPolarHBondContact O-CB 3.39Å; Q712-A716 PolarHBondContact O-N 2.96Å |
| 713 | L | 87.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.6 | -76.3 | 169.3 | 0 | 0 | 0 | 112 | I701 V709 K717 A764 T772 L773 L776 | I701-L713 HydrophobicContact CD1-CD2 3.28Å; I701-L713 HydrophobicContact CD1-CG 3.87Å; V709-L713 HydrophobicContact CG1-CD1 3.88Å; V709-L713 HydrophobicContact CG1-CG 4.38Å; V709-L713 WeakPolarHBondContact O-CB 3.32Å; V709-L713 VanDerWaalsContact O-CG 3.27Å; V709-L713 WeakPolarHBondContact O-CG 3.41Å; V709-L713 PolarHBondContact O-N 3.07Å; L713-K717 WeakPolarHBondContact O-CB 3.5Å; L713-K717 PolarHBondContact O-N 3.47Å; L713-A764 HydrophobicContact CD1-CB 4.2Å; L713-T772 HydrophobicContact CB-CG2 4.28Å; L713-L773 HydrophobicContact CD2-CD1 3.91Å; L713-L776 HydrophobicContact CD2-CD2 3.64Å |
| 714 | R | 87.1 | Confident | 81 | Confident | 135 Ų | 135 | 65.1 Ų | 65.1 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -47.7 | 177.6 | -76 | 179.6 | 177.4 | -177.1 | -0.2 | 111.7 | Q710 Q711 A716 K717 D718 | Q710-R714 WeakPolarHBondContact O-CB 3.35Å; Q710-R714 WeakPolarHBondContact O-CG 3.06Å; Q710-R714 PolarHBondContact O-N 2.9Å; Q711-R714 PolarHBondContact O-N 2.95Å; R714-A716 VanDerWaalsContact C-N 3.31Å; R714-A716 PolarHBondContact O-N 3.38Å; R714-K717 PolarHBondContact O-N 2.89Å; R714-K717 VanDerWaalsContact O-N 3.14Å; R714-D718 WeakPolarHBondContact O-CB 3.35Å; R714-D718 VanDerWaalsContact O-CG 3.29Å; R714-D718 PolarHBondContact O-N 3.32Å |
| 715 | N | 87.3 | Confident | 79.4 | Confident | 81 Ų | 81 | 70.2 Ų | 70.2 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 177.6 | -68.6 | -4.5 | 0 | 0 | 0 | 111.5 | Q711 Q712 D718 N719 | Q711-N715 WeakPolarHBondContact O-CB 3.45Å; Q711-N715 PolarHBondContact O-N 3.46Å; Q711-N715 PolarHBondContact O-OD1 2.99Å; Q712-N715 PolarHBondContact O-N 2.92Å; N715-D718 PolarHBondContact O-N 3.43Å; N715-N719 WeakPolarHBondContact O-CB 3.31Å; N715-N719 PolarHBondContact O-N 3.35Å; N715-N719 PolarHBondContact O-OD1 2.84Å |
| 716 | A | 84.1 | Confident | 77.4 | Confident | 4 Ų | 4 | 74.2 Ų | 74.2 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F699 Q712 R714 N719 I720 L776 | F699-A716 HydrophobicContact CB-CB 4.32Å; F699-A716 HydrophobicContact CD1-CB 3.69Å; F699-A716 HydrophobicContact CD2-CB 4.42Å; F699-A716 HydrophobicContact CE1-CB 4.09Å; F699-A716 HydrophobicContact CG-CB 3.88Å; Q712-A716 WeakPolarHBondContact O-CB 3.39Å; Q712-A716 PolarHBondContact O-N 2.96Å; R714-A716 VanDerWaalsContact C-N 3.31Å; R714-A716 PolarHBondContact O-N 3.38Å; A716-N719 PolarHBondContact O-N 3.39Å; A716-I720 WeakPolarHBondContact O-CG1 3.35Å; A716-I720 PolarHBondContact O-N 2.95Å; A716-L776 HydrophobicContact CB-CD1 4.03Å; A716-L776 HydrophobicContact CB-CD2 3.91Å |
| 717 | K | 83.1 | Confident | 75.3 | Confident | 47 Ų | 47 | 76.5 Ų | 76.5 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 177.4 | -172.3 | 172.6 | -179.1 | 172.1 | 0 | 111.9 | L713 R714 I720 L721 T772 D775 L776 | L713-K717 WeakPolarHBondContact O-CB 3.5Å; L713-K717 PolarHBondContact O-N 3.47Å; R714-K717 PolarHBondContact O-N 2.89Å; R714-K717 VanDerWaalsContact O-N 3.14Å; K717-I720 PolarHBondContact O-N 3.21Å; K717-L721 HydrophobicContact CG-CD1 3.86Å; K717-L721 WeakPolarHBondContact O-CB 3.3Å; K717-L721 WeakPolarHBondContact O-CG 2.94Å; K717-L721 PolarHBondContact O-N 3.41Å; K717-T772 HydrophobicContact CD-CG2 4.49Å; K717-D775 IonicContact NZ-OD2 2.83Å; K717-D775 PolarHBondContact NZ-OD2 3.43Å; K717-L776 HydrophobicContact CB-CD1 4.33Å |
| 718 | D | 83.8 | Confident | 73.2 | Confident | 100 Ų | 100 | 74.6 Ų | 74.6 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.1 | -34.5 | 179.5 | -70.6 | -19.9 | 0 | 0 | 0 | 111.8 | R714 N715 G722 | R714-D718 WeakPolarHBondContact O-CB 3.35Å; R714-D718 VanDerWaalsContact O-CG 3.29Å; R714-D718 PolarHBondContact O-N 3.32Å; N715-D718 PolarHBondContact O-N 3.43Å; D718-G722 WeakPolarHBondContact O-CA 3.41Å; D718-G722 PolarHBondContact O-N 3.38Å |
| 719 | N | 81.9 | Confident | 70.7 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 40% | 0.401 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 172.8 | -74.6 | -4.6 | 0 | 0 | 0 | 111.2 | F699 N715 A716 L723 | F699-N719 HydrophobicContact CE1-CB 4.32Å; F699-N719 HydrophobicContact CZ-CB 4.36Å; N715-N719 WeakPolarHBondContact O-CB 3.31Å; N715-N719 PolarHBondContact O-N 3.35Å; N715-N719 PolarHBondContact O-OD1 2.84Å; A716-N719 PolarHBondContact O-N 3.39Å; N719-L723 VanDerWaalsContact O-CD1 3.29Å; N719-L723 WeakPolarHBondContact O-CD1 3.12Å; N719-L723 PolarHBondContact O-N 2.91Å; N719-L723 VanDerWaalsContact O-N 3.14Å |
| 720 | I | 77.1 | Confident | 68.2 | Low | 4 Ų | 4 | 79.4 Ų | 79.4 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 179 | -64.4 | 171.6 | 0 | 0 | 0 | 111.3 | F699 A716 K717 S724 Y752 L776 L779 | F699-I720 HydrophobicContact CD2-CD1 4.35Å; F699-I720 HydrophobicContact CE2-CD1 3.62Å; F699-I720 HydrophobicContact CE2-CG1 3.66Å; F699-I720 HydrophobicContact CZ-CD1 4.24Å; F699-I720 HydrophobicContact CZ-CG1 3.82Å; A716-I720 WeakPolarHBondContact O-CG1 3.35Å; A716-I720 PolarHBondContact O-N 2.95Å; K717-I720 PolarHBondContact O-N 3.21Å; I720-S724 PolarHBondContact O-N 3.48Å; I720-S724 PolarHBondContact O-OG 3.09Å; I720-Y752 HydrophobicContact CB-CE2 4.18Å; I720-Y752 HydrophobicContact CD1-CD2 4.14Å; I720-Y752 HydrophobicContact CD1-CG 4.27Å; I720-Y752 HydrophobicContact CG1-CD1 4.33Å; I720-Y752 HydrophobicContact CG1-CD2 3.87Å; I720-Y752 HydrophobicContact CG1-CE1 4.31Å; I720-Y752 HydrophobicContact CG1-CE2 3.8Å; I720-Y752 HydrophobicContact CG1-CG 4.12Å; I720-Y752 HydrophobicContact CG2-CD2 4.14Å; I720-Y752 HydrophobicContact CG2-CE2 3.78Å; I720-L776 HydrophobicContact CD1-CD1 3.53Å; I720-L779 HydrophobicContact CD1-CB 4.48Å; I720-L779 HydrophobicContact CG2-CD1 4.16Å |
| 721 | L | 72.3 | Confident | 65.7 | Low | 82 Ų | 82 | 84.5 Ų | 84.5 | 43% | 0.429 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -75.2 | -33.9 | -178.9 | -68.6 | 171.2 | 0 | 0 | 0 | 112.8 | K717 S724 R725 | K717-L721 HydrophobicContact CG-CD1 3.86Å; K717-L721 WeakPolarHBondContact O-CB 3.3Å; K717-L721 WeakPolarHBondContact O-CG 2.94Å; K717-L721 PolarHBondContact O-N 3.41Å; L721-S724 WeakPolarHBondContact O-CB 3.4Å; L721-S724 PolarHBondContact O-N 3.15Å; L721-R725 PolarHBondContact O-N 3.29Å |
| 722 | G | 61.8 | Low | 63.1 | Low | 37 Ų | 37 | 85.6 Ų | 85.6 | 38% | 0.381 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D718 S724 R725 | D718-G722 WeakPolarHBondContact O-CA 3.41Å; D718-G722 PolarHBondContact O-N 3.38Å; G722-S724 VanDerWaalsContact C-N 3.32Å; G722-S724 PolarHBondContact O-N 2.67Å; G722-R725 PolarHBondContact O-N 3.13Å |
| 723 | L | 55.7 | Low | 60.4 | Low | 92 Ų | 92 | 91.2 Ų | 91.2 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | 171.8 | -92.9 | 125.8 | 0 | 0 | 0 | 112.2 | N719 R725 M726 S727 | N719-L723 VanDerWaalsContact O-CD1 3.29Å; N719-L723 WeakPolarHBondContact O-CD1 3.12Å; N719-L723 PolarHBondContact O-N 2.91Å; N719-L723 VanDerWaalsContact O-N 3.14Å; L723-R725 VanDerWaalsContact C-N 3.28Å; L723-R725 PolarHBondContact O-N 3.26Å; L723-M726 PolarHBondContact O-N 3.32Å; L723-S727 PolarHBondContact O-N 3.48Å; L723-S727 PolarHBondContact O-OG 3.16Å |
| 724 | S | 51.1 | Low | 57.9 | Low | 34 Ų | 34 | 100.9 Ų | 100.9 | 24% | 0.238 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -64.4 | -30.2 | 177.4 | -65 | 0 | 0 | 0 | 0 | 113.1 | I720 L721 G722 S728 | I720-S724 PolarHBondContact O-N 3.48Å; I720-S724 PolarHBondContact O-OG 3.09Å; L721-S724 WeakPolarHBondContact O-CB 3.4Å; L721-S724 PolarHBondContact O-N 3.15Å; G722-S724 VanDerWaalsContact C-N 3.32Å; G722-S724 PolarHBondContact O-N 2.67Å; S724-S728 PolarHBondContact O-OG 3.02Å |
| 725 | R | 49.1 | Very low | 55.2 | Low | 203 Ų | 203 | 102.4 Ų | 102.4 | 77% | 0.766 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.2 | -30.1 | 177 | -77.5 | -179 | 161.9 | 170.9 | -4 | 113.6 | L721 G722 L723 S728 | L721-R725 PolarHBondContact O-N 3.29Å; G722-R725 PolarHBondContact O-N 3.13Å; L723-R725 VanDerWaalsContact C-N 3.28Å; L723-R725 PolarHBondContact O-N 3.26Å; R725-S728 PolarHBondContact O-OG 3.46Å |
| 726 | M | 45.3 | Very low | 52.6 | Low | 150 Ų | 150 | 106 Ų | 106 | 74% | 0.739 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -79.3 | -24.1 | -176.2 | -146.8 | 111.9 | 70.1 | 0 | 0 | 112.7 | L723 S728 T729 | L723-M726 PolarHBondContact O-N 3.32Å; M726-S728 VanDerWaalsContact C-N 3.33Å; M726-T729 PolarHBondContact O-OG1 3.25Å |
| 727 | S | 43.5 | Very low | 49.9 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -13.6 | 176.2 | -55.9 | 0 | 0 | 0 | 0 | 113.9 | L723 | L723-S727 PolarHBondContact O-N 3.48Å; L723-S727 PolarHBondContact O-OG 3.16Å |
| 728 | S | 43.9 | Very low | 47.4 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 62% | 0.615 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 2 | -178.4 | 38.2 | 0 | 0 | 0 | 0 | 114.8 | S724 R725 M726 G730 | S724-S728 PolarHBondContact O-OG 3.02Å; R725-S728 PolarHBondContact O-OG 3.46Å; M726-S728 VanDerWaalsContact C-N 3.33Å; S728-G730 PolarHBondContact O-N 2.85Å; S728-G730 VanDerWaalsContact O-N 3.08Å |
| 729 | T | 36.6 | Very low | 45.2 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | trans | -85.8 | 63 | 172.1 | 49.7 | 0 | 0 | 0 | 0 | 111.6 | M726 | M726-T729 PolarHBondContact O-OG1 3.25Š| ||
| 730 | G | 35.1 | Very low | 42.7 | Very low | 61 Ų | 61 | 125 Ų | 125 | 63% | 0.629 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -131.4 | 93.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | S728 | S728-G730 PolarHBondContact O-N 2.85Å; S728-G730 VanDerWaalsContact O-N 3.08Å |
| 731 | D | 36.3 | Very low | 40.4 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 85% | 0.85 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 31.9 | 110.8 | 167.5 | -60.9 | -27.3 | 0 | 0 | 0 | 118.8 | ||
| 732 | V | 33.6 | Very low | 38.5 | Very low | 148 Ų | 148 | 134 Ų | 134 | 90% | 0.897 | 75% | 0.745 | S | S | * | * | -176.3 | 143.6 | 113.9 | 155.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 733 | E | 33.4 | Very low | 37.2 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | -62.5 | 152.3 | -170.5 | -65.4 | 174.8 | 136.4 | 0 | 0 | 115.6 | ||||
| 734 | K | 34.5 | Very low | 35.9 | Very low | 203 Ų | 203 | 143 Ų | 143 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -26.1 | 127.7 | 164.5 | -69.4 | 166.5 | 171.9 | 173.8 | 0 | 115.6 | ||||
| 735 | D | 29.8 | Very low | 35.1 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | -147.5 | 119.8 | 127.4 | -120.5 | -10.8 | 0 | 0 | 0 | 109.6 | |||||
| 736 | D | 32.1 | Very low | 34.6 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -81.6 | 151.4 | 171.3 | -97.5 | -38.3 | 0 | 0 | 0 | 109.2 | ||||
| 737 | M | 28.8 | Very low | 34 | Very low | 175 Ų | 175 | 146 Ų | 146 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | trans | 106.4 | 88.4 | 167 | -53.9 | -151.8 | 79.2 | 0 | 0 | 115.7 | ||||
| 738 | L | 29.3 | Very low | 33.8 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | -173 | 122.8 | 116.5 | -92.7 | 157.6 | 0 | 0 | 0 | 109 | |||||
| 739 | A | 38 | Very low | 33.9 | Very low | 91 Ų | 91 | 149.7 Ų | 149.7 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -69.5 | 154.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 740 | E | 30.6 | Very low | 34.6 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | 88.7 | 87.7 | 179.7 | -56.9 | -176.4 | 162.4 | 0 | 0 | 115.5 | ||||
| 741 | D | 27 | Very low | 36.4 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | -167.7 | 114.5 | 125.1 | -99.9 | -22.5 | 0 | 0 | 0 | 111.6 | V743 | D741-V743 VanDerWaalsContact C-N 3.29Å; D741-V743 PolarHBondContact O-N 3.48Å | |||
| 742 | S | 32.7 | Very low | 38.7 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 64.3 | 179.3 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 743 | V | 34.5 | Very low | 41.4 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 70% | 0.703 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | 1.5 | -179.1 | -172 | 0 | 0 | 0 | 0 | 113.4 | D741 | D741-V743 VanDerWaalsContact C-N 3.29Å; D741-V743 PolarHBondContact O-N 3.48Å |
| 744 | F | 29.7 | Very low | 44.1 | Very low | 203 Ų | 203 | 120.8 Ų | 120.8 | 89% | 0.89 | 64% | 0.635 | S | S | * | * | trans | -110.1 | 45.5 | -172.9 | -111.4 | -84.9 | 0 | 0 | 0 | 115.2 | ||||
| 745 | E | 34.2 | Very low | 46.9 | Very low | 186 Ų | 186 | 111.1 Ų | 111.1 | 87% | 0.869 | 59% | 0.592 | S | S | * | * | trans | -127.2 | 27.5 | -179.3 | -142.2 | 168 | -156 | 0 | 0 | 113.9 | ||||
| 746 | E | 36.9 | Very low | 49.9 | Very low | 137 Ų | 137 | 103.2 Ų | 103.2 | 64% | 0.64 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -118.2 | 11.9 | -173.3 | -116.3 | -176.6 | -165.2 | 0 | 0 | 117 | ||
| 747 | T | 32.6 | Very low | 52.6 | Low | 126 Ų | 126 | 96.9 Ų | 96.9 | 77% | 0.773 | 52% | 0.518 | S | S | * | . | trans | -141.1 | 64.1 | 176.3 | 36.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 748 | I | 39.4 | Very low | 55.3 | Low | 119 Ų | 119 | 88.6 Ų | 88.6 | 61% | 0.61 | 48% | 0.478 | S | S | * | . | trans | -132.3 | 89.7 | 155.2 | -51.6 | 177.4 | 0 | 0 | 0 | 106.9 | S750 | I748-S750 PolarHBondContact O-N 3.35Š| ||
| 749 | I | 46.1 | Very low | 58 | Low | 158 Ų | 158 | 86.9 Ų | 86.9 | 81% | 0.81 | 47% | 0.465 | S | S | * | . | trans | -75.5 | 80.9 | 169.8 | -57.2 | 169.3 | 0 | 0 | 0 | 106.4 | E751 | I749-E751 HydrophobicContact CG2-CG 4.05Š| ||
| 750 | S | 52.9 | Low | 60.5 | Low | 23 Ų | 23 | 82.6 Ų | 82.6 | 16% | 0.161 | 43% | 0.429 | C | S | . | . | trans | -109 | 109.7 | 165.7 | 49.9 | 0 | 0 | 0 | 0 | 107.1 | I748 Y752 | I748-S750 PolarHBondContact O-N 3.35Å; S750-Y752 WeakPolarHBondContact O-CD2 3.48Å; S750-Y752 PolarHBondContact O-N 3.32Å; S750-Y752 WeakPolarHBondContact OG-CE2 3.27Å | ||
| 751 | E | 71.6 | Confident | 63.3 | Low | 35 Ų | 35 | 73.8 Ų | 73.8 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | trans | -82.1 | 83.2 | -171.3 | -57 | -163.9 | 140.3 | 0 | 0 | 109.8 | R692 M695 N696 I749 K781 | R692-E751 IonicContact CZ-OE1 2.64Å; R692-E751 IonicContact CZ-OE2 3.53Å; R692-E751 IonicContact NE-OE2 2.96Å; R692-E751 IonicContact NH2-OE1 2.86Å; R692-E751 PolarHBondContact NH2-OE1 3.39Å; R692-E751 IonicContact NH2-OE2 3.26Å; R692-E751 PolarHBondContact NH2-OE2 3.44Å; M695-E751 WeakPolarHBondContact CA-O 3.47Å; M695-E751 VanDerWaalsContact CB-O 3.27Å; M695-E751 WeakPolarHBondContact CB-O 3.24Å; M695-E751 HydrophobicContact CG-CB 4.08Å; N696-E751 PolarHBondContact N-O 2.91Å; I749-E751 HydrophobicContact CG2-CG 4.05Å; E751-K781 IonicContact OE1-NZ 3.85Å; E751-K781 PolarHBondContact OE1-NZ 3.4Å | ||
| 752 | Y | 85.9 | Confident | 66.2 | Low | 6 Ų | 6 | 68.7 Ų | 68.7 | 2% | 0.024 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 148.4 | 174.1 | -59.7 | -70.9 | 0 | 0 | 0 | 111.6 | N696 E697 F699 I720 S750 C780 K781 | N696-Y752 HydrophobicContact CB-CD1 4.07Å; N696-Y752 HydrophobicContact CB-CE1 3.67Å; E697-Y752 HydrophobicContact CB-CD1 3.97Å; E697-Y752 HydrophobicContact CB-CE1 4.14Å; F699-Y752 AromaticContact CE2-CD1 3.56Å; F699-Y752 HydrophobicContact CE2-CD1 3.56Å; F699-Y752 HydrophobicContact CE2-CE1 4.25Å; F699-Y752 AromaticContact CE2-CG 3.94Å; F699-Y752 HydrophobicContact CE2-CG 3.94Å; F699-Y752 AromaticContact CZ-CD1 3.99Å; F699-Y752 HydrophobicContact CZ-CD1 3.99Å; F699-Y752 HydrophobicContact CZ-CE1 4.24Å; I720-Y752 HydrophobicContact CB-CE2 4.18Å; I720-Y752 HydrophobicContact CD1-CD2 4.14Å; I720-Y752 HydrophobicContact CD1-CG 4.27Å; I720-Y752 HydrophobicContact CG1-CD1 4.33Å; I720-Y752 HydrophobicContact CG1-CD2 3.87Å; I720-Y752 HydrophobicContact CG1-CE1 4.31Å; I720-Y752 HydrophobicContact CG1-CE2 3.8Å; I720-Y752 HydrophobicContact CG1-CG 4.12Å; I720-Y752 HydrophobicContact CG2-CD2 4.14Å; I720-Y752 HydrophobicContact CG2-CE2 3.78Å; S750-Y752 WeakPolarHBondContact O-CD2 3.48Å; S750-Y752 PolarHBondContact O-N 3.32Å; S750-Y752 WeakPolarHBondContact OG-CE2 3.27Å; Y752-C780 WeakPolarHBondContact O-CA 3.39Å; Y752-K781 PolarHBondContact O-N 2.79Å |
| 753 | A | 88.8 | Confident | 68.9 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L691 M695 E697 V698 F699 T782 | L691-A753 HydrophobicContact CD2-CB 3.42Å; L691-A753 VanDerWaalsContact CD2-CB 3.42Å; M695-A753 HydrophobicContact SD-CB 4.01Å; E697-A753 PolarHBondContact O-N 3.29Å; V698-A753 WeakPolarHBondContact CA-O 3.41Å; V698-A753 HydrophobicContact CG1-CB 4.3Å; V698-A753 HydrophobicContact CG2-CB 4.3Å; F699-A753 PolarHBondContact N-O 2.88Å; A753-T782 WeakPolarHBondContact CA-O 3.45Å |
| 754 | L | 91.7 | Very high | 71.5 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.8 | 177.9 | 178.8 | 64.2 | 0 | 0 | 0 | 110.3 | F699 I701 L773 L776 A777 C780 T782 V783 I784 | F699-L754 HydrophobicContact CB-CD1 4.09Å; I701-L754 HydrophobicContact CD1-CD1 3.61Å; I701-L754 HydrophobicContact CG1-CD1 3.98Å; L754-L773 HydrophobicContact CD2-CD1 4.33Å; L754-L776 HydrophobicContact CD1-CD2 3.99Å; L754-L776 HydrophobicContact CD2-CD2 4.29Å; L754-L776 HydrophobicContact CD2-CG 4.4Å; L754-A777 HydrophobicContact CD2-CB 4.06Å; L754-C780 HydrophobicContact CB-CB 4.22Å; L754-T782 PolarHBondContact N-O 3.2Å; L754-V783 HydrophobicContact CB-CG1 4.4Å; L754-V783 HydrophobicContact CB-CG2 4.31Å; L754-V783 HydrophobicContact CD2-CG1 4.24Å; L754-V783 HydrophobicContact CG-CG1 4.46Å; L754-V783 CarbonylContact O-C 3.59Å; L754-V783 WeakPolarHBondContact O-CA 3.43Å; L754-I784 PolarHBondContact O-N 3.33Å |
| 755 | V | 92 | Very high | 74.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118.9 | 173.3 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | L678 M682 V698 F699 V700 I701 I784 | L678-V755 HydrophobicContact CD1-CG1 3.71Å; L678-V755 HydrophobicContact CG-CG1 4.06Å; M682-V755 HydrophobicContact CG-CG2 4.46Å; V698-V755 HydrophobicContact CG1-CG2 3.83Å; F699-V755 PolarHBondContact O-N 3.22Å; V700-V755 CarbonylContact C-O 3.57Å; V700-V755 WeakPolarHBondContact CA-O 3.38Å; V700-V755 HydrophobicContact CG2-CB 4.37Å; I701-V755 PolarHBondContact N-O 3.31Å; V755-I784 CarbonylContact C-O 3.44Å; V755-I784 VanDerWaalsContact CA-O 3.27Å; V755-I784 WeakPolarHBondContact CA-O 3.45Å; V755-I784 HydrophobicContact CG2-CB 4.37Å |
| 756 | I | 92.8 | Very high | 77 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.7 | -178.1 | -171.4 | 165.5 | 0 | 0 | 0 | 111.7 | I701 L761 A764 L773 I784 C785 C786 | I701-I756 HydrophobicContact CB-CB 4.35Å; I701-I756 HydrophobicContact CB-CD1 4.43Å; I701-I756 HydrophobicContact CB-CG1 4.06Å; I701-I756 HydrophobicContact CG2-CD1 4.23Å; I701-I756 HydrophobicContact CG2-CG1 4.18Å; I756-L761 HydrophobicContact CD1-CB 4.2Å; I756-L761 HydrophobicContact CD1-CD1 4.12Å; I756-L761 HydrophobicContact CG1-CB 4.23Å; I756-L761 HydrophobicContact CG2-CD1 4.29Å; I756-A764 HydrophobicContact CD1-CB 4.05Å; I756-L773 HydrophobicContact CD1-CD1 3.96Å; I756-I784 PolarHBondContact N-O 3.33Å; I756-C785 HydrophobicContact CG2-CB 4.07Å; I756-C785 WeakPolarHBondContact CG2-SG 3.23Å; I756-C785 WeakPolarHBondContact O-CA 3.36Å; I756-C786 PolarHBondContact O-N 3.36Å |
| 757 | S | 89.5 | Confident | 79.3 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 149.7 | 175.5 | 84.7 | 0 | 0 | 0 | 0 | 112.1 | I701 H759 S760 L761 C786 | I701-S757 PolarHBondContact O-N 2.88Å; S757-H759 VanDerWaalsContact C-N 3.3Å; S757-H759 PolarHBondContact O-N 2.73Å; S757-S760 PolarHBondContact O-N 3.14Å; S757-S760 VanDerWaalsContact O-N 3.16Å; S757-S760 WeakPolarHBondContact OG-CB 3.5Å; S757-S760 PolarHBondContact OG-N 3.42Å; S757-S760 PolarHBondContact OG-OG 3.24Å; S757-L761 WeakPolarHBondContact O-CB 3.15Å; S757-L761 PolarHBondContact O-N 3.34Å; S757-C786 CarbonylContact C-O 3.59Å |
| 758 | G | 85.2 | Confident | 81.9 | Confident | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -30.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A762 C786 Q792 | G758-A762 PolarHBondContact O-N 3.31Å; G758-A762 VanDerWaalsContact O-N 3.12Å; G758-C786 WeakPolarHBondContact CA-O 3.38Å; G758-C786 PolarHBondContact N-O 2.7Å; G758-Q792 PolarHBondContact O-NE2 3.17Å |
| 759 | H | 86.1 | Confident | 84.1 | Confident | 137 Ų | 137 | 39.4 Ų | 39.4 | 63% | 0.634 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -70.7 | -46 | 173.7 | -66.6 | -70.7 | 0 | 0 | 0 | 111.3 | S757 L761 A762 H763 | S757-H759 VanDerWaalsContact C-N 3.3Å; S757-H759 PolarHBondContact O-N 2.73Å; H759-L761 VanDerWaalsContact C-N 3.29Å; H759-L761 PolarHBondContact O-N 2.93Å; H759-A762 WeakPolarHBondContact O-CB 3.27Å; H759-A762 PolarHBondContact O-N 3.05Å; H759-H763 PolarHBondContact O-CD2 2.99Å |
| 760 | S | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.6 | -35.9 | 174.9 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | S702 G703 S757 A762 H763 A764 | S702-S760 WeakPolarHBondContact CA-OG 3.39Å; G703-S760 PolarHBondContact N-OG 3.33Å; G703-S760 PolarHBondContact O-OG 2.64Å; S757-S760 PolarHBondContact O-N 3.14Å; S757-S760 VanDerWaalsContact O-N 3.16Å; S757-S760 WeakPolarHBondContact OG-CB 3.5Å; S757-S760 PolarHBondContact OG-N 3.42Å; S757-S760 PolarHBondContact OG-OG 3.24Å; S760-A762 VanDerWaalsContact C-N 3.32Å; S760-A762 PolarHBondContact O-N 3.5Å; S760-H763 PolarHBondContact O-N 3.39Å; S760-A764 WeakPolarHBondContact O-CB 3.41Å; S760-A764 PolarHBondContact O-N 3.35Å |
| 761 | L | 90.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.4 | -177.3 | 65.4 | 0 | 0 | 0 | 111.7 | I756 S757 H759 H763 A764 L765 L773 C785 V788 V796 | I756-L761 HydrophobicContact CD1-CB 4.2Å; I756-L761 HydrophobicContact CD1-CD1 4.12Å; I756-L761 HydrophobicContact CG1-CB 4.23Å; I756-L761 HydrophobicContact CG2-CD1 4.29Å; S757-L761 WeakPolarHBondContact O-CB 3.15Å; S757-L761 PolarHBondContact O-N 3.34Å; H759-L761 VanDerWaalsContact C-N 3.29Å; H759-L761 PolarHBondContact O-N 2.93Å; L761-H763 VanDerWaalsContact C-N 3.28Å; L761-H763 PolarHBondContact O-N 3.01Å; L761-A764 PolarHBondContact O-N 3.45Å; L761-L765 HydrophobicContact CD1-CD1 4.25Å; L761-L765 HydrophobicContact CD1-CG 4.05Å; L761-L765 HydrophobicContact CD2-CD1 4.44Å; L761-L765 HydrophobicContact CG-CD1 3.88Å; L761-L765 HydrophobicContact CG-CG 4.15Å; L761-L765 WeakPolarHBondContact O-CB 3.44Å; L761-L765 VanDerWaalsContact O-CG 3.25Å; L761-L765 WeakPolarHBondContact O-CG 3.37Å; L761-L765 PolarHBondContact O-N 3.06Å; L761-L773 HydrophobicContact CD1-CD2 3.88Å; L761-C785 HydrophobicContact CD2-CB 4.32Å; L761-V788 HydrophobicContact CD2-CG1 3.94Å; L761-V788 HydrophobicContact CD2-CG2 4.3Å; L761-V796 HydrophobicContact CD1-CG2 4.16Å; L761-V796 HydrophobicContact CD2-CG2 3.88Å; L761-V796 HydrophobicContact CG-CG2 4.45Å |
| 762 | A | 87.9 | Confident | 88.7 | Confident | 42 Ų | 42 | 37.1 Ų | 37.1 | 35% | 0.347 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | G758 H759 S760 | G758-A762 PolarHBondContact O-N 3.31Å; G758-A762 VanDerWaalsContact O-N 3.12Å; H759-A762 WeakPolarHBondContact O-CB 3.27Å; H759-A762 PolarHBondContact O-N 3.05Å; S760-A762 VanDerWaalsContact C-N 3.32Å; S760-A762 PolarHBondContact O-N 3.5Å |
| 763 | H | 89.1 | Confident | 88.9 | Confident | 54 Ų | 54 | 37.4 Ų | 37.4 | 25% | 0.25 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.7 | -37 | 175.2 | -65.7 | -55.9 | 0 | 0 | 0 | 112.5 | Q706 H759 S760 L761 L765 E766 | Q706-H763 HydrophobicContact CB-CB 4.39Å; Q706-H763 HydrophobicContact CG-CB 4.49Å; H759-H763 PolarHBondContact O-CD2 2.99Å; S760-H763 PolarHBondContact O-N 3.39Å; L761-H763 VanDerWaalsContact C-N 3.28Å; L761-H763 PolarHBondContact O-N 3.01Å; H763-L765 VanDerWaalsContact C-N 3.28Å; H763-L765 PolarHBondContact O-N 3.26Å; H763-E766 IonicContact ND1-OE1 3.81Å; H763-E766 PolarHBondContact ND1-OE1 3.29Å; H763-E766 WeakPolarHBondContact O-CB 3.36Å; H763-E766 WeakPolarHBondContact O-CG 3.39Å; H763-E766 PolarHBondContact O-N 2.84Å |
| 764 | A | 89.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.6 | -23.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V709 L713 I756 S760 L761 E766 L769 E770 L773 | V709-A764 HydrophobicContact CG1-CB 4.15Å; L713-A764 HydrophobicContact CD1-CB 4.2Å; I756-A764 HydrophobicContact CD1-CB 4.05Å; S760-A764 WeakPolarHBondContact O-CB 3.41Å; S760-A764 PolarHBondContact O-N 3.35Å; L761-A764 PolarHBondContact O-N 3.45Å; A764-E766 VanDerWaalsContact C-N 3.29Å; A764-L769 CarbonylContact O-C 3.55Å; A764-E770 WeakPolarHBondContact O-CA 3.48Å; A764-E770 PolarHBondContact O-N 2.61Å; A764-L773 HydrophobicContact CB-CB 4.45Å; A764-L773 HydrophobicContact CB-CD1 4.35Å; A764-L773 HydrophobicContact CB-CD2 3.85Å; A764-L773 HydrophobicContact CB-CG 4.44Å |
| 765 | L | 89.7 | Confident | 88.7 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.3 | 173.5 | -73 | 171.4 | 0 | 0 | 0 | 113.3 | L761 H763 Q795 V796 L799 | L761-L765 HydrophobicContact CD1-CD1 4.25Å; L761-L765 HydrophobicContact CD1-CG 4.05Å; L761-L765 HydrophobicContact CD2-CD1 4.44Å; L761-L765 HydrophobicContact CG-CD1 3.88Å; L761-L765 HydrophobicContact CG-CG 4.15Å; L761-L765 WeakPolarHBondContact O-CB 3.44Å; L761-L765 VanDerWaalsContact O-CG 3.25Å; L761-L765 WeakPolarHBondContact O-CG 3.37Å; L761-L765 PolarHBondContact O-N 3.06Å; H763-L765 VanDerWaalsContact C-N 3.28Å; H763-L765 PolarHBondContact O-N 3.26Å; L765-Q795 HydrophobicContact CD1-CB 4.01Å; L765-V796 HydrophobicContact CD1-CG2 4.38Å; L765-V796 HydrophobicContact CD2-CG2 4.33Å; L765-L799 HydrophobicContact CD2-CD2 4.03Å |
| 766 | E | 89.4 | Confident | 88.5 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -66.4 | 146.7 | 172.5 | -67.5 | -180 | -154.4 | 0 | 0 | 110.6 | Q706 H763 A764 Q768 L769 E770 | Q706-E766 PolarHBondContact NE2-OE2 2.96Å; H763-E766 IonicContact ND1-OE1 3.81Å; H763-E766 PolarHBondContact ND1-OE1 3.29Å; H763-E766 WeakPolarHBondContact O-CB 3.36Å; H763-E766 WeakPolarHBondContact O-CG 3.39Å; H763-E766 PolarHBondContact O-N 2.84Å; A764-E766 VanDerWaalsContact C-N 3.29Å; E766-Q768 PolarHBondContact O-N 2.95Å; E766-L769 PolarHBondContact O-N 3.33Å; E766-E770 PolarHBondContact O-N 2.84Å |
| 767 | P | 85.6 | Confident | 88.3 | Confident | 100 Ų | 100 | 40.7 Ų | 40.7 | 65% | 0.649 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -22.8 | -172.4 | -26.5 | 33.7 | 0 | 0 | 0 | 115.4 | ||
| 768 | Q | 85.9 | Confident | 88.1 | Confident | 152 Ų | 152 | 40.4 Ų | 40.4 | 71% | 0.71 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -29.9 | 178.7 | -61.4 | -178.6 | 5.1 | 0 | 0 | 113 | E766 | E766-Q768 PolarHBondContact O-N 2.95Š|
| 769 | L | 87.4 | Confident | 88 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -16.5 | -174 | -64.1 | 178.1 | 0 | 0 | 0 | 113 | Q706 Q710 A764 E766 H771 T772 L773 | Q706-L769 HydrophobicContact CG-CD1 4.04Å; Q710-L769 HydrophobicContact CB-CD1 4.24Å; Q710-L769 HydrophobicContact CB-CD2 3.83Å; Q710-L769 HydrophobicContact CG-CD2 3.61Å; A764-L769 CarbonylContact O-C 3.55Å; E766-L769 PolarHBondContact O-N 3.33Å; L769-H771 VanDerWaalsContact C-N 3.27Å; L769-H771 PolarHBondContact O-N 2.88Å; L769-T772 WeakPolarHBondContact O-CB 3.44Å; L769-T772 PolarHBondContact O-N 3.42Å; L769-L773 PolarHBondContact O-N 2.96Å |
| 770 | E | 89.4 | Confident | 88 | Confident | 38 Ų | 38 | 37.2 Ų | 37.2 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.4 | -39.1 | -173.2 | 74.7 | 179 | 157.3 | 0 | 0 | 113.4 | A764 E766 L774 L799 H803 | A764-E770 WeakPolarHBondContact O-CA 3.48Å; A764-E770 PolarHBondContact O-N 2.61Å; E766-E770 PolarHBondContact O-N 2.84Å; E770-L774 WeakPolarHBondContact O-CB 3.49Å; E770-L774 PolarHBondContact O-N 3.46Å; E770-L799 HydrophobicContact CB-CD1 3.74Å; E770-L799 HydrophobicContact CG-CD1 4.11Å; E770-L799 WeakPolarHBondContact OE2-CD1 3.28Å; E770-H803 IonicContact OE2-CE1 3.57Å |
| 771 | H | 88.3 | Confident | 87.6 | Confident | 96 Ų | 96 | 40.4 Ų | 40.4 | 44% | 0.444 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.4 | -39.2 | 176.3 | -70.2 | -66.8 | 0 | 0 | 0 | 112.7 | L769 L774 D775 H803 | L769-H771 VanDerWaalsContact C-N 3.27Å; L769-H771 PolarHBondContact O-N 2.88Å; H771-L774 PolarHBondContact O-N 3.05Å; H771-D775 VanDerWaalsContact O-CG 3.27Å; H771-D775 PolarHBondContact O-N 3.49Å; H771-H803 AromaticContact CE1-CD2 3.37Å; H771-H803 PolarHBondContact CE1-CD2 3.4Å; H771-H803 AromaticContact CE1-NE2 3.32Å; H771-H803 PolarHBondContact CE1-NE2 3.25Å; H771-H803 VanDerWaalsContact CE1-NE2 3.32Å; H771-H803 AromaticContact ND1-CD2 3.89Å; H771-H803 AromaticContact NE2-NE2 3.99Å |
| 772 | T | 87.9 | Confident | 87.4 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 20% | 0.202 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | -180 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | L713 K717 L769 L776 | L713-T772 HydrophobicContact CB-CG2 4.28Å; K717-T772 HydrophobicContact CD-CG2 4.49Å; L769-T772 WeakPolarHBondContact O-CB 3.44Å; L769-T772 PolarHBondContact O-N 3.42Å; T772-L776 WeakPolarHBondContact O-CB 3.37Å; T772-L776 PolarHBondContact O-N 2.89Å; T772-L776 VanDerWaalsContact O-N 3.16Å |
| 773 | L | 90.5 | Very high | 87.7 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 173.5 | 176.8 | 68.2 | 0 | 0 | 0 | 111.1 | L713 L754 I756 L761 A764 L769 D775 L776 A777 L799 | L713-L773 HydrophobicContact CD2-CD1 3.91Å; L754-L773 HydrophobicContact CD2-CD1 4.33Å; I756-L773 HydrophobicContact CD1-CD1 3.96Å; L761-L773 HydrophobicContact CD1-CD2 3.88Å; A764-L773 HydrophobicContact CB-CB 4.45Å; A764-L773 HydrophobicContact CB-CD1 4.35Å; A764-L773 HydrophobicContact CB-CD2 3.85Å; A764-L773 HydrophobicContact CB-CG 4.44Å; L769-L773 PolarHBondContact O-N 2.96Å; L773-D775 PolarHBondContact O-N 3.28Å; L773-L776 PolarHBondContact O-N 2.82Å; L773-A777 WeakPolarHBondContact O-CB 3.35Å; L773-A777 PolarHBondContact O-N 3.45Å; L773-L799 HydrophobicContact CD2-CD2 4.39Å |
| 774 | L | 89.7 | Confident | 87.9 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.4 | -44 | -178 | -178 | 67.1 | 0 | 0 | 0 | 112.2 | W671 E770 H771 A777 C778 L799 V800 H803 K804 | W671-L774 HydrophobicContact CH2-CD1 4.44Å; E770-L774 WeakPolarHBondContact O-CB 3.49Å; E770-L774 PolarHBondContact O-N 3.46Å; H771-L774 PolarHBondContact O-N 3.05Å; L774-A777 PolarHBondContact O-N 2.94Å; L774-C778 WeakPolarHBondContact O-CB 3.27Å; L774-C778 PolarHBondContact O-N 3.16Å; L774-C778 PolarHBondContact O-SG 3.38Å; L774-L799 HydrophobicContact CB-CD2 4.49Å; L774-V800 HydrophobicContact CD1-CG2 3.9Å; L774-H803 HydrophobicContact CD2-CB 3.29Å; L774-K804 HydrophobicContact CD1-CG 4.39Å; L774-K804 HydrophobicContact CD2-CG 4.36Å |
| 775 | D | 87.2 | Confident | 88 | Confident | 65 Ų | 65 | 36.2 Ų | 36.2 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.3 | -50.5 | 177.1 | -72.3 | -12.4 | 0 | 0 | 0 | 111 | K717 H771 L773 A777 C778 L779 | K717-D775 IonicContact NZ-OD2 2.83Å; K717-D775 PolarHBondContact NZ-OD2 3.43Å; H771-D775 VanDerWaalsContact O-CG 3.27Å; H771-D775 PolarHBondContact O-N 3.49Å; L773-D775 PolarHBondContact O-N 3.28Å; D775-A777 PolarHBondContact O-N 3.32Å; D775-C778 PolarHBondContact O-N 3.36Å; D775-L779 WeakPolarHBondContact O-CG 3.33Å; D775-L779 PolarHBondContact O-N 3.41Å |
| 776 | L | 88.1 | Confident | 88 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -48.7 | 178.5 | 179.9 | 66.5 | 0 | 0 | 0 | 111.1 | I701 L713 A716 K717 I720 L754 T772 L773 C778 L779 C780 | I701-L776 HydrophobicContact CD1-CD2 4.23Å; L713-L776 HydrophobicContact CD2-CD2 3.64Å; A716-L776 HydrophobicContact CB-CD1 4.03Å; A716-L776 HydrophobicContact CB-CD2 3.91Å; K717-L776 HydrophobicContact CB-CD1 4.33Å; I720-L776 HydrophobicContact CD1-CD1 3.53Å; L754-L776 HydrophobicContact CD1-CD2 3.99Å; L754-L776 HydrophobicContact CD2-CD2 4.29Å; L754-L776 HydrophobicContact CD2-CG 4.4Å; T772-L776 WeakPolarHBondContact O-CB 3.37Å; T772-L776 PolarHBondContact O-N 2.89Å; T772-L776 VanDerWaalsContact O-N 3.16Å; L773-L776 PolarHBondContact O-N 2.82Å; L776-C778 PolarHBondContact O-N 3.48Å; L776-L779 PolarHBondContact O-N 3.22Å; L776-L779 VanDerWaalsContact O-N 3.13Å; L776-C780 PolarHBondContact O-N 3.25Å; L776-C780 VanDerWaalsContact O-N 3.15Å; L776-C780 PolarHBondContact O-SG 3.06Å; L776-C780 VanDerWaalsContact O-SG 3.37Å |
| 777 | A | 88.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.7 | -29.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W671 L754 L773 L774 D775 V783 | W671-A777 HydrophobicContact CH2-CB 3.52Å; W671-A777 HydrophobicContact CZ2-CB 3.67Å; W671-A777 HydrophobicContact CZ3-CB 4.33Å; L754-A777 HydrophobicContact CD2-CB 4.06Å; L773-A777 WeakPolarHBondContact O-CB 3.35Å; L773-A777 PolarHBondContact O-N 3.45Å; L774-A777 PolarHBondContact O-N 2.94Å; D775-A777 PolarHBondContact O-N 3.32Å; A777-V783 HydrophobicContact CB-CG2 4.05Å |
| 778 | C | 84.5 | Confident | 87.7 | Confident | 16 Ų | 16 | 33.9 Ų | 33.9 | 11% | 0.108 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -79.3 | -26 | 176.9 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | K669 L774 D775 L776 K804 | K669-C778 PolarHBondContact NZ-O 3.02Å; L774-C778 WeakPolarHBondContact O-CB 3.27Å; L774-C778 PolarHBondContact O-N 3.16Å; L774-C778 PolarHBondContact O-SG 3.38Å; D775-C778 PolarHBondContact O-N 3.36Å; L776-C778 PolarHBondContact O-N 3.48Å; C778-K804 WeakPolarHBondContact SG-CE 3.38Å |
| 779 | L | 84 | Confident | 87.5 | Confident | 71 Ų | 71 | 30 Ų | 30 | 37% | 0.372 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -74.2 | -30.7 | 172 | -66.9 | 169.6 | 0 | 0 | 0 | 111.4 | I720 D775 L776 | I720-L779 HydrophobicContact CD1-CB 4.48Å; I720-L779 HydrophobicContact CG2-CD1 4.16Å; D775-L779 WeakPolarHBondContact O-CG 3.33Å; D775-L779 PolarHBondContact O-N 3.41Å; L776-L779 PolarHBondContact O-N 3.22Å; L776-L779 VanDerWaalsContact O-N 3.13Å |
| 780 | C | 85 | Confident | 87.2 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -73.1 | 144.3 | 174.5 | -61.3 | 0 | 0 | 0 | 0 | 112 | Y752 L754 L776 V783 | Y752-C780 WeakPolarHBondContact O-CA 3.39Å; L754-C780 HydrophobicContact CB-CB 4.22Å; L776-C780 PolarHBondContact O-N 3.25Å; L776-C780 VanDerWaalsContact O-N 3.15Å; L776-C780 PolarHBondContact O-SG 3.06Å; L776-C780 VanDerWaalsContact O-SG 3.37Å; C780-V783 HydrophobicContact CB-CG2 4.36Å |
| 781 | K | 82.6 | Confident | 86.9 | Confident | 67 Ų | 67 | 34.4 Ų | 34.4 | 29% | 0.291 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -75 | -39.9 | 175.6 | -171.3 | 174.8 | -172.3 | 174.5 | 0 | 111.5 | E751 Y752 | E751-K781 IonicContact OE1-NZ 3.85Å; E751-K781 PolarHBondContact OE1-NZ 3.4Å; Y752-K781 PolarHBondContact O-N 2.79Å |
| 782 | T | 86.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.8 | -177.8 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | M690 L691 A753 L754 I784 | M690-T782 HydrophobicContact CB-CG2 4.03Å; M690-T782 HydrophobicContact CE-CG2 3.64Å; M690-T782 PolarHBondContact O-OG1 2.91Å; L691-T782 HydrophobicContact CD2-CG2 4.29Å; A753-T782 WeakPolarHBondContact CA-O 3.45Å; L754-T782 PolarHBondContact N-O 3.2Å; T782-I784 HydrophobicContact CG2-CD1 4.48Å; T782-I784 HydrophobicContact CG2-CG1 4.12Å |
| 783 | V | 92.7 | Very high | 86.9 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.024 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.9 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | W671 V672 L754 A777 C780 | W671-V783 CarbonylContact C-O 3.51Å; W671-V783 VanDerWaalsContact CA-O 3.31Å; W671-V783 WeakPolarHBondContact CA-O 3.4Å; W671-V783 HydrophobicContact CB-CB 4.35Å; W671-V783 HydrophobicContact CD2-CB 3.83Å; W671-V783 HydrophobicContact CD2-CG1 4.25Å; W671-V783 HydrophobicContact CD2-CG2 4.02Å; W671-V783 HydrophobicContact CE3-CB 4.38Å; W671-V783 HydrophobicContact CE3-CG1 4.3Å; W671-V783 HydrophobicContact CG-CB 3.76Å; W671-V783 HydrophobicContact CG-CG2 4.23Å; W671-V783 HydrophobicContact CZ2-CG2 4.1Å; V672-V783 PolarHBondContact N-O 2.87Å; L754-V783 HydrophobicContact CB-CG1 4.4Å; L754-V783 HydrophobicContact CB-CG2 4.31Å; L754-V783 HydrophobicContact CD2-CG1 4.24Å; L754-V783 HydrophobicContact CG-CG1 4.46Å; L754-V783 CarbonylContact O-C 3.59Å; L754-V783 WeakPolarHBondContact O-CA 3.43Å; A777-V783 HydrophobicContact CB-CG2 4.05Å; C780-V783 HydrophobicContact CB-CG2 4.36Å |
| 784 | I | 93.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119.7 | 177.1 | -54.9 | -179 | 0 | 0 | 0 | 108.4 | V672 A681 L691 L754 V755 I756 T782 | V672-I784 HydrophobicContact CB-CG1 4.41Å; V672-I784 HydrophobicContact CB-CG2 4.43Å; V672-I784 CarbonylContact O-C 3.53Å; V672-I784 WeakPolarHBondContact O-CA 3.08Å; A681-I784 HydrophobicContact CB-CG2 3.82Å; L691-I784 HydrophobicContact CD1-CD1 3.9Å; L691-I784 HydrophobicContact CD2-CD1 4.33Å; L691-I784 HydrophobicContact CG-CD1 4.1Å; L754-I784 PolarHBondContact O-N 3.33Å; V755-I784 CarbonylContact C-O 3.44Å; V755-I784 VanDerWaalsContact CA-O 3.27Å; V755-I784 WeakPolarHBondContact CA-O 3.45Å; V755-I784 HydrophobicContact CG2-CB 4.37Å; I756-I784 PolarHBondContact N-O 3.33Å; T782-I784 HydrophobicContact CG2-CD1 4.48Å; T782-I784 HydrophobicContact CG2-CG1 4.12Å |
| 785 | C | 92.9 | Very high | 86.9 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.02 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.9 | 173.5 | -57.5 | 0 | 0 | 0 | 0 | 108.8 | V672 L673 T674 I756 L761 V788 | V672-C785 PolarHBondContact O-N 2.9Å; L673-C785 HydrophobicContact CD2-CB 3.58Å; L673-C785 WeakPolarHBondContact CD2-SG 3.47Å; T674-C785 WeakPolarHBondContact CG2-O 3.34Å; T674-C785 PolarHBondContact N-O 3.26Å; I756-C785 HydrophobicContact CG2-CB 4.07Å; I756-C785 WeakPolarHBondContact CG2-SG 3.23Å; I756-C785 WeakPolarHBondContact O-CA 3.36Å; L761-C785 HydrophobicContact CD2-CB 4.32Å; C785-V788 VanDerWaalsContact C-CG2 3.44Å; C785-V788 HydrophobicContact CB-CG2 3.44Å; C785-V788 VanDerWaalsContact CB-CG2 3.44Å; C785-V788 WeakPolarHBondContact O-CG2 3.27Å |
| 786 | C | 89.6 | Confident | 87.2 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 151.5 | -174.1 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | T674 L678 A681 I756 S757 G758 V788 | T674-C786 CarbonylContact O-C 3.57Å; L678-C786 HydrophobicContact CB-CB 4.29Å; A681-C786 VanDerWaalsContact CB-SG 3.54Å; I756-C786 PolarHBondContact O-N 3.36Å; S757-C786 CarbonylContact C-O 3.59Å; G758-C786 WeakPolarHBondContact CA-O 3.38Å; G758-C786 PolarHBondContact N-O 2.7Å; C786-V788 VanDerWaalsContact C-N 3.25Å; C786-V788 PolarHBondContact O-N 3.27Å |
| 787 | R | 83.8 | Confident | 87.4 | Confident | 133 Ų | 133 | 30.3 Ų | 30.3 | 50% | 0.502 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 51.2 | 41.6 | -177 | -62.1 | -168.4 | 178.3 | 175.4 | 3.7 | 113.9 | T674 G675 D676 | T674-R787 PolarHBondContact O-N 2.96Å; G675-R787 WeakPolarHBondContact O-CA 3.26Å; D676-R787 WeakPolarHBondContact O-CG 3.24Å; D676-R787 PolarHBondContact O-N 3.26Å |
| 788 | V | 84.3 | Confident | 87.5 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | trans | -89.2 | 131.5 | -176.4 | -162.9 | 0 | 0 | 0 | 0 | 110.2 | T674 L761 C785 C786 Q792 K793 | T674-V788 WeakPolarHBondContact O-CG2 3.21Å; T674-V788 PolarHBondContact O-N 3.16Å; L761-V788 HydrophobicContact CD2-CG1 3.94Å; L761-V788 HydrophobicContact CD2-CG2 4.3Å; C785-V788 VanDerWaalsContact C-CG2 3.44Å; C785-V788 HydrophobicContact CB-CG2 3.44Å; C785-V788 VanDerWaalsContact CB-CG2 3.44Å; C785-V788 WeakPolarHBondContact O-CG2 3.27Å; C786-V788 VanDerWaalsContact C-N 3.25Å; C786-V788 PolarHBondContact O-N 3.27Å; V788-Q792 HydrophobicContact CG1-CB 3.38Å; V788-K793 HydrophobicContact CB-CG 4.24Å; V788-K793 HydrophobicContact CG1-CG 3.89Å | ||
| 789 | T | 82.3 | Confident | 87.9 | Confident | 70 Ų | 70 | 35 Ų | 35 | 43% | 0.429 | 17% | 0.171 | S | C | . | . | trans | -75.3 | 156.1 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | M791 Q792 K793 | T789-M791 PolarHBondContact O-N 2.96Å; T789-M791 VanDerWaalsContact O-N 3.11Å; T789-Q792 PolarHBondContact O-N 3.48Å; T789-Q792 WeakPolarHBondContact OG1-CB 3.28Å; T789-Q792 VanDerWaalsContact OG1-CG 3.23Å; T789-Q792 WeakPolarHBondContact OG1-CG 3.17Å; T789-Q792 PolarHBondContact OG1-N 2.55Å; T789-Q792 PolarHBondContact OG1-OE1 2.94Å; T789-K793 PolarHBondContact O-N 3.12Å | ||
| 790 | P | 81.6 | Confident | 88.3 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 25% | 0.247 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -52.1 | -35.1 | 176.1 | -31.5 | 37.9 | 0 | 0 | 0 | 114.4 | A794 N816 S819 | P790-A794 PolarHBondContact O-N 3.3Å; P790-N816 WeakPolarHBondContact CB-O 3.23Å; P790-N816 HydrophobicContact CG-CB 4.05Å; P790-S819 PolarHBondContact O-OG 2.94Å |
| 791 | M | 81.6 | Confident | 88.5 | Confident | 95 Ų | 95 | 34.8 Ų | 34.8 | 47% | 0.468 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.4 | -44.7 | 176.8 | -172.7 | 62.4 | 68.9 | 0 | 0 | 111.5 | T789 K793 A794 Q795 | T789-M791 PolarHBondContact O-N 2.96Å; T789-M791 VanDerWaalsContact O-N 3.11Å; M791-K793 VanDerWaalsContact C-N 3.31Å; M791-K793 PolarHBondContact O-N 3.09Å; M791-A794 WeakPolarHBondContact O-CB 3.3Å; M791-A794 PolarHBondContact O-N 3.11Å; M791-Q795 WeakPolarHBondContact O-CG 3.27Å; M791-Q795 PolarHBondContact O-N 3Å |
| 792 | Q | 86.9 | Confident | 88.7 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 177.1 | -73.6 | 169.3 | -36.7 | 0 | 0 | 111.8 | G758 V788 T789 A794 Q795 V796 | G758-Q792 PolarHBondContact O-NE2 3.17Å; V788-Q792 HydrophobicContact CG1-CB 3.38Å; T789-Q792 PolarHBondContact O-N 3.48Å; T789-Q792 WeakPolarHBondContact OG1-CB 3.28Å; T789-Q792 VanDerWaalsContact OG1-CG 3.23Å; T789-Q792 WeakPolarHBondContact OG1-CG 3.17Å; T789-Q792 PolarHBondContact OG1-N 2.55Å; T789-Q792 PolarHBondContact OG1-OE1 2.94Å; Q792-A794 VanDerWaalsContact C-N 3.3Å; Q792-A794 PolarHBondContact O-N 3.25Å; Q792-Q795 PolarHBondContact O-N 2.73Å; Q792-Q795 VanDerWaalsContact O-N 3.16Å; Q792-V796 WeakPolarHBondContact O-CG2 3.4Å; Q792-V796 PolarHBondContact O-N 3.44Å |
| 793 | K | 89.9 | Confident | 88.8 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.2 | -47.8 | 172.7 | -66.4 | -171.1 | -178.3 | -172.4 | 0 | 111 | D392 L673 V788 T789 M791 V796 V797 D817 M820 | D392-K793 IonicContact OD1-NZ 3.16Å; D392-K793 PolarHBondContact OD1-NZ 3.32Å; L673-K793 HydrophobicContact CB-CD 4.37Å; L673-K793 HydrophobicContact CB-CG 4.09Å; L673-K793 HydrophobicContact CD1-CB 4.31Å; L673-K793 WeakPolarHBondContact O-CE 3.25Å; L673-K793 PolarHBondContact O-NZ 3.3Å; V788-K793 HydrophobicContact CB-CG 4.24Å; V788-K793 HydrophobicContact CG1-CG 3.89Å; T789-K793 PolarHBondContact O-N 3.12Å; M791-K793 VanDerWaalsContact C-N 3.31Å; M791-K793 PolarHBondContact O-N 3.09Å; K793-V796 PolarHBondContact O-N 3.35Å; K793-V797 WeakPolarHBondContact O-CG2 3.41Å; K793-V797 PolarHBondContact O-N 2.88Å; K793-D817 IonicContact NZ-OD1 3.11Å; K793-D817 PolarHBondContact NZ-OD1 3.43Å; K793-M820 HydrophobicContact CB-CB 4.11Å; K793-M820 HydrophobicContact CB-CG 4.29Å; K793-M820 HydrophobicContact CB-SD 4.27Å; K793-M820 HydrophobicContact CD-SD 4.36Å |
| 794 | A | 89.4 | Confident | 88.3 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 7% | 0.066 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | P790 M791 Q792 V797 E798 | P790-A794 PolarHBondContact O-N 3.3Å; M791-A794 WeakPolarHBondContact O-CB 3.3Å; M791-A794 PolarHBondContact O-N 3.11Å; Q792-A794 VanDerWaalsContact C-N 3.3Å; Q792-A794 PolarHBondContact O-N 3.25Å; A794-V797 PolarHBondContact O-N 3.09Å; A794-E798 WeakPolarHBondContact O-CB 3.49Å; A794-E798 PolarHBondContact O-N 2.85Å |
| 795 | Q | 90.9 | Very high | 87.6 | Confident | 87 Ų | 87 | 55.2 Ų | 55.2 | 41% | 0.407 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.7 | -71.4 | 175.2 | -45.1 | 0 | 0 | 112.6 | L765 M791 Q792 E798 L799 | L765-Q795 HydrophobicContact CD1-CB 4.01Å; M791-Q795 WeakPolarHBondContact O-CG 3.27Å; M791-Q795 PolarHBondContact O-N 3Å; Q792-Q795 PolarHBondContact O-N 2.73Å; Q792-Q795 VanDerWaalsContact O-N 3.16Å; Q795-E798 PolarHBondContact O-N 2.95Å; Q795-L799 WeakPolarHBondContact O-CB 3.23Å; Q795-L799 PolarHBondContact O-N 3.44Å |
| 796 | V | 92.9 | Very high | 87.2 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | F390 W671 L673 L761 L765 Q792 K793 E798 L799 V800 | F390-V796 HydrophobicContact CD1-CG1 4.49Å; F390-V796 HydrophobicContact CE1-CG1 4.05Å; W671-V796 HydrophobicContact CE3-CG1 3.99Å; W671-V796 HydrophobicContact CZ3-CG1 3.95Å; L673-V796 HydrophobicContact CD1-CB 4.24Å; L673-V796 HydrophobicContact CD1-CG1 4.21Å; L673-V796 HydrophobicContact CD2-CG1 4.12Å; L761-V796 HydrophobicContact CD1-CG2 4.16Å; L761-V796 HydrophobicContact CD2-CG2 3.88Å; L761-V796 HydrophobicContact CG-CG2 4.45Å; L765-V796 HydrophobicContact CD1-CG2 4.38Å; L765-V796 HydrophobicContact CD2-CG2 4.33Å; Q792-V796 WeakPolarHBondContact O-CG2 3.4Å; Q792-V796 PolarHBondContact O-N 3.44Å; K793-V796 PolarHBondContact O-N 3.35Å; V796-E798 VanDerWaalsContact C-N 3.34Å; V796-E798 PolarHBondContact O-N 3.19Å; V796-L799 WeakPolarHBondContact O-CB 3.37Å; V796-L799 PolarHBondContact O-N 2.66Å; V796-V800 PolarHBondContact O-N 2.97Å |
| 797 | V | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 176 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | F390 K793 A794 K801 M820 T823 A824 | F390-V797 HydrophobicContact CB-CG2 4.13Å; F390-V797 HydrophobicContact CD1-CG2 4.06Å; F390-V797 HydrophobicContact CD2-CB 4.49Å; F390-V797 HydrophobicContact CD2-CG1 4.34Å; F390-V797 HydrophobicContact CD2-CG2 3.7Å; F390-V797 HydrophobicContact CE1-CG2 4.4Å; F390-V797 HydrophobicContact CE2-CB 4.47Å; F390-V797 HydrophobicContact CE2-CG1 4.27Å; F390-V797 HydrophobicContact CE2-CG2 4.1Å; F390-V797 HydrophobicContact CG-CG2 3.68Å; F390-V797 HydrophobicContact CZ-CG2 4.43Å; K793-V797 WeakPolarHBondContact O-CG2 3.41Å; K793-V797 PolarHBondContact O-N 2.88Å; A794-V797 PolarHBondContact O-N 3.09Å; V797-K801 WeakPolarHBondContact O-CB 3.49Å; V797-K801 PolarHBondContact O-N 3.2Å; V797-M820 HydrophobicContact CG2-CG 3.66Å; V797-T823 HydrophobicContact CB-CG2 4.44Å; V797-T823 HydrophobicContact CG1-CG2 4.3Å; V797-A824 HydrophobicContact CG1-CB 3.91Å |
| 798 | E | 90.8 | Very high | 87.8 | Confident | 105 Ų | 105 | 49.5 Ų | 49.5 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65 | -38.2 | 177.9 | -171.8 | 160.4 | -157.5 | 0 | 0 | 112.1 | A794 Q795 V796 K801 R802 T823 | A794-E798 WeakPolarHBondContact O-CB 3.49Å; A794-E798 PolarHBondContact O-N 2.85Å; Q795-E798 PolarHBondContact O-N 2.95Å; V796-E798 VanDerWaalsContact C-N 3.34Å; V796-E798 PolarHBondContact O-N 3.19Å; E798-K801 PolarHBondContact O-N 3.05Å; E798-R802 VanDerWaalsContact O-CB 3.27Å; E798-R802 WeakPolarHBondContact O-CB 3.29Å; E798-R802 PolarHBondContact O-N 3.06Å; E798-T823 HydrophobicContact CB-CG2 3.96Å |
| 799 | L | 91.9 | Very high | 88.4 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -53.1 | 175.9 | 178.6 | 69.8 | 0 | 0 | 0 | 111.5 | L765 E770 L773 L774 Q795 V796 R802 H803 | L765-L799 HydrophobicContact CD2-CD2 4.03Å; E770-L799 HydrophobicContact CB-CD1 3.74Å; E770-L799 HydrophobicContact CG-CD1 4.11Å; E770-L799 WeakPolarHBondContact OE2-CD1 3.28Å; L773-L799 HydrophobicContact CD2-CD2 4.39Å; L774-L799 HydrophobicContact CB-CD2 4.49Å; Q795-L799 WeakPolarHBondContact O-CB 3.23Å; Q795-L799 PolarHBondContact O-N 3.44Å; V796-L799 WeakPolarHBondContact O-CB 3.37Å; V796-L799 PolarHBondContact O-N 2.66Å; L799-R802 PolarHBondContact O-N 3.24Å; L799-H803 WeakPolarHBondContact CD1-ND1 3.41Å; L799-H803 PolarHBondContact O-N 2.96Å; L799-H803 PolarHBondContact O-ND1 3.2Å |
| 800 | V | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | -179.5 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | F388 F390 W671 L774 V796 R802 H803 K804 T808 | F388-V800 HydrophobicContact CD1-CG1 4.19Å; F388-V800 HydrophobicContact CD2-CG1 3.94Å; F388-V800 HydrophobicContact CE1-CG1 4.39Å; F388-V800 HydrophobicContact CE2-CG1 4.17Å; F388-V800 HydrophobicContact CG-CG1 3.96Å; F388-V800 HydrophobicContact CZ-CG1 4.38Å; F390-V800 HydrophobicContact CE1-CG2 4.24Å; F390-V800 HydrophobicContact CZ-CB 3.87Å; F390-V800 HydrophobicContact CZ-CG1 4.13Å; F390-V800 HydrophobicContact CZ-CG2 3.81Å; W671-V800 HydrophobicContact CE3-CG2 4.44Å; W671-V800 HydrophobicContact CH2-CG2 3.61Å; W671-V800 HydrophobicContact CZ2-CG2 4.5Å; W671-V800 HydrophobicContact CZ3-CG2 3.58Å; L774-V800 HydrophobicContact CD1-CG2 3.9Å; V796-V800 PolarHBondContact O-N 2.97Å; V800-R802 VanDerWaalsContact C-N 3.33Å; V800-R802 PolarHBondContact O-N 2.98Å; V800-H803 PolarHBondContact O-N 2.68Å; V800-K804 HydrophobicContact CG1-CB 4.46Å; V800-K804 PolarHBondContact O-N 3.22Å; V800-T808 HydrophobicContact CG1-CG2 4.08Å |
| 801 | K | 90.1 | Very high | 89.7 | Confident | 67 Ų | 67 | 44 Ų | 44 | 29% | 0.291 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.4 | -40 | 178.9 | 170.8 | 162.5 | 177.8 | 172.2 | 0 | 113 | V797 E798 T808 T823 H825 | V797-K801 WeakPolarHBondContact O-CB 3.49Å; V797-K801 PolarHBondContact O-N 3.2Å; E798-K801 PolarHBondContact O-N 3.05Å; K801-T808 HydrophobicContact CB-CG2 4.41Å; K801-T823 PolarHBondContact NZ-O 3.24Å; K801-H825 WeakPolarHBondContact CE-NE2 3.4Å; K801-H825 VanDerWaalsContact CG-CE1 3.48Å; K801-H825 WeakPolarHBondContact CG-CE1 3.41Å |
| 802 | R | 87.8 | Confident | 90.1 | Very high | 186 Ų | 186 | 39.5 Ų | 39.5 | 70% | 0.702 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -75.3 | -38.1 | -177.6 | -173.3 | 176.2 | -179.3 | -179.8 | -3.3 | 112.6 | E798 L799 V800 | E798-R802 VanDerWaalsContact O-CB 3.27Å; E798-R802 WeakPolarHBondContact O-CB 3.29Å; E798-R802 PolarHBondContact O-N 3.06Å; L799-R802 PolarHBondContact O-N 3.24Å; V800-R802 VanDerWaalsContact C-N 3.33Å; V800-R802 PolarHBondContact O-N 2.98Å |
| 803 | H | 86.6 | Confident | 90.1 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -100.1 | -34.9 | -168.2 | -67.3 | 103.8 | 0 | 0 | 0 | 114.6 | E770 H771 L774 L799 V800 | E770-H803 IonicContact OE2-CE1 3.57Å; H771-H803 AromaticContact CE1-CD2 3.37Å; H771-H803 PolarHBondContact CE1-CD2 3.4Å; H771-H803 AromaticContact CE1-NE2 3.32Å; H771-H803 PolarHBondContact CE1-NE2 3.25Å; H771-H803 VanDerWaalsContact CE1-NE2 3.32Å; H771-H803 AromaticContact ND1-CD2 3.89Å; H771-H803 AromaticContact NE2-NE2 3.99Å; L774-H803 HydrophobicContact CD2-CB 3.29Å; L799-H803 WeakPolarHBondContact CD1-ND1 3.41Å; L799-H803 PolarHBondContact O-N 2.96Å; L799-H803 PolarHBondContact O-ND1 3.2Å; V800-H803 PolarHBondContact O-N 2.68Å |
| 804 | K | 82.7 | Confident | 89.6 | Confident | 94 Ų | 94 | 38.3 Ų | 38.3 | 41% | 0.409 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -89.5 | -12.3 | 179.4 | -73.1 | -62.6 | -169.6 | 179.7 | 0 | 113.9 | L774 C778 V800 A806 | L774-K804 HydrophobicContact CD1-CG 4.39Å; L774-K804 HydrophobicContact CD2-CG 4.36Å; C778-K804 WeakPolarHBondContact SG-CE 3.38Å; V800-K804 HydrophobicContact CG1-CB 4.46Å; V800-K804 PolarHBondContact O-N 3.22Å; K804-A806 HydrophobicContact CB-CB 4.16Å; K804-A806 PolarHBondContact O-N 3.27Å |
| 805 | M | 78.6 | Confident | 88.8 | Confident | 164 Ų | 164 | 38.8 Ų | 38.8 | 81% | 0.808 | 18% | 0.178 | S | C | * | . | trans | 53.3 | 21.2 | -174.6 | -65.7 | -71.6 | -74.6 | 0 | 0 | 113.6 | ||||
| 806 | A | 85.1 | Confident | 88.2 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | trans | -88.8 | 153.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E387 F388 K804 T808 H825 | E387-A806 HydrophobicContact CB-CB 4.17Å; E387-A806 WeakPolarHBondContact OE2-CB 3.36Å; F388-A806 HydrophobicContact CD2-CB 3.79Å; F388-A806 HydrophobicContact CE2-CB 3.8Å; K804-A806 HydrophobicContact CB-CB 4.16Å; K804-A806 PolarHBondContact O-N 3.27Å; A806-T808 PolarHBondContact O-N 3.01Å; A806-H825 PolarHBondContact O-CE1 2.94Å | ||
| 807 | V | 91.7 | Very high | 87.7 | Confident | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.097 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.5 | 174 | -176.3 | 0 | 0 | 0 | 0 | 109 | E382 Q385 V386 E387 F388 H825 I826 | E382-V807 HydrophobicContact CB-CG1 4.39Å; Q385-V807 HydrophobicContact CB-CB 4.43Å; Q385-V807 HydrophobicContact CB-CG2 3.9Å; Q385-V807 WeakPolarHBondContact O-CB 3.24Å; V386-V807 HydrophobicContact CG2-CG1 4.23Å; E387-V807 PolarHBondContact N-O 2.79Å; E387-V807 VanDerWaalsContact N-O 3.09Å; F388-V807 PolarHBondContact N-O 3.44Å; V807-H825 HydrophobicContact CG1-CB 4.03Å; V807-I826 HydrophobicContact CG1-CD1 4.38Å |
| 808 | T | 94.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.4 | -173.8 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | F388 F390 V800 K801 A806 H825 I826 | F388-T808 HydrophobicContact CB-CG2 4.33Å; F390-T808 HydrophobicContact CE2-CG2 3.76Å; F390-T808 HydrophobicContact CZ-CG2 4.44Å; V800-T808 HydrophobicContact CG1-CG2 4.08Å; K801-T808 HydrophobicContact CB-CG2 4.41Å; A806-T808 PolarHBondContact O-N 3.01Å; T808-H825 PolarHBondContact N-ND1 3.32Å; T808-H825 WeakPolarHBondContact O-CB 3.33Å; T808-H825 PolarHBondContact O-N 3.1Å; T808-H825 PolarHBondContact OG1-N 3.21Å; T808-H825 PolarHBondContact OG1-ND1 3.37Å; T808-I826 PolarHBondContact O-N 3.17Å |
| 809 | L | 96.3 | Very high | 87 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.9 | 176.1 | -175 | 152.3 | 0 | 0 | 0 | 109.5 | L383 V386 F388 I389 F390 V811 I826 V828 L852 L856 | L383-L809 HydrophobicContact CD2-CD1 4.28Å; V386-L809 HydrophobicContact CG1-CB 3.64Å; V386-L809 HydrophobicContact CG1-CD1 4.43Å; V386-L809 HydrophobicContact CG2-CB 4.22Å; V386-L809 HydrophobicContact CG2-CD1 4.1Å; F388-L809 PolarHBondContact O-N 3.25Å; I389-L809 CarbonylContact C-O 3.49Å; I389-L809 WeakPolarHBondContact CA-O 3.19Å; I389-L809 HydrophobicContact CG1-CB 4.33Å; I389-L809 HydrophobicContact CG1-CD2 4.25Å; I389-L809 HydrophobicContact CG2-CD2 4.13Å; F390-L809 WeakPolarHBondContact CD2-O 3.32Å; F390-L809 PolarHBondContact N-O 2.97Å; L809-V811 HydrophobicContact CD2-CG2 3.32Å; L809-I826 CarbonylContact C-O 3.51Å; L809-I826 WeakPolarHBondContact CA-O 3.28Å; L809-I826 HydrophobicContact CB-CB 4.35Å; L809-I826 HydrophobicContact CD1-CB 4.27Å; L809-I826 HydrophobicContact CD1-CG2 3.99Å; L809-I826 HydrophobicContact CG-CB 4.16Å; L809-I826 HydrophobicContact CG-CG2 4.17Å; L809-V828 HydrophobicContact CD1-CG2 4.09Å; L809-V828 HydrophobicContact CD2-CG2 3.99Å; L809-V828 HydrophobicContact CG-CG2 4.14Å; L809-L852 HydrophobicContact CD1-CD1 4.34Å; L809-L852 HydrophobicContact CD2-CD1 4.25Å; L809-L856 HydrophobicContact CD1-CD1 4.37Å; L809-L856 HydrophobicContact CD1-CD2 3.78Å |
| 810 | A | 95.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F390 M820 I821 A824 I826 V828 | F390-A810 HydrophobicContact CB-CB 4.49Å; F390-A810 CarbonylContact O-C 3.4Å; F390-A810 VanDerWaalsContact O-CA 3.29Å; F390-A810 WeakPolarHBondContact O-CA 3.36Å; A810-M820 HydrophobicContact CB-CE 4.21Å; A810-M820 HydrophobicContact CB-CG 3.82Å; A810-M820 HydrophobicContact CB-SD 4.35Å; A810-I821 HydrophobicContact CB-CG1 4.42Å; A810-A824 HydrophobicContact CB-CB 3.58Å; A810-I826 PolarHBondContact N-O 2.98Å; A810-V828 PolarHBondContact O-N 3.35Å |
| 811 | V | 95.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.5 | 177.9 | -167.5 | 0 | 0 | 0 | 0 | 109.6 | I389 F390 D392 T396 L809 M820 V828 I830 F849 L852 | I389-V811 HydrophobicContact CG2-CG2 4.2Å; F390-V811 PolarHBondContact O-N 3.26Å; D392-V811 PolarHBondContact N-O 3.37Å; D392-V811 VanDerWaalsContact N-O 3.07Å; T396-V811 HydrophobicContact CG2-CB 4.35Å; T396-V811 HydrophobicContact CG2-CG1 3.85Å; L809-V811 HydrophobicContact CD2-CG2 3.32Å; V811-M820 WeakPolarHBondContact O-CE 3.33Å; V811-V828 WeakPolarHBondContact CA-O 3.49Å; V811-V828 HydrophobicContact CG1-CB 4.34Å; V811-V828 HydrophobicContact CG1-CG1 4.22Å; V811-V828 HydrophobicContact CG2-CB 4.15Å; V811-I830 HydrophobicContact CG1-CD1 3.68Å; V811-I830 HydrophobicContact CG1-CG1 3.93Å; V811-F849 HydrophobicContact CG1-CD2 4.31Å; V811-F849 HydrophobicContact CG1-CE2 4.49Å; V811-L852 HydrophobicContact CG2-CD1 4.43Å; V811-L852 HydrophobicContact CG2-CD2 3.92Å |
| 812 | G | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 165.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | T396 D817 V828 G829 I830 | T396-G812 WeakPolarHBondContact OG1-CA 3.33Å; G812-D817 WeakPolarHBondContact CA-OD2 3.27Å; G812-V828 PolarHBondContact N-O 3.47Å; G812-G829 CarbonylContact O-C 3.54Å; G812-G829 VanDerWaalsContact O-CA 3.32Å; G812-G829 WeakPolarHBondContact O-CA 3.05Å; G812-I830 PolarHBondContact O-N 3.27Å |
| 813 | D | 86.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -117.8 | -30.7 | 176.7 | 73.4 | -41 | 0 | 0 | 0 | 112.4 | G395 T396 I830 E834 A838 | G395-D813 WeakPolarHBondContact CA-OD2 3.15Å; T396-D813 PolarHBondContact OG1-N 2.84Å; D813-I830 WeakPolarHBondContact CA-O 3.39Å; D813-I830 HydrophobicContact CB-CB 3.97Å; D813-I830 HydrophobicContact CB-CG2 4.27Å; D813-I830 WeakPolarHBondContact CB-O 3.37Å; D813-E834 WeakPolarHBondContact OD2-CG 3.42Å; D813-A838 WeakPolarHBondContact O-CB 3.41Å |
| 814 | G | 78.3 | Confident | 87 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -89.2 | 167.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N816 D817 | G814-N816 PolarHBondContact O-N 2.89Å; G814-D817 PolarHBondContact O-N 2.87Å |
| 815 | A | 72.5 | Confident | 87.5 | Confident | 17 Ų | 17 | 17.3 Ų | 17.3 | 14% | 0.14 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -65.8 | -25.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E167 D817 V818 Q837 | E167-A815 WeakPolarHBondContact O-CB 3.28Å; A815-D817 PolarHBondContact O-N 3.17Å; A815-V818 WeakPolarHBondContact O-CB 3.4Å; A815-V818 WeakPolarHBondContact O-CG2 3.3Å; A815-V818 PolarHBondContact O-N 2.9Å; A815-Q837 HydrophobicContact CB-CB 4.2Å |
| 816 | N | 78.2 | Confident | 88.3 | Confident | 36 Ų | 36 | 9.5 Ų | 9.5 | 19% | 0.193 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -58.5 | -25.1 | 173.9 | -73.9 | -26.4 | 0 | 0 | 0 | 113.6 | L168 D169 P790 G814 | L168-N816 PolarHBondContact O-OD1 2.66Å; D169-N816 WeakPolarHBondContact CA-OD1 3.29Å; D169-N816 PolarHBondContact O-ND2 2.75Å; P790-N816 WeakPolarHBondContact CB-O 3.23Å; P790-N816 HydrophobicContact CG-CB 4.05Å; G814-N816 PolarHBondContact O-N 2.89Å |
| 817 | D | 84.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | -96.1 | -8.4 | -174.1 | -57.9 | -39.6 | 0 | 0 | 0 | 112.3 | D392 K793 G812 G814 A815 S819 M820 I821 | D392-D817 WeakPolarHBondContact CB-OD2 3.47Å; K793-D817 IonicContact NZ-OD1 3.11Å; K793-D817 PolarHBondContact NZ-OD1 3.43Å; G812-D817 WeakPolarHBondContact CA-OD2 3.27Å; G814-D817 PolarHBondContact O-N 2.87Å; A815-D817 PolarHBondContact O-N 3.17Å; D817-S819 VanDerWaalsContact C-N 3.27Å; D817-S819 PolarHBondContact O-N 3.18Å; D817-M820 HydrophobicContact CB-CE 3.91Å; D817-M820 CarbonylContact O-C 3.57Å; D817-M820 WeakPolarHBondContact O-CA 3.32Å; D817-M820 WeakPolarHBondContact O-CB 3.46Å; D817-M820 PolarHBondContact O-N 3.16Å; D817-I821 HydrophobicContact CB-CD1 4.16Å; D817-I821 HydrophobicContact CB-CG1 4.5Å; D817-I821 WeakPolarHBondContact O-CB 2.86Å; D817-I821 VanDerWaalsContact O-CG1 3.28Å; D817-I821 WeakPolarHBondContact O-CG1 3.44Å; D817-I821 PolarHBondContact O-N 3.43Å |
| 818 | V | 82.9 | Confident | 88.8 | Confident | 5 Ų | 5 | 8.6 Ų | 8.6 | 3% | 0.03 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.3 | -39.8 | -178.3 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | A815 K822 Q837 A841 | A815-V818 WeakPolarHBondContact O-CB 3.4Å; A815-V818 WeakPolarHBondContact O-CG2 3.3Å; A815-V818 PolarHBondContact O-N 2.9Å; V818-K822 HydrophobicContact CG1-CD 3.98Å; V818-K822 HydrophobicContact CG1-CG 4.49Å; V818-K822 WeakPolarHBondContact O-CB 3.38Å; V818-K822 VanDerWaalsContact O-CG 3.24Å; V818-K822 WeakPolarHBondContact O-CG 3.4Å; V818-K822 PolarHBondContact O-N 3.34Å; V818-Q837 HydrophobicContact CG2-CB 4.43Å; V818-A841 HydrophobicContact CB-CB 4.47Å; V818-A841 HydrophobicContact CG1-CB 3.74Å; V818-A841 HydrophobicContact CG2-CB 4.15Å |
| 819 | S | 84.8 | Confident | 88.7 | Confident | 18 Ų | 18 | 8.6 Ų | 8.6 | 13% | 0.126 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.8 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | P790 D817 T823 | P790-S819 PolarHBondContact O-OG 2.94Å; D817-S819 VanDerWaalsContact C-N 3.27Å; D817-S819 PolarHBondContact O-N 3.18Å; S819-T823 WeakPolarHBondContact O-CB 3.39Å; S819-T823 PolarHBondContact O-N 2.87Å; S819-T823 PolarHBondContact O-OG1 3.25Å |
| 820 | M | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.2 | -51.1 | 177.2 | -172.8 | -175.5 | 57.1 | 0 | 0 | 111 | F390 L673 K793 V797 A810 V811 D817 K822 T823 A824 | F390-M820 HydrophobicContact CB-SD 3.98Å; L673-M820 HydrophobicContact CD1-SD 3.91Å; K793-M820 HydrophobicContact CB-CB 4.11Å; K793-M820 HydrophobicContact CB-CG 4.29Å; K793-M820 HydrophobicContact CB-SD 4.27Å; K793-M820 HydrophobicContact CD-SD 4.36Å; V797-M820 HydrophobicContact CG2-CG 3.66Å; A810-M820 HydrophobicContact CB-CE 4.21Å; A810-M820 HydrophobicContact CB-CG 3.82Å; A810-M820 HydrophobicContact CB-SD 4.35Å; V811-M820 WeakPolarHBondContact O-CE 3.33Å; D817-M820 HydrophobicContact CB-CE 3.91Å; D817-M820 CarbonylContact O-C 3.57Å; D817-M820 WeakPolarHBondContact O-CA 3.32Å; D817-M820 WeakPolarHBondContact O-CB 3.46Å; D817-M820 PolarHBondContact O-N 3.16Å; M820-K822 VanDerWaalsContact C-N 3.34Å; M820-K822 PolarHBondContact O-N 3.03Å; M820-T823 PolarHBondContact O-N 3.49Å; M820-T823 VanDerWaalsContact O-N 3.12Å; M820-A824 PolarHBondContact O-N 2.97Å |
| 821 | I | 90.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.1 | -42.3 | 178.4 | -70.6 | 172.2 | 0 | 0 | 0 | 111.6 | K265 A810 D817 T823 A838 | K265-I821 PolarHBondContact NZ-O 3.43Å; A810-I821 HydrophobicContact CB-CG1 4.42Å; D817-I821 HydrophobicContact CB-CD1 4.16Å; D817-I821 HydrophobicContact CB-CG1 4.5Å; D817-I821 WeakPolarHBondContact O-CB 2.86Å; D817-I821 VanDerWaalsContact O-CG1 3.28Å; D817-I821 WeakPolarHBondContact O-CG1 3.44Å; D817-I821 PolarHBondContact O-N 3.43Å; I821-T823 VanDerWaalsContact C-N 3.34Å; I821-A838 HydrophobicContact CD1-CB 3.91Å |
| 822 | K | 86.9 | Confident | 86.5 | Confident | 44 Ų | 44 | 11.9 Ų | 11.9 | 19% | 0.191 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.3 | -29.3 | 178.1 | -76.1 | 177.8 | -178.8 | 177.5 | 0 | 113.2 | C259 G260 V818 M820 | C259-K822 WeakPolarHBondContact O-CD 3.17Å; C259-K822 PolarHBondContact O-NZ 3.49Å; G260-K822 PolarHBondContact O-NZ 3.39Å; V818-K822 HydrophobicContact CG1-CD 3.98Å; V818-K822 HydrophobicContact CG1-CG 4.49Å; V818-K822 WeakPolarHBondContact O-CB 3.38Å; V818-K822 VanDerWaalsContact O-CG 3.24Å; V818-K822 WeakPolarHBondContact O-CG 3.4Å; V818-K822 PolarHBondContact O-N 3.34Å; M820-K822 VanDerWaalsContact C-N 3.34Å; M820-K822 PolarHBondContact O-N 3.03Å |
| 823 | T | 89.6 | Confident | 85.1 | Confident | 35 Ų | 35 | 19.4 Ų | 19.4 | 22% | 0.215 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -83.1 | -35.7 | -175.9 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | V797 E798 K801 S819 M820 I821 | V797-T823 HydrophobicContact CB-CG2 4.44Å; V797-T823 HydrophobicContact CG1-CG2 4.3Å; E798-T823 HydrophobicContact CB-CG2 3.96Å; K801-T823 PolarHBondContact NZ-O 3.24Å; S819-T823 WeakPolarHBondContact O-CB 3.39Å; S819-T823 PolarHBondContact O-N 2.87Å; S819-T823 PolarHBondContact O-OG1 3.25Å; M820-T823 PolarHBondContact O-N 3.49Å; M820-T823 VanDerWaalsContact O-N 3.12Å; I821-T823 VanDerWaalsContact C-N 3.34Å |
| 824 | A | 92.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -59.6 | 157.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | K265 V797 A810 M820 I826 | K265-A824 WeakPolarHBondContact CE-O 3.46Å; K265-A824 PolarHBondContact NZ-O 3.25Å; V797-A824 HydrophobicContact CG1-CB 3.91Å; A810-A824 HydrophobicContact CB-CB 3.58Å; M820-A824 PolarHBondContact O-N 2.97Å; A824-I826 VanDerWaalsContact C-N 3.28Å; A824-I826 WeakPolarHBondContact CB-O 3.28Å |
| 825 | H | 93 | Very high | 83 | Confident | 23 Ų | 23 | 20.8 Ų | 20.8 | 11% | 0.106 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -63.8 | -39.3 | 170.9 | -66.4 | 100.3 | 0 | 0 | 0 | 111.1 | K265 K801 A806 V807 T808 | K265-H825 WeakPolarHBondContact CD-O 3.37Å; K801-H825 WeakPolarHBondContact CE-NE2 3.4Å; K801-H825 VanDerWaalsContact CG-CE1 3.48Å; K801-H825 WeakPolarHBondContact CG-CE1 3.41Å; A806-H825 PolarHBondContact O-CE1 2.94Å; V807-H825 HydrophobicContact CG1-CB 4.03Å; T808-H825 PolarHBondContact N-ND1 3.32Å; T808-H825 WeakPolarHBondContact O-CB 3.33Å; T808-H825 PolarHBondContact O-N 3.1Å; T808-H825 PolarHBondContact OG1-N 3.21Å; T808-H825 PolarHBondContact OG1-ND1 3.37Å |
| 826 | I | 94.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 129.9 | 177.3 | -55.5 | 177 | 0 | 0 | 0 | 109.1 | E382 L383 V386 V807 T808 L809 A810 A824 V828 Y844 | E382-I826 HydrophobicContact CB-CD1 3.78Å; E382-I826 HydrophobicContact CB-CG1 4.32Å; L383-I826 HydrophobicContact CD2-CD1 3.79Å; L383-I826 HydrophobicContact CD2-CG2 3.92Å; L383-I826 HydrophobicContact CG-CD1 4.11Å; V386-I826 HydrophobicContact CG2-CD1 3.87Å; V807-I826 HydrophobicContact CG1-CD1 4.38Å; T808-I826 PolarHBondContact O-N 3.17Å; L809-I826 CarbonylContact C-O 3.51Å; L809-I826 WeakPolarHBondContact CA-O 3.28Å; L809-I826 HydrophobicContact CB-CB 4.35Å; L809-I826 HydrophobicContact CD1-CB 4.27Å; L809-I826 HydrophobicContact CD1-CG2 3.99Å; L809-I826 HydrophobicContact CG-CB 4.16Å; L809-I826 HydrophobicContact CG-CG2 4.17Å; A810-I826 PolarHBondContact N-O 2.98Å; A824-I826 VanDerWaalsContact C-N 3.28Å; A824-I826 WeakPolarHBondContact CB-O 3.28Å; I826-V828 HydrophobicContact CG2-CG2 4.39Å; I826-Y844 HydrophobicContact CG2-CD2 3.83Å; I826-Y844 HydrophobicContact CG2-CE2 3.77Å |
| 827 | G | 93.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D843 Y844 | G827-D843 PolarHBondContact N-OD2 3.42Å; G827-D843 WeakPolarHBondContact O-CA 3.44Å; G827-D843 WeakPolarHBondContact O-CB 3.36Å; G827-D843 PolarHBondContact O-N 3Å; G827-Y844 PolarHBondContact O-N 2.96Å; G827-Y844 VanDerWaalsContact O-N 3.12Å |
| 828 | V | 94.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.5 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 109 | L809 A810 V811 G812 I826 Y844 F846 L852 | L809-V828 HydrophobicContact CD1-CG2 4.09Å; L809-V828 HydrophobicContact CD2-CG2 3.99Å; L809-V828 HydrophobicContact CG-CG2 4.14Å; A810-V828 PolarHBondContact O-N 3.35Å; V811-V828 WeakPolarHBondContact CA-O 3.49Å; V811-V828 HydrophobicContact CG1-CB 4.34Å; V811-V828 HydrophobicContact CG1-CG1 4.22Å; V811-V828 HydrophobicContact CG2-CB 4.15Å; G812-V828 PolarHBondContact N-O 3.47Å; I826-V828 HydrophobicContact CG2-CG2 4.39Å; V828-Y844 CarbonylContact C-O 3.59Å; V828-Y844 WeakPolarHBondContact CA-O 3.16Å; V828-F846 HydrophobicContact CG1-CD1 4.17Å; V828-F846 HydrophobicContact CG1-CE1 3.31Å; V828-F846 HydrophobicContact CG1-CE2 4.2Å; V828-F846 HydrophobicContact CG1-CZ 3.35Å; V828-L852 HydrophobicContact CG2-CD1 4.38Å |
| 829 | G | 92.1 | Very high | 82 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G812 S842 Y844 S845 F846 | G812-G829 CarbonylContact O-C 3.54Å; G812-G829 VanDerWaalsContact O-CA 3.32Å; G812-G829 WeakPolarHBondContact O-CA 3.05Å; G829-S842 WeakPolarHBondContact CA-OG 3.32Å; G829-S842 PolarHBondContact N-OG 2.97Å; G829-Y844 PolarHBondContact N-O 2.98Å; G829-S845 WeakPolarHBondContact O-CA 3.34Å; G829-F846 PolarHBondContact O-N 3Å |
| 830 | I | 90.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.7 | 172.4 | -68.6 | 178.1 | 0 | 0 | 0 | 109.2 | T396 V811 G812 D813 G832 V839 F846 A847 F849 | T396-I830 HydrophobicContact CG2-CD1 3.74Å; V811-I830 HydrophobicContact CG1-CD1 3.68Å; V811-I830 HydrophobicContact CG1-CG1 3.93Å; G812-I830 PolarHBondContact O-N 3.27Å; D813-I830 WeakPolarHBondContact CA-O 3.39Å; D813-I830 HydrophobicContact CB-CB 3.97Å; D813-I830 HydrophobicContact CB-CG2 4.27Å; D813-I830 WeakPolarHBondContact CB-O 3.37Å; I830-G832 VanDerWaalsContact C-N 3.28Å; I830-G832 PolarHBondContact O-N 3.22Å; I830-V839 WeakPolarHBondContact O-CG2 3.4Å; I830-F846 CarbonylContact C-O 3.53Å; I830-F846 VanDerWaalsContact CA-O 3.29Å; I830-F846 WeakPolarHBondContact CA-O 3.45Å; I830-F846 HydrophobicContact CG1-CD2 4.48Å; I830-F846 HydrophobicContact CG1-CE2 4.11Å; I830-A847 WeakPolarHBondContact CG2-O 3.48Å; I830-F849 HydrophobicContact CD1-CB 4.06Å; I830-F849 HydrophobicContact CD1-CD2 4.17Å |
| 831 | S | 81.7 | Confident | 80.9 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 28% | 0.28 | 17% | 0.17 | S | C | . | . | trans | -79.5 | 77.9 | 174.7 | -172.8 | 0 | 0 | 0 | 0 | 110 | F846 | S831-F846 PolarHBondContact N-O 2.86Š| ||
| 832 | G | 68.9 | Low | 80.7 | Confident | 29 Ų | 29 | 30.7 Ų | 30.7 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | trans | -93.7 | -171.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I830 | I830-G832 VanDerWaalsContact C-N 3.28Å; I830-G832 PolarHBondContact O-N 3.22Å | ||
| 833 | Q | 61 | Low | 80.9 | Confident | 159 Ų | 159 | 29.1 Ų | 29.1 | 74% | 0.743 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -15.7 | 174.5 | -64.3 | -160 | 3.9 | 0 | 0 | 113.1 | G835 | Q833-G835 PolarHBondContact O-N 3.12Å; Q833-G835 VanDerWaalsContact O-N 3.17Å |
| 834 | E | 58.5 | Low | 81 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | 1.9 | -177.8 | -60.1 | -167.7 | -177.4 | 0 | 0 | 114.1 | A166 G170 T394 D813 | A166-E834 CarbonylContact C-O 3.51Å; G170-E834 VanDerWaalsContact CA-OE2 3.28Å; G170-E834 WeakPolarHBondContact CA-OE2 3.34Å; G170-E834 WeakPolarHBondContact O-CG 3.21Å; T394-E834 WeakPolarHBondContact CG2-OE1 3.26Å; D813-E834 WeakPolarHBondContact OD2-CG 3.42Å |
| 835 | G | 63.5 | Low | 81 | Confident | 21 Ų | 21 | 27.8 Ų | 27.8 | 22% | 0.216 | 16% | 0.158 | C | C | . | . | trans | 115.2 | 178.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q833 | Q833-G835 PolarHBondContact O-N 3.12Å; Q833-G835 VanDerWaalsContact O-N 3.17Å | ||
| 836 | M | 69.4 | Low | 81 | Confident | 111 Ų | 111 | 26.9 Ų | 26.9 | 55% | 0.547 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -96.6 | 1.3 | -175 | -65.7 | -173 | 72.7 | 0 | 0 | 114.1 | A838 V839 L840 | M836-A838 PolarHBondContact O-N 3.06Å; M836-V839 PolarHBondContact O-N 3.23Å; M836-L840 VanDerWaalsContact O-CG 3.29Å; M836-L840 WeakPolarHBondContact O-CG 3.4Å; M836-L840 PolarHBondContact O-N 3.31Å |
| 837 | Q | 71.4 | Confident | 80.7 | Confident | 53 Ų | 53 | 27.3 Ų | 27.3 | 25% | 0.248 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | -169.6 | -66.5 | -61.4 | -31 | 0 | 0 | 113.2 | E167 A815 V818 L840 A841 | E167-Q837 HydrophobicContact CB-CG 4.45Å; E167-Q837 HydrophobicContact CG-CG 4.43Å; E167-Q837 PolarHBondContact OE1-NE2 3.12Å; A815-Q837 HydrophobicContact CB-CB 4.2Å; V818-Q837 HydrophobicContact CG2-CB 4.43Å; Q837-L840 PolarHBondContact O-N 3.18Å; Q837-A841 WeakPolarHBondContact O-CB 3.34Å; Q837-A841 PolarHBondContact O-N 3.33Å; Q837-A841 VanDerWaalsContact O-N 3.08Å |
| 838 | A | 76.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D813 I821 M836 L840 A841 S842 | D813-A838 WeakPolarHBondContact O-CB 3.41Å; I821-A838 HydrophobicContact CD1-CB 3.91Å; M836-A838 PolarHBondContact O-N 3.06Å; A838-L840 VanDerWaalsContact C-N 3.3Å; A838-L840 PolarHBondContact O-N 3.49Å; A838-A841 CarbonylContact O-C 3.59Å; A838-A841 PolarHBondContact O-N 3.45Å; A838-A841 VanDerWaalsContact O-N 3.09Å; A838-S842 VanDerWaalsContact O-CB 3.27Å; A838-S842 WeakPolarHBondContact O-CB 3.5Å; A838-S842 PolarHBondContact O-N 2.9Å; A838-S842 PolarHBondContact O-OG 3.3Å |
| 839 | V | 79.4 | Confident | 80.5 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.9 | -39.7 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | R375 I830 M836 A841 S842 | R375-V839 WeakPolarHBondContact CD-O 3.32Å; R375-V839 PolarHBondContact NE-O 2.88Å; R375-V839 PolarHBondContact NH1-O 3.04Å; R375-V839 VanDerWaalsContact NH1-O 3.15Å; I830-V839 WeakPolarHBondContact O-CG2 3.4Å; M836-V839 PolarHBondContact O-N 3.23Å; V839-A841 VanDerWaalsContact C-N 3.3Å; V839-A841 PolarHBondContact O-N 3.39Å; V839-S842 PolarHBondContact O-OG 3.23Å |
| 840 | L | 76.3 | Confident | 80.6 | Confident | 79 Ų | 79 | 31.2 Ų | 31.2 | 41% | 0.414 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68.6 | -29.8 | 177.2 | -70.2 | 179.5 | 0 | 0 | 0 | 113.1 | M836 Q837 A838 | M836-L840 VanDerWaalsContact O-CG 3.29Å; M836-L840 WeakPolarHBondContact O-CG 3.4Å; M836-L840 PolarHBondContact O-N 3.31Å; Q837-L840 PolarHBondContact O-N 3.18Å; A838-L840 VanDerWaalsContact C-N 3.3Å; A838-L840 PolarHBondContact O-N 3.49Å |
| 841 | A | 74.4 | Confident | 80.8 | Confident | 28 Ų | 28 | 32 Ų | 32 | 23% | 0.231 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -96 | -9.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V818 Q837 A838 V839 | V818-A841 HydrophobicContact CB-CB 4.47Å; V818-A841 HydrophobicContact CG1-CB 3.74Å; V818-A841 HydrophobicContact CG2-CB 4.15Å; Q837-A841 WeakPolarHBondContact O-CB 3.34Å; Q837-A841 PolarHBondContact O-N 3.33Å; Q837-A841 VanDerWaalsContact O-N 3.08Å; A838-A841 CarbonylContact O-C 3.59Å; A838-A841 PolarHBondContact O-N 3.45Å; A838-A841 VanDerWaalsContact O-N 3.09Å; V839-A841 VanDerWaalsContact C-N 3.3Å; V839-A841 PolarHBondContact O-N 3.39Å |
| 842 | S | 87 | Confident | 81.5 | Confident | 6 Ų | 6 | 30 Ų | 30 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | trans | -87 | 160.3 | -175.2 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | G829 A838 V839 Y844 | G829-S842 WeakPolarHBondContact CA-OG 3.32Å; G829-S842 PolarHBondContact N-OG 2.97Å; A838-S842 VanDerWaalsContact O-CB 3.27Å; A838-S842 WeakPolarHBondContact O-CB 3.5Å; A838-S842 PolarHBondContact O-N 2.9Å; A838-S842 PolarHBondContact O-OG 3.3Å; V839-S842 PolarHBondContact O-OG 3.23Å; S842-Y844 VanDerWaalsContact CB-O 3.29Å; S842-Y844 WeakPolarHBondContact CB-O 3.23Å; S842-Y844 PolarHBondContact OG-O 3.47Å | ||
| 843 | D | 89.8 | Confident | 82.7 | Confident | 12 Ų | 12 | 30.8 Ų | 30.8 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -82 | -36.9 | 175.6 | -60.5 | -57.5 | 0 | 0 | 0 | 111.4 | K265 R375 T376 L379 G827 | K265-D843 WeakPolarHBondContact CE-OD2 3.34Å; K265-D843 IonicContact NZ-OD2 3.89Å; K265-D843 PolarHBondContact NZ-OD2 3.01Å; R375-D843 WeakPolarHBondContact CA-O 3.44Å; R375-D843 WeakPolarHBondContact CB-O 3.2Å; R375-D843 PolarHBondContact N-O 3.45Å; T376-D843 WeakPolarHBondContact CB-OD1 3.43Å; T376-D843 PolarHBondContact N-O 3.37Å; T376-D843 PolarHBondContact OG1-OD1 3.43Å; L379-D843 HydrophobicContact CD1-CB 3.96Å; L379-D843 VanDerWaalsContact CD1-CG 3.44Å; G827-D843 PolarHBondContact N-OD2 3.42Å; G827-D843 WeakPolarHBondContact O-CA 3.44Å; G827-D843 WeakPolarHBondContact O-CB 3.36Å; G827-D843 PolarHBondContact O-N 3Å |
| 844 | Y | 92.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.8 | 172.7 | -57.1 | -86.3 | 0 | 0 | 0 | 109.5 | I357 E373 A374 L379 N380 L383 I826 G827 V828 G829 S842 L855 | I357-Y844 HydrophobicContact CD1-CE1 3.92Å; E373-Y844 CarbonylContact O-C 3.56Å; E373-Y844 WeakPolarHBondContact O-CA 3.43Å; A374-Y844 HydrophobicContact CB-CD1 3.76Å; A374-Y844 HydrophobicContact CB-CE1 3.71Å; L379-Y844 HydrophobicContact CB-CE2 4.45Å; L379-Y844 PolarHBondContact O-OH 3.16Å; N380-Y844 VanDerWaalsContact CA-OH 3.27Å; N380-Y844 WeakPolarHBondContact CA-OH 3.2Å; N380-Y844 PolarHBondContact N-OH 3.01Å; N380-Y844 PolarHBondContact OD1-OH 3.09Å; L383-Y844 HydrophobicContact CD1-CE1 3.88Å; L383-Y844 HydrophobicContact CD1-CE2 3.92Å; L383-Y844 VanDerWaalsContact CD1-CZ 3.5Å; L383-Y844 WeakPolarHBondContact CD1-OH 3.3Å; L383-Y844 HydrophobicContact CD2-CD2 4.26Å; L383-Y844 HydrophobicContact CD2-CE2 3.84Å; L383-Y844 HydrophobicContact CG-CE2 3.99Å; I826-Y844 HydrophobicContact CG2-CD2 3.83Å; I826-Y844 HydrophobicContact CG2-CE2 3.77Å; G827-Y844 PolarHBondContact O-N 2.96Å; G827-Y844 VanDerWaalsContact O-N 3.12Å; V828-Y844 CarbonylContact C-O 3.59Å; V828-Y844 WeakPolarHBondContact CA-O 3.16Å; G829-Y844 PolarHBondContact N-O 2.98Å; S842-Y844 VanDerWaalsContact CB-O 3.29Å; S842-Y844 WeakPolarHBondContact CB-O 3.23Å; S842-Y844 PolarHBondContact OG-O 3.47Å; Y844-L855 HydrophobicContact CD1-CD1 4.36Å; Y844-L855 HydrophobicContact CG-CD2 4.22Å |
| 845 | S | 91.3 | Very high | 86.1 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 139.7 | 174 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | A372 E373 R375 G829 | A372-S845 CarbonylContact C-O 3.59Å; A372-S845 WeakPolarHBondContact CA-O 3.23Å; E373-S845 PolarHBondContact N-O 3.42Å; E373-S845 PolarHBondContact O-N 3.47Å; R375-S845 PolarHBondContact NE-OG 3.29Å; G829-S845 WeakPolarHBondContact O-CA 3.34Å |
| 846 | F | 93 | Very high | 87.6 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 170.5 | 175.2 | 50.1 | -106.6 | 0 | 0 | 0 | 110.4 | A372 V828 G829 I830 S831 Q848 Y851 L852 L855 | A372-F846 HydrophobicContact CB-CB 4.18Å; V828-F846 HydrophobicContact CG1-CD1 4.17Å; V828-F846 HydrophobicContact CG1-CE1 3.31Å; V828-F846 HydrophobicContact CG1-CE2 4.2Å; V828-F846 HydrophobicContact CG1-CZ 3.35Å; G829-F846 PolarHBondContact O-N 3Å; I830-F846 CarbonylContact C-O 3.53Å; I830-F846 VanDerWaalsContact CA-O 3.29Å; I830-F846 WeakPolarHBondContact CA-O 3.45Å; I830-F846 HydrophobicContact CG1-CD2 4.48Å; I830-F846 HydrophobicContact CG1-CE2 4.11Å; S831-F846 PolarHBondContact N-O 2.86Å; F846-Q848 WeakPolarHBondContact CD2-O 3.42Å; F846-Q848 WeakPolarHBondContact CE2-O 3.37Å; F846-Y851 HydrophobicContact CB-CD2 4.15Å; F846-Y851 HydrophobicContact CD2-CD2 4.14Å; F846-Y851 HydrophobicContact CG-CD2 4.37Å; F846-L852 HydrophobicContact CZ-CB 4.09Å; F846-L852 HydrophobicContact CZ-CD1 4.21Å; F846-L855 HydrophobicContact CD1-CD2 4.5Å; F846-L855 HydrophobicContact CE1-CD2 3.81Å |
| 847 | A | 89.9 | Confident | 88.8 | Confident | 8 Ų | 8 | 18 Ų | 18 | 7% | 0.066 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -81.6 | -29 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | H365 I830 | H365-A847 HydrophobicContact CB-CB 3.51Å; I830-A847 WeakPolarHBondContact CG2-O 3.48Å |
| 848 | Q | 91.3 | Very high | 89.9 | Confident | 21 Ų | 21 | 15.4 Ų | 15.4 | 10% | 0.098 | 8% | 0.078 | C | C | . | . | trans | -138.4 | 145.1 | -171.4 | -67.4 | -178.2 | -35.7 | 0 | 0 | 112.9 | H365 Q653 F846 R850 Y851 | H365-Q848 VanDerWaalsContact CD2-CD 3.5Å; H365-Q848 PolarHBondContact NE2-NE2 2.8Å; Q653-Q848 VanDerWaalsContact OE1-CA 3.29Å; F846-Q848 WeakPolarHBondContact CD2-O 3.42Å; F846-Q848 WeakPolarHBondContact CE2-O 3.37Å; Q848-R850 HydrophobicContact CB-CG 4.12Å; Q848-R850 PolarHBondContact O-N 2.96Å; Q848-Y851 HydrophobicContact CB-CD2 4.2Å; Q848-Y851 HydrophobicContact CB-CE2 4.06Å; Q848-Y851 PolarHBondContact O-N 3.48Å | ||
| 849 | F | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.2 | -179.4 | -173 | -94.3 | 0 | 0 | 0 | 113.7 | T396 L397 V656 T659 I660 V811 I830 Y851 L852 | T396-F849 HydrophobicContact CG2-CD2 3.89Å; T396-F849 HydrophobicContact CG2-CE2 4.31Å; L397-F849 HydrophobicContact CD2-CD1 4.26Å; L397-F849 HydrophobicContact CD2-CD2 4.12Å; L397-F849 HydrophobicContact CD2-CE1 4.05Å; L397-F849 HydrophobicContact CD2-CE2 3.91Å; L397-F849 HydrophobicContact CD2-CG 4.29Å; L397-F849 HydrophobicContact CD2-CZ 3.88Å; V656-F849 HydrophobicContact CB-CD1 4.49Å; V656-F849 HydrophobicContact CG1-CD1 4.39Å; V656-F849 HydrophobicContact CG2-CB 4.04Å; V656-F849 HydrophobicContact CG2-CD1 3.94Å; V656-F849 HydrophobicContact CG2-CG 4.29Å; T659-F849 HydrophobicContact CG2-CD1 3.97Å; T659-F849 HydrophobicContact CG2-CE1 3.7Å; I660-F849 HydrophobicContact CG1-CE1 4.06Å; V811-F849 HydrophobicContact CG1-CD2 4.31Å; V811-F849 HydrophobicContact CG1-CE2 4.49Å; I830-F849 HydrophobicContact CD1-CB 4.06Å; I830-F849 HydrophobicContact CD1-CD2 4.17Å; F849-Y851 PolarHBondContact O-N 3.38Å; F849-L852 HydrophobicContact CD2-CD2 4.42Å; F849-L852 HydrophobicContact CE2-CD2 3.79Å; F849-L852 HydrophobicContact CZ-CD2 3.86Å; F849-L852 WeakPolarHBondContact O-CB 3.49Å; F849-L852 PolarHBondContact O-N 2.87Å |
| 850 | R | 93.3 | Very high | 91.5 | Very high | 61 Ų | 61 | 16 Ų | 16 | 23% | 0.23 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.7 | 179.7 | 66.1 | 168.5 | 178.1 | -167.5 | -19.1 | 115 | E654 T659 Q848 L852 Q853 | E654-R850 WeakPolarHBondContact O-CB 3.36Å; E654-R850 IonicContact OE1-CZ 2.7Å; E654-R850 IonicContact OE1-NH1 3.73Å; E654-R850 PolarHBondContact OE1-NH1 3.38Å; E654-R850 IonicContact OE1-NH2 3.93Å; E654-R850 IonicContact OE2-CZ 3.01Å; E654-R850 VanDerWaalsContact OE2-CZ 3.26Å; E654-R850 IonicContact OE2-NH1 2.96Å; E654-R850 PolarHBondContact OE2-NH1 3.21Å; E654-R850 IonicContact OE2-NH2 2.94Å; E654-R850 PolarHBondContact OE2-NH2 3.49Å; T659-R850 WeakPolarHBondContact OG1-CA 3.48Å; Q848-R850 HydrophobicContact CB-CG 4.12Å; Q848-R850 PolarHBondContact O-N 2.96Å; R850-L852 PolarHBondContact O-N 3.43Å; R850-Q853 VanDerWaalsContact O-CG 3.31Å; R850-Q853 WeakPolarHBondContact O-CG 3.44Å |
| 851 | Y | 95.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 13 Ų | 13 | 6% | 0.063 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -73 | -16.7 | 177.9 | -59.1 | -42.6 | 0 | 0 | 0 | 112.3 | K362 M363 Y364 H365 F846 Q848 F849 Q853 R854 L855 | K362-Y851 VanDerWaalsContact O-CE1 3.29Å; K362-Y851 WeakPolarHBondContact O-CE1 3.37Å; M363-Y851 HydrophobicContact CB-CD1 4.31Å; M363-Y851 HydrophobicContact CB-CG 4.26Å; M363-Y851 HydrophobicContact CG-CD1 4.31Å; M363-Y851 HydrophobicContact CG-CG 4.43Å; Y364-Y851 PolarHBondContact O-OH 3.34Å; H365-Y851 HydrophobicContact CB-CE2 4.2Å; F846-Y851 HydrophobicContact CB-CD2 4.15Å; F846-Y851 HydrophobicContact CD2-CD2 4.14Å; F846-Y851 HydrophobicContact CG-CD2 4.37Å; Q848-Y851 HydrophobicContact CB-CD2 4.2Å; Q848-Y851 HydrophobicContact CB-CE2 4.06Å; Q848-Y851 PolarHBondContact O-N 3.48Å; F849-Y851 PolarHBondContact O-N 3.38Å; Y851-Q853 VanDerWaalsContact C-N 3.3Å; Y851-Q853 PolarHBondContact O-N 3.03Å; Y851-R854 PolarHBondContact O-N 2.95Å; Y851-R854 VanDerWaalsContact O-N 3.08Å; Y851-L855 PolarHBondContact O-N 3.2Å |
| 852 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 176.8 | -169.7 | 63.5 | 0 | 0 | 0 | 112.4 | I389 L663 L809 V811 V828 F846 F849 R850 R854 L855 L856 | I389-L852 HydrophobicContact CD1-CD2 4.16Å; L663-L852 HydrophobicContact CD1-CD2 4.26Å; L809-L852 HydrophobicContact CD1-CD1 4.34Å; L809-L852 HydrophobicContact CD2-CD1 4.25Å; V811-L852 HydrophobicContact CG2-CD1 4.43Å; V811-L852 HydrophobicContact CG2-CD2 3.92Å; V828-L852 HydrophobicContact CG2-CD1 4.38Å; F846-L852 HydrophobicContact CZ-CB 4.09Å; F846-L852 HydrophobicContact CZ-CD1 4.21Å; F849-L852 HydrophobicContact CD2-CD2 4.42Å; F849-L852 HydrophobicContact CE2-CD2 3.79Å; F849-L852 HydrophobicContact CZ-CD2 3.86Å; F849-L852 WeakPolarHBondContact O-CB 3.49Å; F849-L852 PolarHBondContact O-N 2.87Å; R850-L852 PolarHBondContact O-N 3.43Å; L852-R854 PolarHBondContact O-N 3.11Å; L852-L855 PolarHBondContact O-N 3.13Å; L852-L856 HydrophobicContact CD1-CD1 4.06Å; L852-L856 HydrophobicContact CD1-CG 4.23Å; L852-L856 HydrophobicContact CG-CD1 4.02Å; L852-L856 HydrophobicContact CG-CG 4.49Å; L852-L856 WeakPolarHBondContact O-CG 3.39Å; L852-L856 PolarHBondContact O-N 3.27Å |
| 853 | Q | 94.4 | Very high | 93.7 | Very high | 45 Ų | 45 | 12.7 Ų | 12.7 | 21% | 0.21 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -60 | -38.7 | 176.9 | 78.1 | -169.9 | -26.7 | 0 | 0 | 111.6 | T659 R850 Y851 L857 L933 | T659-Q853 HydrophobicContact CG2-CB 3.93Å; R850-Q853 VanDerWaalsContact O-CG 3.31Å; R850-Q853 WeakPolarHBondContact O-CG 3.44Å; Y851-Q853 VanDerWaalsContact C-N 3.3Å; Y851-Q853 PolarHBondContact O-N 3.03Å; Q853-L857 WeakPolarHBondContact O-CB 3.45Å; Q853-L857 VanDerWaalsContact O-CG 3.31Å; Q853-L857 WeakPolarHBondContact O-CG 3.33Å; Q853-L857 PolarHBondContact O-N 3.44Å; Q853-L933 HydrophobicContact CG-CD2 4.03Å |
| 854 | R | 94.9 | Very high | 93.8 | Very high | 27 Ų | 27 | 12.3 Ų | 12.3 | 10% | 0.102 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -78.5 | -40.3 | -178.3 | -175.3 | 167.8 | 175.9 | 86.9 | 1.7 | 110.9 | D360 M363 Y851 L852 L856 V858 H859 D929 | D360-R854 IonicContact OD1-CZ 3.67Å; D360-R854 IonicContact OD1-NE 3.43Å; D360-R854 IonicContact OD1-NH2 3.81Å; D360-R854 PolarHBondContact OD1-NH2 3.13Å; D360-R854 IonicContact OD2-CZ 3.93Å; D360-R854 VanDerWaalsContact OD2-CZ 3.29Å; D360-R854 IonicContact OD2-NE 3.43Å; D360-R854 PolarHBondContact OD2-NE 2.99Å; D360-R854 IonicContact OD2-NH2 2.68Å; D360-R854 PolarHBondContact OD2-NH2 3.48Å; M363-R854 HydrophobicContact CG-CB 4.4Å; M363-R854 HydrophobicContact CG-CG 4.21Å; M363-R854 HydrophobicContact SD-CB 4.2Å; M363-R854 HydrophobicContact SD-CG 4.1Å; Y851-R854 PolarHBondContact O-N 2.95Å; Y851-R854 VanDerWaalsContact O-N 3.08Å; L852-R854 PolarHBondContact O-N 3.11Å; R854-L856 VanDerWaalsContact C-N 3.32Å; R854-L856 PolarHBondContact O-N 3.32Å; R854-V858 HydrophobicContact CG-CB 4.32Å; R854-V858 HydrophobicContact CG-CG2 4.16Å; R854-V858 VanDerWaalsContact O-CB 3.27Å; R854-V858 WeakPolarHBondContact O-CB 3.35Å; R854-V858 PolarHBondContact O-N 2.92Å; R854-V858 VanDerWaalsContact O-N 3.14Å; R854-H859 PolarHBondContact O-N 2.62Å; R854-D929 IonicContact CZ-OD2 3.96Å; R854-D929 IonicContact NH1-OD2 2.63Å; R854-D929 PolarHBondContact NH1-OD2 3Å; R854-D929 IonicContact NH2-OD2 2.81Å |
| 855 | L | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.01 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -56.9 | -46.1 | 174.8 | -178.2 | 63.9 | 0 | 0 | 0 | 111.3 | I357 M363 L383 Y844 F846 Y851 L852 H859 G860 | I357-L855 HydrophobicContact CD1-CD1 4.08Å; I357-L855 HydrophobicContact CG1-CD1 4.39Å; I357-L855 HydrophobicContact CG2-CD1 4.16Å; M363-L855 HydrophobicContact SD-CB 4.4Å; L383-L855 HydrophobicContact CD1-CD1 3.75Å; L383-L855 HydrophobicContact CD1-CG 4Å; L383-L855 HydrophobicContact CD2-CD2 4.19Å; L383-L855 HydrophobicContact CD2-CG 4.22Å; Y844-L855 HydrophobicContact CD1-CD1 4.36Å; Y844-L855 HydrophobicContact CG-CD2 4.22Å; F846-L855 HydrophobicContact CD1-CD2 4.5Å; F846-L855 HydrophobicContact CE1-CD2 3.81Å; Y851-L855 PolarHBondContact O-N 3.2Å; L852-L855 PolarHBondContact O-N 3.13Å; L855-H859 WeakPolarHBondContact O-CB 3.25Å; L855-H859 PolarHBondContact O-N 3.05Å; L855-G860 PolarHBondContact O-N 3.14Å |
| 856 | L | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -80.8 | -58.8 | -177.7 | -63.3 | 176.7 | 0 | 0 | 0 | 112.6 | L383 V386 I389 L663 I668 L809 L852 R854 V858 G860 R861 Y939 | L383-L856 HydrophobicContact CB-CD2 4.16Å; L383-L856 HydrophobicContact CD2-CD2 3.72Å; L383-L856 WeakPolarHBondContact O-CD2 3.1Å; V386-L856 HydrophobicContact CB-CD2 4.48Å; V386-L856 HydrophobicContact CG2-CD2 3.98Å; I389-L856 HydrophobicContact CD1-CD1 3.8Å; L663-L856 HydrophobicContact CD2-CD1 3.94Å; I668-L856 HydrophobicContact CD1-CD1 4.43Å; L809-L856 HydrophobicContact CD1-CD1 4.37Å; L809-L856 HydrophobicContact CD1-CD2 3.78Å; L852-L856 HydrophobicContact CD1-CD1 4.06Å; L852-L856 HydrophobicContact CD1-CG 4.23Å; L852-L856 HydrophobicContact CG-CD1 4.02Å; L852-L856 HydrophobicContact CG-CG 4.49Å; L852-L856 WeakPolarHBondContact O-CG 3.39Å; L852-L856 PolarHBondContact O-N 3.27Å; R854-L856 VanDerWaalsContact C-N 3.32Å; R854-L856 PolarHBondContact O-N 3.32Å; L856-V858 VanDerWaalsContact C-N 3.31Å; L856-V858 PolarHBondContact O-N 3.33Å; L856-G860 PolarHBondContact O-N 3.1Å; L856-R861 PolarHBondContact O-N 2.91Å; L856-Y939 HydrophobicContact CB-CE2 4.41Å |
| 857 | L | 94.4 | Very high | 94 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -72.7 | -23.8 | -169.3 | -57.5 | 177.8 | 0 | 0 | 0 | 112.9 | C662 A666 Q853 R861 S932 L933 P936 Y939 | C662-L857 HydrophobicContact CB-CD1 4.46Å; A666-L857 HydrophobicContact CB-CD2 3.76Å; Q853-L857 WeakPolarHBondContact O-CB 3.45Å; Q853-L857 VanDerWaalsContact O-CG 3.31Å; Q853-L857 WeakPolarHBondContact O-CG 3.33Å; Q853-L857 PolarHBondContact O-N 3.44Å; L857-R861 WeakPolarHBondContact O-CB 3.3Å; L857-R861 PolarHBondContact O-NE 3.46Å; L857-S932 PolarHBondContact O-OG 2.65Å; L857-L933 HydrophobicContact CB-CD2 4.24Å; L857-L933 HydrophobicContact CD1-CD2 4.22Å; L857-P936 HydrophobicContact CD1-CB 4.06Å; L857-P936 HydrophobicContact CD1-CG 4.34Å; L857-P936 HydrophobicContact CD2-CB 4.42Å; L857-Y939 HydrophobicContact CD2-CD2 3.9Å; L857-Y939 HydrophobicContact CD2-CG 4.03Å |
| 858 | V | 94.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -103.8 | -69.4 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 110.2 | R854 L856 W862 D929 L933 | R854-V858 HydrophobicContact CG-CB 4.32Å; R854-V858 HydrophobicContact CG-CG2 4.16Å; R854-V858 VanDerWaalsContact O-CB 3.27Å; R854-V858 WeakPolarHBondContact O-CB 3.35Å; R854-V858 PolarHBondContact O-N 2.92Å; R854-V858 VanDerWaalsContact O-N 3.14Å; L856-V858 VanDerWaalsContact C-N 3.31Å; L856-V858 PolarHBondContact O-N 3.33Å; V858-W862 HydrophobicContact CG1-CD2 3.96Å; V858-W862 HydrophobicContact CG1-CE3 3.56Å; V858-W862 HydrophobicContact CG1-CH2 3.62Å; V858-W862 HydrophobicContact CG1-CZ2 3.98Å; V858-W862 HydrophobicContact CG1-CZ3 3.38Å; V858-W862 VanDerWaalsContact O-CB 3.28Å; V858-W862 WeakPolarHBondContact O-CB 3.13Å; V858-W862 VanDerWaalsContact O-CG 3.23Å; V858-W862 PolarHBondContact O-N 2.82Å; V858-D929 HydrophobicContact CG1-CB 3.86Å; V858-D929 HydrophobicContact CG2-CB 4.33Å; V858-L933 HydrophobicContact CG2-CD1 4.46Å; V858-L933 HydrophobicContact CG2-CD2 4.12Å; V858-L933 HydrophobicContact CG2-CG 3.98Å |
| 859 | H | 95.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 13.6 Ų | 13.6 | 9% | 0.088 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -68.9 | -46.5 | -171.8 | -71.9 | -71.5 | 0 | 0 | 0 | 112.8 | I357 D360 M363 R854 L855 W862 S863 | I357-H859 HydrophobicContact CD1-CB 4.38Å; I357-H859 HydrophobicContact CG1-CB 3.98Å; D360-H859 IonicContact OD2-CD2 3.76Å; D360-H859 IonicContact OD2-CE1 2.71Å; D360-H859 IonicContact OD2-NE2 2.9Å; D360-H859 PolarHBondContact OD2-NE2 2.87Å; M363-H859 VanDerWaalsContact CE-CD2 3.45Å; M363-H859 WeakPolarHBondContact CE-CD2 3.33Å; M363-H859 WeakPolarHBondContact CE-NE2 3.4Å; R854-H859 PolarHBondContact O-N 2.62Å; L855-H859 WeakPolarHBondContact O-CB 3.25Å; L855-H859 PolarHBondContact O-N 3.05Å; H859-W862 PolarHBondContact O-N 3.44Å; H859-S863 VanDerWaalsContact O-CB 3.23Å; H859-S863 WeakPolarHBondContact O-CB 3.34Å; H859-S863 PolarHBondContact O-N 2.97Å |
| 860 | G | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -63.2 | -49.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L383 G384 L855 L856 W862 S863 Y864 | L383-G860 VanDerWaalsContact CB-CA 3.42Å; G384-G860 VanDerWaalsContact CA-C 3.49Å; G384-G860 WeakPolarHBondContact CA-O 3.41Å; G384-G860 PolarHBondContact N-O 3.48Å; L855-G860 PolarHBondContact O-N 3.14Å; L856-G860 PolarHBondContact O-N 3.1Å; G860-W862 PolarHBondContact O-N 3.02Å; G860-S863 PolarHBondContact O-N 3.15Å; G860-Y864 WeakPolarHBondContact O-CB 3.38Å; G860-Y864 PolarHBondContact O-N 3.14Å |
| 861 | R | 94 | Very high | 94 | Very high | 17 Ų | 17 | 10.8 Ų | 10.8 | 6% | 0.064 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 176.2 | -166.1 | 177.6 | 71.9 | 88.5 | 22.7 | 112.2 | L856 L857 F865 D926 S932 L938 Y939 | L856-R861 PolarHBondContact O-N 2.91Å; L857-R861 WeakPolarHBondContact O-CB 3.3Å; L857-R861 PolarHBondContact O-NE 3.46Å; R861-F865 VanDerWaalsContact O-CB 3.27Å; R861-F865 WeakPolarHBondContact O-CB 3.48Å; R861-F865 PolarHBondContact O-N 3.39Å; R861-D926 IonicContact CZ-OD1 2.89Å; R861-D926 IonicContact CZ-OD2 3.52Å; R861-D926 IonicContact NH1-OD1 2.79Å; R861-D926 IonicContact NH1-OD2 3.51Å; R861-D926 PolarHBondContact NH1-OD2 2.93Å; R861-D926 IonicContact NH2-OD1 3.7Å; R861-D926 PolarHBondContact NH2-OD1 3.05Å; R861-D926 IonicContact NH2-OD2 3.96Å; R861-D926 PolarHBondContact NH2-OD2 2.67Å; R861-S932 PolarHBondContact NE-OG 2.95Å; R861-S932 PolarHBondContact NH2-OG 3.11Å; R861-L938 WeakPolarHBondContact CD-O 3.49Å; R861-Y939 HydrophobicContact CB-CD2 4.23Å |
| 862 | W | 94.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 10.8 Ų | 10.8 | 8% | 0.083 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 177.1 | -74.6 | -20 | 0 | 0 | 0 | 112.6 | V858 H859 G860 F865 R866 Q925 D926 V927 D929 | V858-W862 HydrophobicContact CG1-CD2 3.96Å; V858-W862 HydrophobicContact CG1-CE3 3.56Å; V858-W862 HydrophobicContact CG1-CH2 3.62Å; V858-W862 HydrophobicContact CG1-CZ2 3.98Å; V858-W862 HydrophobicContact CG1-CZ3 3.38Å; V858-W862 VanDerWaalsContact O-CB 3.28Å; V858-W862 WeakPolarHBondContact O-CB 3.13Å; V858-W862 VanDerWaalsContact O-CG 3.23Å; V858-W862 PolarHBondContact O-N 2.82Å; H859-W862 PolarHBondContact O-N 3.44Å; G860-W862 PolarHBondContact O-N 3.02Å; W862-F865 PolarHBondContact O-N 3.35Å; W862-R866 VanDerWaalsContact O-CB 3.28Å; W862-R866 WeakPolarHBondContact O-CB 3.46Å; W862-R866 WeakPolarHBondContact O-CD 3.47Å; W862-R866 WeakPolarHBondContact O-CG 3.23Å; W862-R866 PolarHBondContact O-N 3.45Å; W862-Q925 HydrophobicContact CZ2-CG 4.26Å; W862-D926 PolarHBondContact NE1-OD1 3.46Å; W862-V927 WeakPolarHBondContact CZ2-O 3.34Å; W862-V927 PolarHBondContact NE1-O 3.18Å; W862-V927 VanDerWaalsContact NE1-O 3.16Å; W862-D929 HydrophobicContact CH2-CB 3.8Å; W862-D929 HydrophobicContact CZ2-CB 4.18Å |
| 863 | S | 94 | Very high | 93.7 | Very high | 4 Ų | 4 | 11.1 Ų | 11.1 | 3% | 0.028 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 178.4 | -177.9 | 0 | 0 | 0 | 0 | 111 | H353 N380 E381 H859 G860 M867 | H353-S863 PolarHBondContact ND1-OG 3.42Å; N380-S863 WeakPolarHBondContact CB-OG 3.46Å; N380-S863 WeakPolarHBondContact O-CB 3.39Å; N380-S863 PolarHBondContact O-OG 3.01Å; E381-S863 PolarHBondContact N-OG 3.06Å; H859-S863 VanDerWaalsContact O-CB 3.23Å; H859-S863 WeakPolarHBondContact O-CB 3.34Å; H859-S863 PolarHBondContact O-N 2.97Å; G860-S863 PolarHBondContact O-N 3.15Å; S863-M867 VanDerWaalsContact O-CB 3.28Å; S863-M867 WeakPolarHBondContact O-CB 3.43Å; S863-M867 PolarHBondContact O-N 3.06Å |
| 864 | Y | 93.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 9.1 Ų | 9.1 | 2% | 0.02 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -60 | -50.8 | 175.1 | 179.4 | -110.4 | 0 | 0 | 0 | 111.9 | I269 Q385 G860 R866 M867 C868 G942 L947 | I269-Y864 HydrophobicContact CD1-CD2 4.19Å; I269-Y864 HydrophobicContact CD1-CE2 4.15Å; Q385-Y864 HydrophobicContact CG-CD2 3.8Å; Q385-Y864 HydrophobicContact CG-CE2 3.84Å; Q385-Y864 HydrophobicContact CG-CG 4.32Å; G860-Y864 WeakPolarHBondContact O-CB 3.38Å; G860-Y864 PolarHBondContact O-N 3.14Å; Y864-R866 PolarHBondContact O-N 3.4Å; Y864-M867 PolarHBondContact O-N 3.29Å; Y864-C868 WeakPolarHBondContact CE2-SG 3.32Å; Y864-C868 WeakPolarHBondContact O-CB 3.46Å; Y864-C868 PolarHBondContact O-N 2.94Å; Y864-C868 PolarHBondContact O-SG 3.1Å; Y864-G942 VanDerWaalsContact CE1-CA 3.49Å; Y864-L947 HydrophobicContact CD1-CD1 3.77Å; Y864-L947 HydrophobicContact CE1-CB 3.94Å; Y864-L947 HydrophobicContact CE1-CD1 3.59Å; Y864-L947 HydrophobicContact CE1-CG 3.92Å |
| 865 | F | 93.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 7.9 Ų | 7.9 | 9% | 0.088 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -56.4 | -50.6 | 179 | 177.5 | -99.6 | 0 | 0 | 0 | 112.6 | R861 W862 M867 C868 N869 D926 L947 H1013 | R861-F865 VanDerWaalsContact O-CB 3.27Å; R861-F865 WeakPolarHBondContact O-CB 3.48Å; R861-F865 PolarHBondContact O-N 3.39Å; W862-F865 PolarHBondContact O-N 3.35Å; F865-M867 VanDerWaalsContact C-N 3.35Å; F865-M867 PolarHBondContact O-N 3.06Å; F865-C868 PolarHBondContact O-N 3.44Å; F865-N869 WeakPolarHBondContact CE1-ND2 3.3Å; F865-N869 WeakPolarHBondContact CZ-ND2 3.28Å; F865-N869 PolarHBondContact O-N 2.89Å; F865-D926 HydrophobicContact CD1-CB 4.26Å; F865-D926 HydrophobicContact CE1-CB 3.85Å; F865-D926 HydrophobicContact CE2-CB 4.13Å; F865-D926 HydrophobicContact CZ-CB 3.76Å; F865-L947 HydrophobicContact CB-CD1 4.26Å; F865-L947 HydrophobicContact CD2-CD1 3.78Å; F865-H1013 AromaticContact CZ-CD2 3.48Å; F865-H1013 VanDerWaalsContact CZ-CD2 3.48Å; F865-H1013 WeakPolarHBondContact CZ-CD2 3.42Å; F865-H1013 AromaticContact CZ-NE2 3.79Å |
| 866 | R | 94.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 8.1 Ų | 8.1 | 5% | 0.045 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 178.7 | -72.5 | 167.5 | -171 | 165.8 | 5.1 | 111.7 | W862 Y864 F870 G921 L922 D924 | W862-R866 VanDerWaalsContact O-CB 3.28Å; W862-R866 WeakPolarHBondContact O-CB 3.46Å; W862-R866 WeakPolarHBondContact O-CD 3.47Å; W862-R866 WeakPolarHBondContact O-CG 3.23Å; W862-R866 PolarHBondContact O-N 3.45Å; Y864-R866 PolarHBondContact O-N 3.4Å; R866-F870 WeakPolarHBondContact O-CB 3.42Å; R866-F870 PolarHBondContact O-N 3.25Å; R866-G921 WeakPolarHBondContact CB-O 3.46Å; R866-G921 WeakPolarHBondContact CD-O 3.47Å; R866-L922 VanDerWaalsContact CZ-O 3.24Å; R866-L922 PolarHBondContact NE-O 3.49Å; R866-L922 PolarHBondContact NH1-O 3.13Å; R866-L922 VanDerWaalsContact NH1-O 3.14Å; R866-D924 PolarHBondContact NE-O 3.38Å; R866-D924 PolarHBondContact NH2-O 3.27Å |
| 867 | M | 92.7 | Very high | 93 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | 179.1 | -172.4 | 62.8 | 74.2 | 0 | 0 | 111.2 | I269 V346 L349 R350 E381 S863 Y864 F865 F870 L871 | I269-M867 HydrophobicContact CD1-CB 4.44Å; I269-M867 HydrophobicContact CD1-CG 3.87Å; V346-M867 HydrophobicContact CG1-CE 3.92Å; V346-M867 HydrophobicContact CG1-SD 4.14Å; V346-M867 HydrophobicContact CG2-SD 4.1Å; L349-M867 HydrophobicContact CB-CE 4.31Å; R350-M867 HydrophobicContact CG-CE 4.03Å; E381-M867 HydrophobicContact CB-CB 4.31Å; E381-M867 HydrophobicContact CB-CG 4.48Å; S863-M867 VanDerWaalsContact O-CB 3.28Å; S863-M867 WeakPolarHBondContact O-CB 3.43Å; S863-M867 PolarHBondContact O-N 3.06Å; Y864-M867 PolarHBondContact O-N 3.29Å; F865-M867 VanDerWaalsContact C-N 3.35Å; F865-M867 PolarHBondContact O-N 3.06Å; M867-F870 PolarHBondContact O-N 3.35Å; M867-F870 HydrophobicContact SD-CD1 4.13Å; M867-L871 HydrophobicContact CG-CD1 4.2Å; M867-L871 WeakPolarHBondContact O-CB 3.06Å; M867-L871 VanDerWaalsContact O-CG 3.25Å; M867-L871 WeakPolarHBondContact O-CG 3.42Å; M867-L871 PolarHBondContact O-N 2.86Å |
| 868 | C | 92 | Very high | 92.8 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.007 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 177.4 | -70.8 | 0 | 0 | 0 | 0 | 112.6 | Y864 F865 L871 A872 L947 F948 | Y864-C868 WeakPolarHBondContact CE2-SG 3.32Å; Y864-C868 WeakPolarHBondContact O-CB 3.46Å; Y864-C868 PolarHBondContact O-N 2.94Å; Y864-C868 PolarHBondContact O-SG 3.1Å; F865-C868 PolarHBondContact O-N 3.44Å; C868-L871 PolarHBondContact O-N 3.18Å; C868-A872 WeakPolarHBondContact O-CB 3.44Å; C868-A872 PolarHBondContact O-N 3.39Å; C868-L947 HydrophobicContact CB-CB 3.82Å; C868-F948 HydrophobicContact CB-CB 3.74Å; C868-F948 WeakPolarHBondContact SG-CB 3.43Å |
| 869 | N | 91.7 | Very high | 92.7 | Very high | 33 Ų | 33 | 8.3 Ų | 8.3 | 18% | 0.176 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 178.6 | -77.2 | 0.2 | 0 | 0 | 0 | 111.8 | F865 L871 A872 Y873 M920 | F865-N869 WeakPolarHBondContact CE1-ND2 3.3Å; F865-N869 WeakPolarHBondContact CZ-ND2 3.28Å; F865-N869 PolarHBondContact O-N 2.89Å; N869-L871 PolarHBondContact O-N 2.75Å; N869-A872 PolarHBondContact O-N 3.32Å; N869-Y873 WeakPolarHBondContact O-CB 3.08Å; N869-Y873 PolarHBondContact O-N 3.34Å; N869-M920 HydrophobicContact CB-CE 3.7Å; N869-M920 HydrophobicContact CB-SD 4.27Å |
| 870 | F | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -55.2 | -51 | 172.8 | 162.2 | -93 | 0 | 0 | 0 | 111.1 | L342 S345 V346 L349 R866 M867 Y873 F874 V917 | L342-F870 HydrophobicContact CD1-CE1 3.79Å; L342-F870 HydrophobicContact CD1-CZ 4.08Å; S345-F870 VanDerWaalsContact CB-CZ 3.46Å; V346-F870 HydrophobicContact CG2-CD1 4.38Å; V346-F870 HydrophobicContact CG2-CE1 3.58Å; V346-F870 HydrophobicContact CG2-CZ 4.34Å; L349-F870 HydrophobicContact CD1-CB 3.96Å; L349-F870 HydrophobicContact CD1-CD1 3.76Å; L349-F870 HydrophobicContact CD1-CD2 3.53Å; L349-F870 HydrophobicContact CD1-CE1 4.21Å; L349-F870 HydrophobicContact CD1-CE2 3.97Å; L349-F870 HydrophobicContact CD1-CG 3.44Å; L349-F870 VanDerWaalsContact CD1-CG 3.44Å; L349-F870 HydrophobicContact CD1-CZ 4.33Å; R866-F870 WeakPolarHBondContact O-CB 3.42Å; R866-F870 PolarHBondContact O-N 3.25Å; M867-F870 PolarHBondContact O-N 3.35Å; M867-F870 HydrophobicContact SD-CD1 4.13Å; F870-Y873 PolarHBondContact O-N 2.71Å; F870-F874 HydrophobicContact CE2-CB 4.48Å; F870-F874 AromaticContact CE2-CD2 3.81Å; F870-F874 HydrophobicContact CE2-CD2 3.81Å; F870-F874 HydrophobicContact CE2-CE2 4.49Å; F870-F874 HydrophobicContact CE2-CG 4.44Å; F870-F874 HydrophobicContact CZ-CB 4.29Å; F870-F874 AromaticContact CZ-CD2 3.73Å; F870-F874 HydrophobicContact CZ-CD2 3.73Å; F870-F874 HydrophobicContact CZ-CE2 4.3Å; F870-F874 HydrophobicContact CZ-CG 4.1Å; F870-F874 WeakPolarHBondContact O-CB 3.17Å; F870-F874 PolarHBondContact O-N 2.98Å; F870-V917 HydrophobicContact CD2-CG1 3.28Å; F870-V917 HydrophobicContact CE2-CG1 3.3Å |
| 871 | L | 91.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 7.4 Ų | 7.4 | 1% | 0.01 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | -178.4 | -72.6 | 174.1 | 0 | 0 | 0 | 112 | I269 L342 V346 M867 C868 N869 Y873 F874 F875 F948 | I269-L871 HydrophobicContact CG2-CD1 3.61Å; L342-L871 HydrophobicContact CD1-CD2 3.7Å; V346-L871 HydrophobicContact CG2-CD2 4.28Å; M867-L871 HydrophobicContact CG-CD1 4.2Å; M867-L871 WeakPolarHBondContact O-CB 3.06Å; M867-L871 VanDerWaalsContact O-CG 3.25Å; M867-L871 WeakPolarHBondContact O-CG 3.42Å; M867-L871 PolarHBondContact O-N 2.86Å; C868-L871 PolarHBondContact O-N 3.18Å; N869-L871 PolarHBondContact O-N 2.75Å; L871-Y873 PolarHBondContact O-N 2.91Å; L871-F874 PolarHBondContact O-N 3.25Å; L871-F875 WeakPolarHBondContact O-CD2 3.27Å; L871-F875 PolarHBondContact O-N 2.83Å; L871-F948 HydrophobicContact CB-CD2 4.26Å; L871-F948 HydrophobicContact CB-CE1 4.19Å; L871-F948 HydrophobicContact CB-CE2 3.91Å; L871-F948 HydrophobicContact CB-CZ 3.88Å; L871-F948 HydrophobicContact CD1-CD1 4.05Å; L871-F948 HydrophobicContact CD1-CE1 3.99Å |
| 872 | A | 91 | Very high | 92.3 | Very high | 16 Ų | 16 | 6.6 Ų | 6.6 | 13% | 0.132 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -57.9 | -50.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C868 N869 Y876 F948 | C868-A872 WeakPolarHBondContact O-CB 3.44Å; C868-A872 PolarHBondContact O-N 3.39Å; N869-A872 PolarHBondContact O-N 3.32Å; A872-Y876 WeakPolarHBondContact O-CB 3.49Å; A872-Y876 PolarHBondContact O-N 3.46Å; A872-Y876 VanDerWaalsContact O-N 3.11Å; A872-F948 HydrophobicContact CB-CD2 4.25Å; A872-F948 HydrophobicContact CB-CE2 4.26Å |
| 873 | Y | 92.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 5.8 Ų | 5.8 | 3% | 0.027 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 178.3 | 178.7 | -92 | 0 | 0 | 0 | 112.2 | N869 F870 L871 F875 Y876 K877 V917 V1004 Q1007 I1008 | N869-Y873 WeakPolarHBondContact O-CB 3.08Å; N869-Y873 PolarHBondContact O-N 3.34Å; F870-Y873 PolarHBondContact O-N 2.71Å; L871-Y873 PolarHBondContact O-N 2.91Å; Y873-F875 PolarHBondContact O-N 3.47Å; Y873-Y876 HydrophobicContact CD2-CD1 4.29Å; Y873-Y876 HydrophobicContact CE2-CD1 4.29Å; Y873-Y876 WeakPolarHBondContact O-CB 3.37Å; Y873-Y876 PolarHBondContact O-N 3.44Å; Y873-K877 HydrophobicContact CD1-CD 4.13Å; Y873-K877 HydrophobicContact CE1-CB 4.24Å; Y873-K877 HydrophobicContact CE1-CD 3.62Å; Y873-K877 HydrophobicContact CE1-CG 4.44Å; Y873-K877 PolarHBondContact O-N 3.5Å; Y873-V917 HydrophobicContact CD1-CG1 4.49Å; Y873-V917 HydrophobicContact CD1-CG2 3.68Å; Y873-V917 HydrophobicContact CE1-CG2 3.32Å; Y873-V1004 WeakPolarHBondContact OH-CG1 3.4Å; Y873-V1004 PolarHBondContact OH-O 3.19Å; Y873-Q1007 HydrophobicContact CE2-CB 4.33Å; Y873-Q1007 HydrophobicContact CE2-CG 4.14Å; Y873-I1008 HydrophobicContact CD1-CD1 4.33Å; Y873-I1008 HydrophobicContact CD2-CB 4.26Å; Y873-I1008 HydrophobicContact CE1-CB 4.21Å; Y873-I1008 HydrophobicContact CE1-CD1 3.95Å; Y873-I1008 HydrophobicContact CE1-CG1 4.43Å; Y873-I1008 HydrophobicContact CE2-CB 3.55Å; Y873-I1008 HydrophobicContact CE2-CG1 4.32Å; Y873-I1008 WeakPolarHBondContact OH-CB 3.5Å |
| 874 | F | 91.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 5.6 Ų | 5.6 | 1% | 0.013 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | -178.4 | -165.7 | -83.7 | 0 | 0 | 0 | 112 | P339 S341 L342 F870 L871 K877 N878 V917 | P339-F874 HydrophobicContact CB-CE1 3.5Å; P339-F874 VanDerWaalsContact CB-CE1 3.5Å; P339-F874 HydrophobicContact CB-CZ 4Å; P339-F874 HydrophobicContact CG-CD1 4.06Å; P339-F874 HydrophobicContact CG-CE1 3.36Å; P339-F874 HydrophobicContact CG-CZ 4.34Å; S341-F874 WeakPolarHBondContact OG-CZ 3.22Å; L342-F874 HydrophobicContact CB-CD1 4.09Å; L342-F874 HydrophobicContact CB-CE1 3.49Å; L342-F874 VanDerWaalsContact CB-CE1 3.49Å; L342-F874 HydrophobicContact CB-CZ 4.01Å; L342-F874 HydrophobicContact CD1-CD1 3.58Å; L342-F874 HydrophobicContact CD1-CE1 3.87Å; L342-F874 HydrophobicContact CD1-CG 4.04Å; L342-F874 HydrophobicContact CG-CD1 4.33Å; L342-F874 HydrophobicContact CG-CE1 4.21Å; F870-F874 HydrophobicContact CE2-CB 4.48Å; F870-F874 AromaticContact CE2-CD2 3.81Å; F870-F874 HydrophobicContact CE2-CD2 3.81Å; F870-F874 HydrophobicContact CE2-CE2 4.49Å; F870-F874 HydrophobicContact CE2-CG 4.44Å; F870-F874 HydrophobicContact CZ-CB 4.29Å; F870-F874 AromaticContact CZ-CD2 3.73Å; F870-F874 HydrophobicContact CZ-CD2 3.73Å; F870-F874 HydrophobicContact CZ-CE2 4.3Å; F870-F874 HydrophobicContact CZ-CG 4.1Å; F870-F874 WeakPolarHBondContact O-CB 3.17Å; F870-F874 PolarHBondContact O-N 2.98Å; L871-F874 PolarHBondContact O-N 3.25Å; F874-K877 VanDerWaalsContact CD2-CE 3.44Å; F874-K877 WeakPolarHBondContact O-CG 3.38Å; F874-N878 VanDerWaalsContact CD1-ND2 3.31Å; F874-N878 WeakPolarHBondContact CD1-ND2 3.38Å; F874-N878 WeakPolarHBondContact CE1-ND2 3.27Å; F874-N878 PolarHBondContact O-N 2.92Å; F874-N878 PolarHBondContact O-ND2 2.71Å; F874-V917 HydrophobicContact CD2-CG1 4.18Å |
| 875 | F | 90.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 5.5 Ų | 5.5 | 1% | 0.009 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -67.2 | -46.3 | 172 | -75.3 | -62 | 0 | 0 | 0 | 111.4 | L276 I280 L342 L871 Y873 K877 N878 F879 F948 F953 | L276-F875 HydrophobicContact CD1-CE2 4.34Å; I280-F875 HydrophobicContact CD1-CD1 4.11Å; I280-F875 HydrophobicContact CD1-CE1 3.58Å; I280-F875 HydrophobicContact CD1-CZ 4.44Å; L342-F875 HydrophobicContact CD2-CE1 4.14Å; L342-F875 HydrophobicContact CD2-CZ 3.77Å; L871-F875 WeakPolarHBondContact O-CD2 3.27Å; L871-F875 PolarHBondContact O-N 2.83Å; Y873-F875 PolarHBondContact O-N 3.47Å; F875-K877 PolarHBondContact O-N 3.43Å; F875-N878 PolarHBondContact O-N 3.45Å; F875-F879 HydrophobicContact CB-CD2 4.27Å; F875-F879 HydrophobicContact CB-CE2 4.17Å; F875-F879 HydrophobicContact CD1-CE2 4.28Å; F875-F879 WeakPolarHBondContact O-CD2 3.25Å; F875-F879 PolarHBondContact O-N 2.59Å; F875-F948 HydrophobicContact CD2-CZ 4.07Å; F875-F948 HydrophobicContact CE2-CZ 4.03Å; F875-F953 HydrophobicContact CB-CE2 4.39Å; F875-F953 AromaticContact CD1-CE2 3.83Å; F875-F953 HydrophobicContact CD1-CE2 3.83Å; F875-F953 AromaticContact CD2-CD2 3.91Å; F875-F953 HydrophobicContact CD2-CD2 3.91Å; F875-F953 HydrophobicContact CD2-CE2 4Å; F875-F953 HydrophobicContact CE1-CE2 4.06Å; F875-F953 HydrophobicContact CE2-CD2 4.22Å; F875-F953 HydrophobicContact CE2-CE2 4.23Å; F875-F953 HydrophobicContact CG-CD2 4.1Å; F875-F953 AromaticContact CG-CE2 3.81Å; F875-F953 HydrophobicContact CG-CE2 3.81Å; F875-F953 HydrophobicContact CZ-CE2 4.25Å |
| 876 | Y | 92.3 | Very high | 92 | Very high | 6 Ų | 6 | 5.1 Ų | 5.1 | 2% | 0.024 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -51.3 | -53 | 177.6 | 163.9 | -100.8 | 0 | 0 | 0 | 112.5 | A872 Y873 N878 F879 A880 Q959 T963 Q1007 | A872-Y876 WeakPolarHBondContact O-CB 3.49Å; A872-Y876 PolarHBondContact O-N 3.46Å; A872-Y876 VanDerWaalsContact O-N 3.11Å; Y873-Y876 HydrophobicContact CD2-CD1 4.29Å; Y873-Y876 HydrophobicContact CE2-CD1 4.29Å; Y873-Y876 WeakPolarHBondContact O-CB 3.37Å; Y873-Y876 PolarHBondContact O-N 3.44Å; Y876-N878 VanDerWaalsContact C-N 3.32Å; Y876-N878 PolarHBondContact O-N 3.04Å; Y876-F879 PolarHBondContact O-N 3.48Å; Y876-A880 WeakPolarHBondContact O-CB 3.41Å; Y876-A880 PolarHBondContact O-N 3Å; Y876-Q959 HydrophobicContact CD2-CB 4.14Å; Y876-Q959 HydrophobicContact CD2-CG 3.92Å; Y876-Q959 HydrophobicContact CE2-CB 4.36Å; Y876-Q959 HydrophobicContact CE2-CG 3.73Å; Y876-T963 WeakPolarHBondContact CE2-OG1 3.22Å; Y876-T963 WeakPolarHBondContact OH-CG2 3.47Å; Y876-T963 PolarHBondContact OH-OG1 3.15Å; Y876-T963 VanDerWaalsContact OH-OG1 3.04Å; Y876-Q1007 HydrophobicContact CD1-CG 4.29Å; Y876-Q1007 HydrophobicContact CE1-CB 4.2Å; Y876-Q1007 HydrophobicContact CE1-CG 3.64Å |
| 877 | K | 91.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64 | -36.3 | -177.3 | 82.6 | -171.5 | -177.3 | 83.6 | 0 | 112.6 | Y873 F874 F875 F881 N909 T913 V917 V1004 | Y873-K877 HydrophobicContact CD1-CD 4.13Å; Y873-K877 HydrophobicContact CE1-CB 4.24Å; Y873-K877 HydrophobicContact CE1-CD 3.62Å; Y873-K877 HydrophobicContact CE1-CG 4.44Å; Y873-K877 PolarHBondContact O-N 3.5Å; F874-K877 VanDerWaalsContact CD2-CE 3.44Å; F874-K877 WeakPolarHBondContact O-CG 3.38Å; F875-K877 PolarHBondContact O-N 3.43Å; K877-F881 WeakPolarHBondContact O-CB 3.48Å; K877-F881 PolarHBondContact O-N 3.49Å; K877-N909 PolarHBondContact NZ-OD1 3.16Å; K877-T913 PolarHBondContact NZ-OG1 3.43Å; K877-V917 HydrophobicContact CD-CG2 4.23Å; K877-V1004 HydrophobicContact CB-CG1 3.85Å; K877-V1004 HydrophobicContact CB-CG2 4.38Å |
| 878 | N | 91 | Very high | 91.8 | Very high | 2 Ų | 2 | 7.6 Ų | 7.6 | 1% | 0.011 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -71.5 | -42.8 | 179.8 | -81.7 | -74.1 | 0 | 0 | 0 | 110.9 | F874 F875 Y876 F881 T882 N909 | F874-N878 VanDerWaalsContact CD1-ND2 3.31Å; F874-N878 WeakPolarHBondContact CD1-ND2 3.38Å; F874-N878 WeakPolarHBondContact CE1-ND2 3.27Å; F874-N878 PolarHBondContact O-N 2.92Å; F874-N878 PolarHBondContact O-ND2 2.71Å; F875-N878 PolarHBondContact O-N 3.45Å; Y876-N878 VanDerWaalsContact C-N 3.32Å; Y876-N878 PolarHBondContact O-N 3.04Å; N878-F881 PolarHBondContact O-N 3.37Å; N878-T882 WeakPolarHBondContact O-CB 3.44Å; N878-T882 WeakPolarHBondContact O-CG2 3.36Å; N878-T882 PolarHBondContact O-N 2.69Å; N878-T882 PolarHBondContact O-OG1 2.79Å; N878-N909 PolarHBondContact OD1-ND2 2.97Å; N878-N909 PolarHBondContact OD1-OD1 2.79Å |
| 879 | F | 92.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 7.6 Ų | 7.6 | 2% | 0.018 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 173.8 | -75.4 | -64.9 | 0 | 0 | 0 | 111.9 | I280 F283 V337 F875 Y876 F881 T882 L883 F953 T957 | I280-F879 HydrophobicContact CD1-CZ 4.47Å; I280-F879 HydrophobicContact CG1-CZ 4.26Å; F283-F879 HydrophobicContact CE1-CE1 4.35Å; V337-F879 HydrophobicContact CG1-CD1 4.12Å; V337-F879 HydrophobicContact CG1-CE1 3.54Å; V337-F879 HydrophobicContact CG1-CZ 4.23Å; F875-F879 HydrophobicContact CB-CD2 4.27Å; F875-F879 HydrophobicContact CB-CE2 4.17Å; F875-F879 HydrophobicContact CD1-CE2 4.28Å; F875-F879 WeakPolarHBondContact O-CD2 3.25Å; F875-F879 PolarHBondContact O-N 2.59Å; Y876-F879 PolarHBondContact O-N 3.48Å; F879-F881 VanDerWaalsContact C-N 3.32Å; F879-F881 PolarHBondContact O-N 3.01Å; F879-T882 PolarHBondContact O-OG1 2.81Å; F879-L883 HydrophobicContact CB-CD1 4.24Å; F879-L883 HydrophobicContact CD1-CD1 4.22Å; F879-L883 WeakPolarHBondContact O-CB 3.1Å; F879-L883 WeakPolarHBondContact O-CG 3.44Å; F879-L883 PolarHBondContact O-N 2.75Å; F879-L883 VanDerWaalsContact O-N 3.17Å; F879-F953 HydrophobicContact CE2-CE2 4.23Å; F879-F953 HydrophobicContact CE2-CZ 4.22Å; F879-F953 HydrophobicContact CZ-CZ 4.24Å; F879-T957 HydrophobicContact CD1-CG2 4.13Å; F879-T957 HydrophobicContact CD2-CG2 4.01Å; F879-T957 HydrophobicContact CE1-CG2 3.92Å; F879-T957 HydrophobicContact CE2-CG2 3.81Å; F879-T957 WeakPolarHBondContact CE2-OG1 3.46Å; F879-T957 HydrophobicContact CG-CG2 4.18Å; F879-T957 HydrophobicContact CZ-CG2 3.77Å |
| 880 | A | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y876 V884 G960 T963 S964 L1000 | Y876-A880 WeakPolarHBondContact O-CB 3.41Å; Y876-A880 PolarHBondContact O-N 3Å; A880-V884 WeakPolarHBondContact O-CG2 3.48Å; A880-G960 WeakPolarHBondContact CA-O 3.49Å; A880-T963 HydrophobicContact CB-CG2 4.09Å; A880-S964 WeakPolarHBondContact O-CB 3.43Å; A880-L1000 HydrophobicContact CB-CD1 4.36Å |
| 881 | F | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -71.8 | -50.3 | 177.6 | 164.9 | -115 | 0 | 0 | 0 | 113.1 | T336 K877 N878 F879 Y900 F904 I905 F908 L1000 | T336-F881 HydrophobicContact CG2-CE1 4.04Å; K877-F881 WeakPolarHBondContact O-CB 3.48Å; K877-F881 PolarHBondContact O-N 3.49Å; N878-F881 PolarHBondContact O-N 3.37Å; F879-F881 VanDerWaalsContact C-N 3.32Å; F879-F881 PolarHBondContact O-N 3.01Å; F881-Y900 HydrophobicContact CD2-CD2 4.05Å; F881-Y900 AromaticContact CD2-CE2 3.56Å; F881-Y900 HydrophobicContact CD2-CE2 3.56Å; F881-Y900 AromaticContact CE2-CD2 3.43Å; F881-Y900 HydrophobicContact CE2-CD2 3.43Å; F881-Y900 VanDerWaalsContact CE2-CD2 3.43Å; F881-Y900 AromaticContact CE2-CE2 3.45Å; F881-Y900 HydrophobicContact CE2-CE2 3.45Å; F881-Y900 VanDerWaalsContact CE2-CE2 3.45Å; F881-Y900 HydrophobicContact CE2-CG 4.3Å; F881-Y900 HydrophobicContact CZ-CD2 4.25Å; F881-Y900 HydrophobicContact CZ-CE2 4.48Å; F881-F904 HydrophobicContact CD2-CE1 4.27Å; F881-F904 HydrophobicContact CE2-CD1 4.18Å; F881-F904 AromaticContact CE2-CE1 3.89Å; F881-F904 HydrophobicContact CE2-CE1 3.89Å; F881-I905 HydrophobicContact CZ-CB 4.25Å; F881-I905 HydrophobicContact CZ-CG1 4.13Å; F881-I905 HydrophobicContact CZ-CG2 4.12Å; F881-F908 HydrophobicContact CB-CD1 4.17Å; F881-F908 HydrophobicContact CB-CE1 3.55Å; F881-F908 HydrophobicContact CB-CZ 3.89Å; F881-F908 AromaticContact CD1-CD1 3.86Å; F881-F908 HydrophobicContact CD1-CD1 3.86Å; F881-F908 HydrophobicContact CD1-CE1 4.06Å; F881-F908 HydrophobicContact CD2-CD1 4.06Å; F881-F908 HydrophobicContact CD2-CE1 4.21Å; F881-F908 HydrophobicContact CD2-CG 4.23Å; F881-F908 HydrophobicContact CE1-CD1 4.27Å; F881-F908 HydrophobicContact CE2-CD1 4.43Å; F881-F908 HydrophobicContact CE2-CG 4.37Å; F881-F908 AromaticContact CG-CD1 3.74Å; F881-F908 HydrophobicContact CG-CD1 3.74Å; F881-F908 AromaticContact CG-CE1 3.67Å; F881-F908 HydrophobicContact CG-CE1 3.67Å; F881-F908 HydrophobicContact CG-CG 4.38Å; F881-F908 HydrophobicContact CG-CZ 4.25Å; F881-L1000 HydrophobicContact CB-CD1 4.49Å; F881-L1000 HydrophobicContact CB-CD2 3.89Å; F881-L1000 HydrophobicContact CD2-CD2 3.51Å; F881-L1000 HydrophobicContact CG-CD2 4.15Å |
| 882 | T | 90.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -73.9 | -43.3 | -168.4 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | T336 V337 N878 F879 V884 H885 | T336-T882 VanDerWaalsContact C-CG2 3.41Å; T336-T882 WeakPolarHBondContact OG1-CG2 3.47Å; V337-T882 HydrophobicContact CB-CG2 4.5Å; V337-T882 HydrophobicContact CG2-CG2 3.83Å; V337-T882 WeakPolarHBondContact CG2-OG1 3.27Å; N878-T882 WeakPolarHBondContact O-CB 3.44Å; N878-T882 WeakPolarHBondContact O-CG2 3.36Å; N878-T882 PolarHBondContact O-N 2.69Å; N878-T882 PolarHBondContact O-OG1 2.79Å; F879-T882 PolarHBondContact O-OG1 2.81Å; T882-V884 PolarHBondContact O-N 3.36Å; T882-V884 VanDerWaalsContact O-N 3.13Å; T882-H885 WeakPolarHBondContact O-CB 3.15Å; T882-H885 PolarHBondContact O-N 3.28Å; T882-H885 PolarHBondContact O-ND1 3.07Å |
| 883 | L | 92.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.4 | -14.6 | -174.8 | -68.8 | 174.5 | 0 | 0 | 0 | 113.2 | F283 F879 H885 F886 W887 M961 S964 | F283-L883 HydrophobicContact CE1-CD2 4.16Å; F283-L883 HydrophobicContact CZ-CD2 4.29Å; F879-L883 HydrophobicContact CB-CD1 4.24Å; F879-L883 HydrophobicContact CD1-CD1 4.22Å; F879-L883 WeakPolarHBondContact O-CB 3.1Å; F879-L883 WeakPolarHBondContact O-CG 3.44Å; F879-L883 PolarHBondContact O-N 2.75Å; F879-L883 VanDerWaalsContact O-N 3.17Å; L883-H885 PolarHBondContact O-N 2.89Å; L883-F886 HydrophobicContact CD2-CB 4.45Å; L883-F886 WeakPolarHBondContact O-CB 3.15Å; L883-F886 PolarHBondContact O-N 3.16Å; L883-W887 PolarHBondContact O-N 3.14Å; L883-M961 HydrophobicContact CD1-CB 3.82Å; L883-M961 HydrophobicContact CD1-CG 4.01Å; L883-S964 VanDerWaalsContact CB-OG 3.25Å; L883-S964 WeakPolarHBondContact CB-OG 3.22Å |
| 884 | V | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.6 | -36.7 | 169.6 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | A880 T882 F886 W887 Y888 V899 Y900 L967 F968 I996 | A880-V884 WeakPolarHBondContact O-CG2 3.48Å; T882-V884 PolarHBondContact O-N 3.36Å; T882-V884 VanDerWaalsContact O-N 3.13Å; V884-F886 VanDerWaalsContact C-N 3.31Å; V884-F886 PolarHBondContact O-N 3.39Å; V884-W887 PolarHBondContact O-N 3.12Å; V884-Y888 WeakPolarHBondContact O-CB 3.35Å; V884-Y888 PolarHBondContact O-N 3.45Å; V884-V899 HydrophobicContact CG1-CB 4.49Å; V884-V899 HydrophobicContact CG1-CG1 4.07Å; V884-V899 HydrophobicContact CG1-CG2 4.33Å; V884-Y900 HydrophobicContact CB-CE2 4.41Å; V884-Y900 HydrophobicContact CG1-CE2 4.5Å; V884-L967 HydrophobicContact CG2-CB 4.37Å; V884-F968 HydrophobicContact CG1-CB 4.42Å; V884-F968 HydrophobicContact CG1-CD2 4.09Å; V884-I996 HydrophobicContact CG1-CG2 4.21Å |
| 885 | H | 90.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.019 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.2 | -34.6 | 174.8 | -62.2 | 90.4 | 0 | 0 | 0 | 112.3 | I333 L334 T882 L883 G889 Y900 | I333-H885 HydrophobicContact CG2-CB 3.78Å; I333-H885 VanDerWaalsContact CG2-CD2 3.45Å; I333-H885 WeakPolarHBondContact CG2-CD2 3.31Å; L334-H885 HydrophobicContact CD2-CB 4.15Å; T882-H885 WeakPolarHBondContact O-CB 3.15Å; T882-H885 PolarHBondContact O-N 3.28Å; T882-H885 PolarHBondContact O-ND1 3.07Å; L883-H885 PolarHBondContact O-N 2.89Å; H885-G889 PolarHBondContact O-N 2.98Å; H885-G889 VanDerWaalsContact O-N 3.07Å; H885-Y900 AromaticContact CE1-CD2 3.36Å; H885-Y900 WeakPolarHBondContact CE1-CD2 3.42Å; H885-Y900 AromaticContact CE1-CE2 3.65Å; H885-Y900 AromaticContact NE2-CD2 3.62Å |
| 886 | F | 91.8 | Very high | 90.1 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 5% | 0.048 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.8 | -46.7 | 175.8 | 175 | -97.6 | 0 | 0 | 0 | 110.8 | M287 L291 L883 V884 Y888 G889 F890 | M287-F886 HydrophobicContact CB-CD2 4.29Å; M287-F886 HydrophobicContact CB-CE2 4.35Å; M287-F886 HydrophobicContact CE-CE1 4.43Å; M287-F886 HydrophobicContact CE-CE2 4.4Å; M287-F886 HydrophobicContact CE-CZ 4.18Å; M287-F886 HydrophobicContact CG-CD2 4.37Å; M287-F886 HydrophobicContact CG-CE2 4.32Å; M287-F886 HydrophobicContact SD-CD2 3.74Å; M287-F886 HydrophobicContact SD-CE1 4.21Å; M287-F886 HydrophobicContact SD-CE2 3.21Å; M287-F886 WeakPolarHBondContact SD-CE2 3.47Å; M287-F886 HydrophobicContact SD-CG 4.45Å; M287-F886 HydrophobicContact SD-CZ 3.48Å; M287-F886 WeakPolarHBondContact SD-CZ 3.28Å; L291-F886 HydrophobicContact CD1-CD2 3.83Å; L291-F886 HydrophobicContact CD1-CE2 4.35Å; L291-F886 HydrophobicContact CD2-CD2 3.94Å; L291-F886 HydrophobicContact CD2-CE2 3.91Å; L291-F886 HydrophobicContact CG-CD2 3.97Å; L291-F886 HydrophobicContact CG-CE2 3.98Å; L883-F886 HydrophobicContact CD2-CB 4.45Å; L883-F886 WeakPolarHBondContact O-CB 3.15Å; L883-F886 PolarHBondContact O-N 3.16Å; V884-F886 VanDerWaalsContact C-N 3.31Å; V884-F886 PolarHBondContact O-N 3.39Å; F886-Y888 PolarHBondContact O-N 3.12Å; F886-G889 PolarHBondContact O-N 3.03Å; F886-F890 HydrophobicContact CD1-CE2 4.09Å; F886-F890 AromaticContact CE1-CE2 3.62Å; F886-F890 HydrophobicContact CE1-CE2 3.62Å; F886-F890 HydrophobicContact CE1-CZ 4.02Å; F886-F890 HydrophobicContact CE2-CE2 4.39Å; F886-F890 HydrophobicContact CE2-CZ 4.39Å; F886-F890 AromaticContact CZ-CE2 3.77Å; F886-F890 HydrophobicContact CZ-CE2 3.77Å; F886-F890 AromaticContact CZ-CZ 3.74Å; F886-F890 HydrophobicContact CZ-CZ 3.74Å; F886-F890 WeakPolarHBondContact O-CD2 3.5Å |
| 887 | W | 92.5 | Very high | 89.9 | Confident | 36 Ų | 36 | 23.8 Ų | 23.8 | 14% | 0.136 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 176.9 | -57.8 | 124.8 | 0 | 0 | 0 | 112.6 | L883 V884 G889 F890 F891 M961 S964 F965 F968 | L883-W887 PolarHBondContact O-N 3.14Å; V884-W887 PolarHBondContact O-N 3.12Å; W887-G889 VanDerWaalsContact C-N 3.27Å; W887-G889 PolarHBondContact O-N 3.28Å; W887-F890 HydrophobicContact CE3-CD2 4.43Å; W887-F890 HydrophobicContact CE3-CE2 4.12Å; W887-F890 HydrophobicContact CZ3-CE2 4.42Å; W887-F890 WeakPolarHBondContact O-CD2 3.11Å; W887-F890 PolarHBondContact O-N 3.33Å; W887-F891 WeakPolarHBondContact O-CD2 3.48Å; W887-M961 HydrophobicContact CH2-CE 3.67Å; W887-M961 HydrophobicContact CZ2-CE 3.69Å; W887-M961 HydrophobicContact CZ2-CG 4.16Å; W887-S964 PolarHBondContact NE1-OG 3.46Å; W887-F965 HydrophobicContact CD2-CD2 4.37Å; W887-F965 HydrophobicContact CH2-CD2 4.33Å; W887-F965 HydrophobicContact CZ2-CB 4.42Å; W887-F965 HydrophobicContact CZ2-CD2 4.13Å; W887-F968 HydrophobicContact CB-CB 4.24Å; W887-F968 HydrophobicContact CB-CD1 3.86Å; W887-F968 HydrophobicContact CB-CE1 4.41Å; W887-F968 HydrophobicContact CB-CG 3.92Å |
| 888 | Y | 91.1 | Very high | 89.7 | Confident | 29 Ų | 29 | 24.7 Ų | 24.7 | 11% | 0.114 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.6 | -29.6 | 176.5 | -176.2 | -120.9 | 0 | 0 | 0 | 113.5 | V884 F886 F890 F891 C892 Q897 V899 F968 Q989 | V884-Y888 WeakPolarHBondContact O-CB 3.35Å; V884-Y888 PolarHBondContact O-N 3.45Å; F886-Y888 PolarHBondContact O-N 3.12Å; Y888-F890 PolarHBondContact O-N 3.09Å; Y888-F890 VanDerWaalsContact O-N 3.13Å; Y888-F891 PolarHBondContact O-N 3.16Å; Y888-C892 HydrophobicContact CD1-CB 4.23Å; Y888-C892 HydrophobicContact CE1-CB 3.84Å; Y888-C892 HydrophobicContact CE2-CB 4.49Å; Y888-C892 PolarHBondContact O-N 3.38Å; Y888-C892 VanDerWaalsContact O-N 3.08Å; Y888-C892 PolarHBondContact O-SG 3.12Å; Y888-Q897 WeakPolarHBondContact CD1-O 3.45Å; Y888-Q897 HydrophobicContact CE1-CB 4.01Å; Y888-Q897 HydrophobicContact CE1-CG 4.02Å; Y888-Q897 WeakPolarHBondContact CE1-O 3.39Å; Y888-V899 HydrophobicContact CD1-CB 4.44Å; Y888-V899 HydrophobicContact CD1-CG2 3.27Å; Y888-V899 HydrophobicContact CD2-CG2 4.09Å; Y888-V899 HydrophobicContact CE1-CG2 4.06Å; Y888-V899 HydrophobicContact CG-CG2 3.26Å; Y888-F968 AromaticContact CD2-CE2 3.74Å; Y888-F968 HydrophobicContact CD2-CE2 3.74Å; Y888-F968 HydrophobicContact CD2-CZ 4.05Å; Y888-F968 HydrophobicContact CG-CE2 4.24Å; Y888-Q989 PolarHBondContact OH-NE2 3.32Å |
| 889 | G | 89.3 | Confident | 89.6 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -50.5 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | H885 F886 W887 F891 F894 | H885-G889 PolarHBondContact O-N 2.98Å; H885-G889 VanDerWaalsContact O-N 3.07Å; F886-G889 PolarHBondContact O-N 3.03Å; W887-G889 VanDerWaalsContact C-N 3.27Å; W887-G889 PolarHBondContact O-N 3.28Å; G889-F891 VanDerWaalsContact C-N 3.26Å; G889-F891 PolarHBondContact O-N 3.27Å; G889-F894 WeakPolarHBondContact O-CA 3.29Å; G889-F894 PolarHBondContact O-N 2.84Å |
| 890 | F | 90.4 | Very high | 89.4 | Confident | 93 Ų | 93 | 24.8 Ų | 24.8 | 41% | 0.408 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.5 | 178 | -63.4 | -78.7 | 0 | 0 | 0 | 113.9 | F886 W887 Y888 F894 | F886-F890 HydrophobicContact CD1-CE2 4.09Å; F886-F890 AromaticContact CE1-CE2 3.62Å; F886-F890 HydrophobicContact CE1-CE2 3.62Å; F886-F890 HydrophobicContact CE1-CZ 4.02Å; F886-F890 HydrophobicContact CE2-CE2 4.39Å; F886-F890 HydrophobicContact CE2-CZ 4.39Å; F886-F890 AromaticContact CZ-CE2 3.77Å; F886-F890 HydrophobicContact CZ-CE2 3.77Å; F886-F890 AromaticContact CZ-CZ 3.74Å; F886-F890 HydrophobicContact CZ-CZ 3.74Å; F886-F890 WeakPolarHBondContact O-CD2 3.5Å; W887-F890 HydrophobicContact CE3-CD2 4.43Å; W887-F890 HydrophobicContact CE3-CE2 4.12Å; W887-F890 HydrophobicContact CZ3-CE2 4.42Å; W887-F890 WeakPolarHBondContact O-CD2 3.11Å; W887-F890 PolarHBondContact O-N 3.33Å; Y888-F890 PolarHBondContact O-N 3.09Å; Y888-F890 VanDerWaalsContact O-N 3.13Å; F890-F894 AromaticContact CD1-CE1 3.72Å; F890-F894 HydrophobicContact CD1-CE1 3.72Å; F890-F894 AromaticContact CD1-CZ 3.61Å; F890-F894 HydrophobicContact CD1-CZ 3.61Å; F890-F894 AromaticContact CE1-CE1 3.97Å; F890-F894 HydrophobicContact CE1-CE1 3.97Å; F890-F894 HydrophobicContact CE1-CZ 4.09Å; F890-F894 HydrophobicContact CG-CE1 4.32Å; F890-F894 HydrophobicContact CG-CZ 4.41Å |
| 891 | F | 87.8 | Confident | 89.1 | Confident | 88 Ų | 88 | 26.1 Ų | 26.1 | 39% | 0.386 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -19.2 | -176 | -63.6 | -84.6 | 0 | 0 | 0 | 113.3 | W887 Y888 G889 F968 F969 Y972 | W887-F891 WeakPolarHBondContact O-CD2 3.48Å; Y888-F891 PolarHBondContact O-N 3.16Å; G889-F891 VanDerWaalsContact C-N 3.26Å; G889-F891 PolarHBondContact O-N 3.27Å; F891-F968 AromaticContact CD2-CE1 3.5Å; F891-F968 HydrophobicContact CD2-CE1 3.5Å; F891-F968 AromaticContact CD2-CZ 3.57Å; F891-F968 HydrophobicContact CD2-CZ 3.57Å; F891-F968 HydrophobicContact CE2-CD1 4.46Å; F891-F968 AromaticContact CE2-CE1 3.43Å; F891-F968 HydrophobicContact CE2-CE1 3.43Å; F891-F968 VanDerWaalsContact CE2-CE1 3.43Å; F891-F968 HydrophobicContact CE2-CZ 4.01Å; F891-F968 HydrophobicContact CG-CE1 4.45Å; F891-F968 HydrophobicContact CG-CZ 4.26Å; F891-F968 HydrophobicContact CZ-CE1 4.31Å; F891-F969 HydrophobicContact CE2-CE1 4.06Å; F891-F969 HydrophobicContact CE2-CZ 4.12Å; F891-F969 AromaticContact CZ-CE1 3.85Å; F891-F969 HydrophobicContact CZ-CE1 3.85Å; F891-F969 HydrophobicContact CZ-CZ 4.29Å; F891-Y972 HydrophobicContact CD1-CE1 4.11Å; F891-Y972 HydrophobicContact CD1-CE2 4.28Å; F891-Y972 AromaticContact CD1-CZ 3.68Å; F891-Y972 WeakPolarHBondContact CD1-OH 3.31Å; F891-Y972 AromaticContact CE1-CE1 3.78Å; F891-Y972 HydrophobicContact CE1-CE1 3.78Å; F891-Y972 AromaticContact CE1-CZ 3.86Å; F891-Y972 HydrophobicContact CZ-CE1 4.35Å |
| 892 | C | 85.4 | Confident | 88.7 | Confident | 23 Ų | 23 | 29 Ų | 29 | 16% | 0.155 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 17.8 | 177.6 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | Y888 F894 S895 Q897 | Y888-C892 HydrophobicContact CD1-CB 4.23Å; Y888-C892 HydrophobicContact CE1-CB 3.84Å; Y888-C892 HydrophobicContact CE2-CB 4.49Å; Y888-C892 PolarHBondContact O-N 3.38Å; Y888-C892 VanDerWaalsContact O-N 3.08Å; Y888-C892 PolarHBondContact O-SG 3.12Å; C892-F894 PolarHBondContact O-N 2.87Å; C892-S895 WeakPolarHBondContact O-CB 3.42Å; C892-S895 PolarHBondContact O-N 3Å; C892-S895 PolarHBondContact O-OG 3.18Å; C892-Q897 HydrophobicContact CB-CB 4.3Å |
| 893 | G | 84.9 | Confident | 88.4 | Confident | 8 Ų | 8 | 32 Ų | 32 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 24.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S895 | G893-S895 PolarHBondContact O-N 3.36Š|
| 894 | F | 88.1 | Confident | 88.1 | Confident | 28 Ų | 28 | 32.3 Ų | 32.3 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 23.7 | -175.5 | -52.4 | -86.6 | 0 | 0 | 0 | 115.3 | L291 G294 N295 W298 T326 Y330 G889 F890 C892 A896 | L291-F894 HydrophobicContact CB-CD1 4.48Å; L291-F894 HydrophobicContact CD2-CD1 3.81Å; L291-F894 HydrophobicContact CD2-CE1 3.94Å; G294-F894 VanDerWaalsContact C-CD2 3.44Å; N295-F894 HydrophobicContact CB-CB 3.69Å; N295-F894 PolarHBondContact OD1-O 3.05Å; W298-F894 HydrophobicContact CB-CD2 4.16Å; T326-F894 WeakPolarHBondContact CG2-O 3.36Å; Y330-F894 HydrophobicContact CE2-CB 4.49Å; Y330-F894 VanDerWaalsContact CE2-O 3.28Å; Y330-F894 WeakPolarHBondContact CE2-O 3.33Å; Y330-F894 WeakPolarHBondContact OH-CA 2.95Å; Y330-F894 PolarHBondContact OH-O 3.32Å; G889-F894 WeakPolarHBondContact O-CA 3.29Å; G889-F894 PolarHBondContact O-N 2.84Å; F890-F894 AromaticContact CD1-CE1 3.72Å; F890-F894 HydrophobicContact CD1-CE1 3.72Å; F890-F894 AromaticContact CD1-CZ 3.61Å; F890-F894 HydrophobicContact CD1-CZ 3.61Å; F890-F894 AromaticContact CE1-CE1 3.97Å; F890-F894 HydrophobicContact CE1-CE1 3.97Å; F890-F894 HydrophobicContact CE1-CZ 4.09Å; F890-F894 HydrophobicContact CG-CE1 4.32Å; F890-F894 HydrophobicContact CG-CZ 4.41Å; C892-F894 PolarHBondContact O-N 2.87Å; F894-A896 PolarHBondContact O-N 2.74Å; F894-A896 VanDerWaalsContact O-N 3.12Å |
| 895 | S | 84.8 | Confident | 87.8 | Confident | 69 Ų | 69 | 32.8 Ų | 32.8 | 48% | 0.483 | 16% | 0.161 | S | C | . | . | trans | -73 | 3.7 | -177.8 | 56 | 0 | 0 | 0 | 0 | 115.8 | C892 G893 Q897 | C892-S895 WeakPolarHBondContact O-CB 3.42Å; C892-S895 PolarHBondContact O-N 3Å; C892-S895 PolarHBondContact O-OG 3.18Å; G893-S895 PolarHBondContact O-N 3.36Å; S895-Q897 PolarHBondContact O-N 3.15Å | ||
| 896 | A | 86.4 | Confident | 87.4 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | trans | 56.7 | 31.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y330 I333 F894 | Y330-A896 HydrophobicContact CD1-CB 4.12Å; Y330-A896 HydrophobicContact CD2-CB 4.14Å; Y330-A896 HydrophobicContact CE1-CB 3.93Å; Y330-A896 HydrophobicContact CE2-CB 3.94Å; Y330-A896 HydrophobicContact CG-CB 4.22Å; Y330-A896 VanDerWaalsContact CZ-CA 3.46Å; Y330-A896 PolarHBondContact OH-N 3.13Å; I333-A896 HydrophobicContact CD1-CB 3.8Å; I333-A896 WeakPolarHBondContact CD1-O 3.36Å; F894-A896 PolarHBondContact O-N 2.74Å; F894-A896 VanDerWaalsContact O-N 3.12Å | ||
| 897 | Q | 88.2 | Confident | 87.1 | Confident | 93 Ų | 93 | 34.7 Ų | 34.7 | 44% | 0.435 | 17% | 0.173 | S | C | . | . | trans | -68.2 | 135.2 | 170.6 | -176.1 | 63.2 | 28 | 0 | 0 | 111.4 | Y888 C892 S895 | Y888-Q897 WeakPolarHBondContact CD1-O 3.45Å; Y888-Q897 HydrophobicContact CE1-CB 4.01Å; Y888-Q897 HydrophobicContact CE1-CG 4.02Å; Y888-Q897 WeakPolarHBondContact CE1-O 3.39Å; C892-Q897 HydrophobicContact CB-CB 4.3Å; S895-Q897 PolarHBondContact O-N 3.15Å | ||
| 898 | T | 88 | Confident | 86.9 | Confident | 18 Ų | 18 | 33 Ų | 33 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | trans | -75.9 | 140.2 | 176.8 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | L76 I333 Y900 I905 | L76-T898 HydrophobicContact CD2-CG2 3.91Å; I333-T898 HydrophobicContact CD1-CG2 4.25Å; I333-T898 HydrophobicContact CG1-CG2 4.29Å; T898-Y900 PolarHBondContact OG1-O 3.46Å; T898-I905 HydrophobicContact CG2-CD1 4.26Å | ||
| 899 | V | 88.7 | Confident | 86.6 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.036 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -77.6 | -45.1 | 175.4 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | V884 Y888 A993 I996 | V884-V899 HydrophobicContact CG1-CB 4.49Å; V884-V899 HydrophobicContact CG1-CG1 4.07Å; V884-V899 HydrophobicContact CG1-CG2 4.33Å; Y888-V899 HydrophobicContact CD1-CB 4.44Å; Y888-V899 HydrophobicContact CD1-CG2 3.27Å; Y888-V899 HydrophobicContact CD2-CG2 4.09Å; Y888-V899 HydrophobicContact CE1-CG2 4.06Å; Y888-V899 HydrophobicContact CG-CG2 3.26Å; V899-A993 WeakPolarHBondContact O-CB 3.33Å; V899-I996 HydrophobicContact CG1-CD1 4.34Å |
| 900 | Y | 88.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -92.2 | 159.9 | -178.6 | -55.4 | -64.7 | 0 | 0 | 0 | 111.4 | F881 V884 H885 T898 F904 I996 A997 | F881-Y900 HydrophobicContact CD2-CD2 4.05Å; F881-Y900 AromaticContact CD2-CE2 3.56Å; F881-Y900 HydrophobicContact CD2-CE2 3.56Å; F881-Y900 AromaticContact CE2-CD2 3.43Å; F881-Y900 HydrophobicContact CE2-CD2 3.43Å; F881-Y900 VanDerWaalsContact CE2-CD2 3.43Å; F881-Y900 AromaticContact CE2-CE2 3.45Å; F881-Y900 HydrophobicContact CE2-CE2 3.45Å; F881-Y900 VanDerWaalsContact CE2-CE2 3.45Å; F881-Y900 HydrophobicContact CE2-CG 4.3Å; F881-Y900 HydrophobicContact CZ-CD2 4.25Å; F881-Y900 HydrophobicContact CZ-CE2 4.48Å; V884-Y900 HydrophobicContact CB-CE2 4.41Å; V884-Y900 HydrophobicContact CG1-CE2 4.5Å; H885-Y900 AromaticContact CE1-CD2 3.36Å; H885-Y900 WeakPolarHBondContact CE1-CD2 3.42Å; H885-Y900 AromaticContact CE1-CE2 3.65Å; H885-Y900 AromaticContact NE2-CD2 3.62Å; T898-Y900 PolarHBondContact OG1-O 3.46Å; Y900-F904 AromaticContact CD1-CD1 3.84Å; Y900-F904 HydrophobicContact CD1-CD1 3.84Å; Y900-F904 AromaticContact CD1-CE1 3.81Å; Y900-F904 HydrophobicContact CD1-CE1 3.81Å; Y900-F904 HydrophobicContact CD2-CD1 4.29Å; Y900-F904 HydrophobicContact CD2-CE1 4.35Å; Y900-F904 HydrophobicContact CE1-CE1 4.07Å; Y900-F904 AromaticContact CG-CD1 3.68Å; Y900-F904 HydrophobicContact CG-CD1 3.68Å; Y900-F904 AromaticContact CG-CE1 3.95Å; Y900-F904 HydrophobicContact CG-CE1 3.95Å; Y900-I996 HydrophobicContact CE1-CB 4.23Å; Y900-I996 HydrophobicContact CE1-CG2 3.67Å; Y900-I996 WeakPolarHBondContact OH-CG2 3.16Å; Y900-A997 HydrophobicContact CD1-CB 3.96Å; Y900-A997 HydrophobicContact CE1-CB 4.19Å |
| 901 | D | 86 | Confident | 86.1 | Confident | 27 Ų | 27 | 33 Ų | 33 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | trans | -61.2 | 145.5 | 166.2 | 176.4 | 52.5 | 0 | 0 | 0 | 111.3 | W903 F904 I905 F1052 | D901-W903 VanDerWaalsContact C-N 3.27Å; D901-W903 PolarHBondContact O-N 3.16Å; D901-W903 WeakPolarHBondContact OD2-CB 3.35Å; D901-W903 PolarHBondContact OD2-N 3.13Å; D901-F904 HydrophobicContact CB-CB 4.29Å; D901-F904 WeakPolarHBondContact O-CB 3.49Å; D901-F904 PolarHBondContact O-N 3.35Å; D901-I905 PolarHBondContact O-N 3.36Å; D901-I905 VanDerWaalsContact O-N 3.1Å; D901-F1052 HydrophobicContact CB-CD2 4.4Å; D901-F1052 HydrophobicContact CB-CE2 4.04Å; D901-F1052 HydrophobicContact CB-CZ 4.32Å | ||
| 902 | Q | 83.3 | Confident | 86.1 | Confident | 62 Ų | 62 | 29 Ų | 29 | 29% | 0.29 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.6 | -39.2 | -175.1 | -67.4 | -178.6 | -11.4 | 0 | 0 | 111.8 | L76 S77 I905 T906 | L76-Q902 HydrophobicContact CD2-CG 4.46Å; S77-Q902 PolarHBondContact OG-OE1 3.31Å; Q902-I905 PolarHBondContact O-N 2.9Å; Q902-T906 PolarHBondContact O-N 3.1Å |
| 903 | W | 84.1 | Confident | 86.3 | Confident | 62 Ų | 62 | 28.1 Ų | 28.1 | 24% | 0.235 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.2 | -36.7 | 177.1 | -70.3 | 106.2 | 0 | 0 | 0 | 112.4 | F79 D901 I905 T906 L907 M1037 N1049 F1050 | F79-W903 HydrophobicContact CD2-CH2 4.49Å; F79-W903 AromaticContact CE2-CH2 3.94Å; F79-W903 HydrophobicContact CE2-CH2 3.94Å; F79-W903 HydrophobicContact CE2-CZ2 4.16Å; F79-W903 HydrophobicContact CE2-CZ3 4.13Å; F79-W903 HydrophobicContact CZ-CH2 4.44Å; F79-W903 HydrophobicContact CZ-CZ2 4.25Å; D901-W903 VanDerWaalsContact C-N 3.27Å; D901-W903 PolarHBondContact O-N 3.16Å; D901-W903 WeakPolarHBondContact OD2-CB 3.35Å; D901-W903 PolarHBondContact OD2-N 3.13Å; W903-I905 VanDerWaalsContact C-N 3.3Å; W903-I905 PolarHBondContact O-N 3.33Å; W903-T906 PolarHBondContact O-N 3.16Å; W903-T906 PolarHBondContact O-OG1 3.21Å; W903-L907 WeakPolarHBondContact O-CB 3.43Å; W903-L907 WeakPolarHBondContact O-CG 3.28Å; W903-L907 PolarHBondContact O-N 3.25Å; W903-M1037 HydrophobicContact CB-CE 3.23Å; W903-M1037 HydrophobicContact CB-SD 4.05Å; W903-M1037 HydrophobicContact CD2-CE 3.45Å; W903-M1037 VanDerWaalsContact CD2-CE 3.45Å; W903-M1037 HydrophobicContact CE3-CE 3.99Å; W903-M1037 HydrophobicContact CG-CE 3.1Å; W903-M1037 HydrophobicContact CG-SD 4.46Å; W903-N1049 PolarHBondContact NE1-O 3.23Å; W903-F1050 AromaticContact CD1-CE1 3.89Å; W903-F1050 HydrophobicContact CZ2-CZ 4.43Å; W903-F1050 AromaticContact NE1-CE1 3.56Å; W903-F1050 AromaticContact NE1-CZ 3.95Å |
| 904 | F | 87.4 | Confident | 86.5 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 5% | 0.048 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.4 | -44.2 | 174.1 | -177.5 | -92.3 | 0 | 0 | 0 | 111.4 | F881 Y900 D901 T906 L907 F908 Y912 A997 L1000 V1001 Y1030 | F881-F904 HydrophobicContact CD2-CE1 4.27Å; F881-F904 HydrophobicContact CE2-CD1 4.18Å; F881-F904 AromaticContact CE2-CE1 3.89Å; F881-F904 HydrophobicContact CE2-CE1 3.89Å; Y900-F904 AromaticContact CD1-CD1 3.84Å; Y900-F904 HydrophobicContact CD1-CD1 3.84Å; Y900-F904 AromaticContact CD1-CE1 3.81Å; Y900-F904 HydrophobicContact CD1-CE1 3.81Å; Y900-F904 HydrophobicContact CD2-CD1 4.29Å; Y900-F904 HydrophobicContact CD2-CE1 4.35Å; Y900-F904 HydrophobicContact CE1-CE1 4.07Å; Y900-F904 AromaticContact CG-CD1 3.68Å; Y900-F904 HydrophobicContact CG-CD1 3.68Å; Y900-F904 AromaticContact CG-CE1 3.95Å; Y900-F904 HydrophobicContact CG-CE1 3.95Å; D901-F904 HydrophobicContact CB-CB 4.29Å; D901-F904 WeakPolarHBondContact O-CB 3.49Å; D901-F904 PolarHBondContact O-N 3.35Å; F904-T906 VanDerWaalsContact C-N 3.3Å; F904-T906 PolarHBondContact O-N 3.05Å; F904-L907 PolarHBondContact O-N 3.39Å; F904-F908 HydrophobicContact CE1-CD2 4.17Å; F904-F908 AromaticContact CZ-CD2 3.88Å; F904-F908 HydrophobicContact CZ-CD2 3.88Å; F904-F908 VanDerWaalsContact O-CB 3.27Å; F904-F908 WeakPolarHBondContact O-CB 3.25Å; F904-F908 PolarHBondContact O-N 2.89Å; F904-Y912 HydrophobicContact CD2-CD2 4.08Å; F904-Y912 AromaticContact CD2-CE2 3.61Å; F904-Y912 HydrophobicContact CD2-CE2 3.61Å; F904-Y912 AromaticContact CE2-CD2 3.97Å; F904-Y912 HydrophobicContact CE2-CD2 3.97Å; F904-Y912 AromaticContact CE2-CE2 3.97Å; F904-Y912 HydrophobicContact CE2-CE2 3.97Å; F904-Y912 HydrophobicContact CG-CE2 4.4Å; F904-A997 HydrophobicContact CD1-CB 4.31Å; F904-A997 HydrophobicContact CD2-CB 3.97Å; F904-A997 HydrophobicContact CE1-CB 4Å; F904-A997 HydrophobicContact CE2-CB 3.67Å; F904-A997 HydrophobicContact CG-CB 4.28Å; F904-A997 HydrophobicContact CZ-CB 3.68Å; F904-L1000 HydrophobicContact CE1-CD2 4.24Å; F904-L1000 HydrophobicContact CZ-CD2 4.29Å; F904-V1001 HydrophobicContact CE2-CG2 3.84Å; F904-V1001 HydrophobicContact CZ-CG2 3.91Å; F904-Y1030 AromaticContact CD2-CE2 4Å; F904-Y1030 HydrophobicContact CD2-CE2 4Å; F904-Y1030 HydrophobicContact CE2-CD2 4.44Å; F904-Y1030 AromaticContact CE2-CE2 3.64Å; F904-Y1030 HydrophobicContact CE2-CE2 3.64Å |
| 905 | I | 85.7 | Confident | 86.6 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.2 | -44 | 177.4 | -63.4 | 171.2 | 0 | 0 | 0 | 111.1 | L76 T336 F881 T898 D901 Q902 W903 | L76-I905 HydrophobicContact CD2-CD1 3.83Å; T336-I905 HydrophobicContact CG2-CG2 4.04Å; F881-I905 HydrophobicContact CZ-CB 4.25Å; F881-I905 HydrophobicContact CZ-CG1 4.13Å; F881-I905 HydrophobicContact CZ-CG2 4.12Å; T898-I905 HydrophobicContact CG2-CD1 4.26Å; D901-I905 PolarHBondContact O-N 3.36Å; D901-I905 VanDerWaalsContact O-N 3.1Å; Q902-I905 PolarHBondContact O-N 2.9Å; W903-I905 VanDerWaalsContact C-N 3.3Å; W903-I905 PolarHBondContact O-N 3.33Å |
| 906 | T | 82.4 | Confident | 86.9 | Confident | 20 Ų | 20 | 28.2 Ų | 28.2 | 12% | 0.123 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.9 | -43.6 | 179.5 | 60.6 | 0 | 0 | 0 | 0 | 113.7 | T80 Q902 W903 F904 I910 | T80-T906 HydrophobicContact CG2-CG2 3.39Å; Q902-T906 PolarHBondContact O-N 3.1Å; W903-T906 PolarHBondContact O-N 3.16Å; W903-T906 PolarHBondContact O-OG1 3.21Å; F904-T906 VanDerWaalsContact C-N 3.3Å; F904-T906 PolarHBondContact O-N 3.05Å; T906-I910 WeakPolarHBondContact O-CD1 3.17Å |
| 907 | L | 86.6 | Confident | 87.2 | Confident | 35 Ų | 35 | 28 Ų | 28 | 18% | 0.183 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -82.7 | -20.2 | -171.6 | -65.5 | 175.9 | 0 | 0 | 0 | 112.9 | W903 F904 N909 I910 V911 Y912 I1033 M1037 | W903-L907 WeakPolarHBondContact O-CB 3.43Å; W903-L907 WeakPolarHBondContact O-CG 3.28Å; W903-L907 PolarHBondContact O-N 3.25Å; F904-L907 PolarHBondContact O-N 3.39Å; L907-N909 PolarHBondContact O-N 3.31Å; L907-I910 PolarHBondContact O-N 3.3Å; L907-V911 HydrophobicContact CD2-CG2 3.84Å; L907-V911 PolarHBondContact O-N 3.42Å; L907-Y912 HydrophobicContact CB-CD2 4.22Å; L907-Y912 HydrophobicContact CB-CE1 4.02Å; L907-Y912 HydrophobicContact CB-CE2 3.63Å; L907-Y912 HydrophobicContact CD1-CE1 4.47Å; L907-Y912 WeakPolarHBondContact CD1-OH 3.45Å; L907-Y912 PolarHBondContact O-N 3.02Å; L907-I1033 HydrophobicContact CD1-CG2 4.06Å; L907-M1037 HydrophobicContact CD1-CE 4.3Å; L907-M1037 HydrophobicContact CD1-SD 4.07Å |
| 908 | F | 87.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -53 | -50.5 | -178.8 | 179.4 | -103.6 | 0 | 0 | 0 | 112.9 | F881 F904 Y912 T913 L1000 V1001 | F881-F908 HydrophobicContact CB-CD1 4.17Å; F881-F908 HydrophobicContact CB-CE1 3.55Å; F881-F908 HydrophobicContact CB-CZ 3.89Å; F881-F908 AromaticContact CD1-CD1 3.86Å; F881-F908 HydrophobicContact CD1-CD1 3.86Å; F881-F908 HydrophobicContact CD1-CE1 4.06Å; F881-F908 HydrophobicContact CD2-CD1 4.06Å; F881-F908 HydrophobicContact CD2-CE1 4.21Å; F881-F908 HydrophobicContact CD2-CG 4.23Å; F881-F908 HydrophobicContact CE1-CD1 4.27Å; F881-F908 HydrophobicContact CE2-CD1 4.43Å; F881-F908 HydrophobicContact CE2-CG 4.37Å; F881-F908 AromaticContact CG-CD1 3.74Å; F881-F908 HydrophobicContact CG-CD1 3.74Å; F881-F908 AromaticContact CG-CE1 3.67Å; F881-F908 HydrophobicContact CG-CE1 3.67Å; F881-F908 HydrophobicContact CG-CG 4.38Å; F881-F908 HydrophobicContact CG-CZ 4.25Å; F904-F908 HydrophobicContact CE1-CD2 4.17Å; F904-F908 AromaticContact CZ-CD2 3.88Å; F904-F908 HydrophobicContact CZ-CD2 3.88Å; F904-F908 VanDerWaalsContact O-CB 3.27Å; F904-F908 WeakPolarHBondContact O-CB 3.25Å; F904-F908 PolarHBondContact O-N 2.89Å; F908-Y912 HydrophobicContact CB-CD2 4.41Å; F908-T913 HydrophobicContact CD2-CG2 4.11Å; F908-T913 HydrophobicContact CE2-CG2 3.65Å; F908-T913 HydrophobicContact CZ-CG2 3.89Å; F908-T913 PolarHBondContact O-N 3.2Å; F908-T913 VanDerWaalsContact O-N 3.14Å; F908-T913 PolarHBondContact O-OG1 3.37Å; F908-L1000 HydrophobicContact CD2-CD2 4.28Å; F908-L1000 HydrophobicContact CE2-CD2 3.68Å; F908-L1000 HydrophobicContact CE2-CG 3.98Å; F908-L1000 HydrophobicContact CZ-CD2 3.96Å; F908-L1000 HydrophobicContact CZ-CG 4.25Å; F908-V1001 HydrophobicContact CD2-CG2 4.47Å; F908-V1001 HydrophobicContact CE2-CG2 4.43Å |
| 909 | N | 84.3 | Confident | 87.5 | Confident | 15 Ų | 15 | 24.2 Ų | 24.2 | 8% | 0.08 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -86.5 | -18.5 | -175.4 | -89.8 | -28.2 | 0 | 0 | 0 | 114.3 | K877 N878 L907 | K877-N909 PolarHBondContact NZ-OD1 3.16Å; N878-N909 PolarHBondContact OD1-ND2 2.97Å; N878-N909 PolarHBondContact OD1-OD1 2.79Å; L907-N909 PolarHBondContact O-N 3.31Å |
| 910 | I | 82.6 | Confident | 87.7 | Confident | 63 Ų | 63 | 24.1 Ų | 24.1 | 32% | 0.323 | 12% | 0.124 | S | C | . | . | I | π-helix | trans | -99.7 | -38.3 | -174.4 | -58 | 172.1 | 0 | 0 | 0 | 111.6 | P84 T906 L907 S914 | P84-I910 HydrophobicContact CB-CD1 4.43Å; P84-I910 HydrophobicContact CG-CD1 3.86Å; T906-I910 WeakPolarHBondContact O-CD1 3.17Å; L907-I910 PolarHBondContact O-N 3.3Å; I910-S914 WeakPolarHBondContact O-CB 3.13Å; I910-S914 PolarHBondContact O-OG 2.91Å |
| 911 | V | 86.3 | Confident | 87.8 | Confident | 45 Ų | 45 | 24 Ų | 24 | 27% | 0.273 | 12% | 0.124 | S | C | . | . | I | π-helix | trans | -118.7 | -58.2 | -172.1 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | L907 T913 S914 V1029 I1033 | L907-V911 HydrophobicContact CD2-CG2 3.84Å; L907-V911 PolarHBondContact O-N 3.42Å; V911-T913 VanDerWaalsContact C-N 3.33Å; V911-T913 PolarHBondContact O-N 3.14Å; V911-S914 PolarHBondContact O-OG 3.12Å; V911-V1029 HydrophobicContact CG1-CG1 3.97Å; V911-I1033 HydrophobicContact CG1-CD1 4.11Å |
| 912 | Y | 89.6 | Confident | 88.1 | Confident | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -69.1 | -26.9 | -166.6 | -54.1 | -31.1 | 0 | 0 | 0 | 114.6 | F904 L907 F908 S1026 Y1030 I1033 | F904-Y912 HydrophobicContact CD2-CD2 4.08Å; F904-Y912 AromaticContact CD2-CE2 3.61Å; F904-Y912 HydrophobicContact CD2-CE2 3.61Å; F904-Y912 AromaticContact CE2-CD2 3.97Å; F904-Y912 HydrophobicContact CE2-CD2 3.97Å; F904-Y912 AromaticContact CE2-CE2 3.97Å; F904-Y912 HydrophobicContact CE2-CE2 3.97Å; F904-Y912 HydrophobicContact CG-CE2 4.4Å; L907-Y912 HydrophobicContact CB-CD2 4.22Å; L907-Y912 HydrophobicContact CB-CE1 4.02Å; L907-Y912 HydrophobicContact CB-CE2 3.63Å; L907-Y912 HydrophobicContact CD1-CE1 4.47Å; L907-Y912 WeakPolarHBondContact CD1-OH 3.45Å; L907-Y912 PolarHBondContact O-N 3.02Å; F908-Y912 HydrophobicContact CB-CD2 4.41Å; Y912-S1026 VanDerWaalsContact C-OG 3.27Å; Y912-S1026 PolarHBondContact O-OG 3.21Å; Y912-Y1030 HydrophobicContact CD1-CD2 4.03Å; Y912-Y1030 AromaticContact CD2-CD2 3.92Å; Y912-Y1030 HydrophobicContact CD2-CD2 3.92Å; Y912-Y1030 HydrophobicContact CD2-CE2 4.42Å; Y912-Y1030 HydrophobicContact CE1-CD2 4.05Å; Y912-Y1030 AromaticContact CE2-CD2 3.96Å; Y912-Y1030 HydrophobicContact CE2-CD2 3.96Å; Y912-Y1030 HydrophobicContact CE2-CE2 4.28Å; Y912-Y1030 AromaticContact CG-CD2 3.98Å; Y912-Y1030 HydrophobicContact CG-CD2 3.98Å; Y912-I1033 HydrophobicContact CE1-CB 4.23Å; Y912-I1033 HydrophobicContact CE1-CD1 3.91Å; Y912-I1033 HydrophobicContact CE1-CG2 4.19Å; Y912-I1033 VanDerWaalsContact OH-CG2 3.24Å; Y912-I1033 WeakPolarHBondContact OH-CG2 3.38Å |
| 913 | T | 89.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.025 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 2.6 | -177 | 64.2 | 0 | 0 | 0 | 0 | 113.8 | K877 F908 V911 V917 V1004 | K877-T913 PolarHBondContact NZ-OG1 3.43Å; F908-T913 HydrophobicContact CD2-CG2 4.11Å; F908-T913 HydrophobicContact CE2-CG2 3.65Å; F908-T913 HydrophobicContact CZ-CG2 3.89Å; F908-T913 PolarHBondContact O-N 3.2Å; F908-T913 VanDerWaalsContact O-N 3.14Å; F908-T913 PolarHBondContact O-OG1 3.37Å; V911-T913 VanDerWaalsContact C-N 3.33Å; V911-T913 PolarHBondContact O-N 3.14Å; T913-V917 WeakPolarHBondContact O-CB 3.45Å; T913-V917 WeakPolarHBondContact O-CG2 3.39Å; T913-V1004 HydrophobicContact CG2-CG1 4.09Å |
| 914 | S | 87.8 | Confident | 88.9 | Confident | 20 Ų | 20 | 20.9 Ų | 20.9 | 14% | 0.14 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -76.7 | -49.6 | -175 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | I910 V911 V917 L918 | I910-S914 WeakPolarHBondContact O-CB 3.13Å; I910-S914 PolarHBondContact O-OG 2.91Å; V911-S914 PolarHBondContact O-OG 3.12Å; S914-V917 PolarHBondContact O-N 2.95Å; S914-L918 VanDerWaalsContact O-CG 3.32Å; S914-L918 WeakPolarHBondContact O-CG 3.43Å; S914-L918 PolarHBondContact O-N 3.36Å |
| 915 | L | 90.3 | Very high | 89.1 | Confident | 81 Ų | 81 | 22.8 Ų | 22.8 | 42% | 0.424 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -63.5 | -46.8 | -175.8 | -64.4 | 177 | 0 | 0 | 0 | 113.4 | V917 L918 A919 F1022 | L915-V917 VanDerWaalsContact C-N 3.27Å; L915-V917 PolarHBondContact O-N 2.92Å; L915-L918 PolarHBondContact O-N 3.25Å; L915-A919 WeakPolarHBondContact O-CB 3.41Å; L915-A919 PolarHBondContact O-N 3.01Å; L915-F1022 HydrophobicContact CB-CB 4.29Å; L915-F1022 HydrophobicContact CB-CD2 4.43Å; L915-F1022 HydrophobicContact CB-CG 4.32Å |
| 916 | P | 91.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 22.8 Ų | 22.8 | 4% | 0.039 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -52.5 | -44.8 | 173.2 | -34.2 | 41.4 | 0 | 0 | 0 | 114 | A919 M920 I1008 M1023 | P916-A919 VanDerWaalsContact O-CB 3.29Å; P916-A919 WeakPolarHBondContact O-CB 3.28Å; P916-A919 PolarHBondContact O-N 3.29Å; P916-M920 PolarHBondContact O-N 3.06Å; P916-I1008 VanDerWaalsContact C-CD1 3.5Å; P916-I1008 HydrophobicContact CB-CD1 3.87Å; P916-I1008 HydrophobicContact CB-CG2 4.49Å; P916-I1008 WeakPolarHBondContact O-CD1 3.32Å; P916-M1023 HydrophobicContact CB-SD 3.57Å; P916-M1023 VanDerWaalsContact CB-SD 3.57Å; P916-M1023 HydrophobicContact CG-SD 4.07Å |
| 917 | V | 91.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.2 | -39 | -176.7 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | F870 Y873 F874 K877 T913 S914 L915 A919 M920 G921 I1008 | F870-V917 HydrophobicContact CD2-CG1 3.28Å; F870-V917 HydrophobicContact CE2-CG1 3.3Å; Y873-V917 HydrophobicContact CD1-CG1 4.49Å; Y873-V917 HydrophobicContact CD1-CG2 3.68Å; Y873-V917 HydrophobicContact CE1-CG2 3.32Å; F874-V917 HydrophobicContact CD2-CG1 4.18Å; K877-V917 HydrophobicContact CD-CG2 4.23Å; T913-V917 WeakPolarHBondContact O-CB 3.45Å; T913-V917 WeakPolarHBondContact O-CG2 3.39Å; S914-V917 PolarHBondContact O-N 2.95Å; L915-V917 VanDerWaalsContact C-N 3.27Å; L915-V917 PolarHBondContact O-N 2.92Å; V917-A919 VanDerWaalsContact C-N 3.33Å; V917-M920 PolarHBondContact O-N 3.14Å; V917-G921 PolarHBondContact O-N 3.44Å; V917-I1008 HydrophobicContact CB-CD1 4.38Å; V917-I1008 HydrophobicContact CG2-CD1 3.81Å |
| 918 | L | 91.6 | Very high | 89.5 | Confident | 30 Ų | 30 | 23.3 Ų | 23.3 | 16% | 0.157 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.8 | -37.2 | 171.9 | -68.5 | 173.8 | 0 | 0 | 0 | 111.5 | V348 L349 S914 L915 G921 L922 | V348-L918 HydrophobicContact CB-CD2 4.39Å; V348-L918 HydrophobicContact CG1-CD2 4.16Å; L349-L918 HydrophobicContact CD2-CD2 3.99Å; L349-L918 HydrophobicContact CG-CD2 4.2Å; S914-L918 VanDerWaalsContact O-CG 3.32Å; S914-L918 WeakPolarHBondContact O-CG 3.43Å; S914-L918 PolarHBondContact O-N 3.36Å; L915-L918 PolarHBondContact O-N 3.25Å; L918-G921 PolarHBondContact O-N 3.05Å; L918-L922 WeakPolarHBondContact O-CB 3.33Å; L918-L922 WeakPolarHBondContact O-CG 3.24Å; L918-L922 PolarHBondContact O-N 2.86Å |
| 919 | A | 92.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.4 | -49.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L915 P916 V917 L922 F923 N1019 F1022 | L915-A919 WeakPolarHBondContact O-CB 3.41Å; L915-A919 PolarHBondContact O-N 3.01Å; P916-A919 VanDerWaalsContact O-CB 3.29Å; P916-A919 WeakPolarHBondContact O-CB 3.28Å; P916-A919 PolarHBondContact O-N 3.29Å; V917-A919 VanDerWaalsContact C-N 3.33Å; A919-L922 PolarHBondContact O-N 2.92Å; A919-F923 PolarHBondContact O-N 3.29Å; A919-N1019 WeakPolarHBondContact CB-OD1 3.32Å; A919-N1019 PolarHBondContact O-OD1 3.47Å; A919-F1022 HydrophobicContact CB-CB 4.17Å; A919-F1022 HydrophobicContact CB-CD2 3.62Å; A919-F1022 HydrophobicContact CB-CG 4.37Å |
| 920 | M | 92.6 | Very high | 89.8 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 175.4 | -173.3 | -137.2 | -156.4 | 0 | 0 | 111 | N869 P916 V917 L922 D924 I1008 D1011 | N869-M920 HydrophobicContact CB-CE 3.7Å; N869-M920 HydrophobicContact CB-SD 4.27Å; P916-M920 PolarHBondContact O-N 3.06Å; V917-M920 PolarHBondContact O-N 3.14Å; M920-L922 VanDerWaalsContact C-N 3.28Å; M920-L922 PolarHBondContact O-N 3.25Å; M920-D924 HydrophobicContact CG-CB 4.49Å; M920-D924 WeakPolarHBondContact O-CB 3.13Å; M920-D924 PolarHBondContact O-N 3.2Å; M920-I1008 HydrophobicContact CB-CD1 4.12Å; M920-I1008 HydrophobicContact CB-CG1 4.41Å; M920-D1011 HydrophobicContact CE-CB 3.97Å |
| 921 | G | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.1 | -19.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L349 H353 R866 V917 L918 | L349-G921 VanDerWaalsContact CD2-C 3.49Å; H353-G921 PolarHBondContact NE2-O 2.9Å; R866-G921 WeakPolarHBondContact CB-O 3.46Å; R866-G921 WeakPolarHBondContact CD-O 3.47Å; V917-G921 PolarHBondContact O-N 3.44Å; L918-G921 PolarHBondContact O-N 3.05Å |
| 922 | L | 92.5 | Very high | 90.1 | Very high | 26 Ų | 26 | 26.9 Ų | 26.9 | 14% | 0.136 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -100.8 | -46.1 | 179.9 | -70.8 | 175.3 | 0 | 0 | 0 | 113.1 | L349 F356 R866 L918 A919 M920 | L349-L922 HydrophobicContact CD2-CD2 3.77Å; L349-L922 HydrophobicContact CD2-CG 3.61Å; F356-L922 HydrophobicContact CE2-CB 4.31Å; F356-L922 HydrophobicContact CE2-CD2 4.35Å; F356-L922 WeakPolarHBondContact CE2-O 3.37Å; R866-L922 VanDerWaalsContact CZ-O 3.24Å; R866-L922 PolarHBondContact NE-O 3.49Å; R866-L922 PolarHBondContact NH1-O 3.13Å; R866-L922 VanDerWaalsContact NH1-O 3.14Å; L918-L922 WeakPolarHBondContact O-CB 3.33Å; L918-L922 WeakPolarHBondContact O-CG 3.24Å; L918-L922 PolarHBondContact O-N 2.86Å; A919-L922 PolarHBondContact O-N 2.92Å; M920-L922 VanDerWaalsContact C-N 3.28Å; M920-L922 PolarHBondContact O-N 3.25Å |
| 923 | F | 92.6 | Very high | 90 | Very high | 58 Ų | 58 | 28.9 Ų | 28.9 | 25% | 0.254 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -106.5 | -7.8 | -165.4 | -59.6 | -70.3 | 0 | 0 | 0 | 114.3 | F356 A919 V1018 | F356-F923 HydrophobicContact CE1-CE1 4.42Å; F356-F923 HydrophobicContact CZ-CD1 4.18Å; F356-F923 AromaticContact CZ-CE1 3.74Å; F356-F923 HydrophobicContact CZ-CE1 3.74Å; F356-F923 HydrophobicContact CZ-CZ 4.4Å; A919-F923 PolarHBondContact O-N 3.29Å; F923-V1018 HydrophobicContact CD2-CB 4.43Å; F923-V1018 HydrophobicContact CD2-CG1 4Å; F923-V1018 HydrophobicContact CE2-CB 4.39Å; F923-V1018 HydrophobicContact CE2-CG1 3.65Å; F923-V1018 HydrophobicContact CZ-CG1 4.26Å |
| 924 | D | 91.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | trans | -69.2 | 143.3 | -178.4 | -164.6 | 28.4 | 0 | 0 | 0 | 112 | R866 M920 H1013 Y1014 | R866-D924 PolarHBondContact NE-O 3.38Å; R866-D924 PolarHBondContact NH2-O 3.27Å; M920-D924 HydrophobicContact CG-CB 4.49Å; M920-D924 WeakPolarHBondContact O-CB 3.13Å; M920-D924 PolarHBondContact O-N 3.2Å; D924-H1013 PolarHBondContact OD1-N 3.37Å; D924-H1013 VanDerWaalsContact OD1-N 3.13Å; D924-H1013 IonicContact OD2-CD2 3.92Å; D924-Y1014 PolarHBondContact OD1-N 3.43Å | ||
| 925 | Q | 90.3 | Very high | 89.8 | Confident | 51 Ų | 51 | 36 Ų | 36 | 24% | 0.238 | 17% | 0.171 | C | C | . | . | trans | -142.1 | 126.1 | -177.6 | -66.5 | 179.3 | 20.5 | 0 | 0 | 109 | W862 Y1014 | W862-Q925 HydrophobicContact CZ2-CG 4.26Å; Q925-Y1014 HydrophobicContact CB-CD1 4.27Å; Q925-Y1014 HydrophobicContact CB-CG 4.25Å; Q925-Y1014 HydrophobicContact CG-CD1 4.4Å; Q925-Y1014 WeakPolarHBondContact O-CB 3.37Å | ||
| 926 | D | 86.9 | Confident | 89.8 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 6% | 0.059 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -77.2 | -47.4 | 177.4 | 67.5 | -32.2 | 0 | 0 | 0 | 111.7 | R861 W862 F865 T1095 | R861-D926 IonicContact CZ-OD1 2.89Å; R861-D926 IonicContact CZ-OD2 3.52Å; R861-D926 IonicContact NH1-OD1 2.79Å; R861-D926 IonicContact NH1-OD2 3.51Å; R861-D926 PolarHBondContact NH1-OD2 2.93Å; R861-D926 IonicContact NH2-OD1 3.7Å; R861-D926 PolarHBondContact NH2-OD1 3.05Å; R861-D926 IonicContact NH2-OD2 3.96Å; R861-D926 PolarHBondContact NH2-OD2 2.67Å; W862-D926 PolarHBondContact NE1-OD1 3.46Å; F865-D926 HydrophobicContact CD1-CB 4.26Å; F865-D926 HydrophobicContact CE1-CB 3.85Å; F865-D926 HydrophobicContact CE2-CB 4.13Å; F865-D926 HydrophobicContact CZ-CB 3.76Å; D926-T1095 HydrophobicContact CB-CG2 4.08Å |
| 927 | V | 88.1 | Confident | 89.6 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -139.7 | 155.4 | 174 | -62 | 0 | 0 | 0 | 0 | 110.7 | W862 N931 L938 T1095 V1098 R1099 | W862-V927 WeakPolarHBondContact CZ2-O 3.34Å; W862-V927 PolarHBondContact NE1-O 3.18Å; W862-V927 VanDerWaalsContact NE1-O 3.16Å; V927-N931 HydrophobicContact CB-CB 4.45Å; V927-L938 HydrophobicContact CG2-CD1 3.91Å; V927-T1095 HydrophobicContact CG1-CG2 4.06Å; V927-V1098 HydrophobicContact CG1-CG1 4.21Å; V927-R1099 HydrophobicContact CG1-CG 3.97Å |
| 928 | N | 89.2 | Confident | 89.5 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 35% | 0.348 | 17% | 0.167 | S | C | . | . | trans | -63 | 155.3 | 177.8 | -65.1 | 23.7 | 0 | 0 | 0 | 112.3 | Q930 N931 S932 Q1102 | N928-Q930 VanDerWaalsContact C-N 3.33Å; N928-Q930 PolarHBondContact O-N 3.47Å; N928-N931 PolarHBondContact O-N 3.44Å; N928-N931 VanDerWaalsContact O-N 3.09Å; N928-S932 PolarHBondContact O-N 3.13Å; N928-Q1102 VanDerWaalsContact CG-NE2 3.3Å; N928-Q1102 PolarHBondContact ND2-NE2 2.73Å; N928-Q1102 PolarHBondContact OD1-NE2 3.44Å; N928-Q1102 VanDerWaalsContact OD1-NE2 3.14Å | ||
| 929 | D | 89 | Confident | 89.6 | Confident | 31 Ų | 31 | 33.3 Ų | 33.3 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.1 | -42.1 | -179.6 | 69.2 | -32.3 | 0 | 0 | 0 | 113.6 | K362 R854 V858 W862 N931 S932 L933 | K362-D929 IonicContact NZ-OD2 3.81Å; K362-D929 PolarHBondContact NZ-OD2 2.92Å; R854-D929 IonicContact CZ-OD2 3.96Å; R854-D929 IonicContact NH1-OD2 2.63Å; R854-D929 PolarHBondContact NH1-OD2 3Å; R854-D929 IonicContact NH2-OD2 2.81Å; V858-D929 HydrophobicContact CG1-CB 3.86Å; V858-D929 HydrophobicContact CG2-CB 4.33Å; W862-D929 HydrophobicContact CH2-CB 3.8Å; W862-D929 HydrophobicContact CZ2-CB 4.18Å; D929-N931 PolarHBondContact O-N 3.13Å; D929-S932 VanDerWaalsContact O-CB 3.27Å; D929-S932 WeakPolarHBondContact O-CB 3.5Å; D929-S932 PolarHBondContact O-N 3.36Å; D929-L933 PolarHBondContact O-N 3.36Å; D929-L933 VanDerWaalsContact O-N 3.16Å |
| 930 | Q | 88.1 | Confident | 89.4 | Confident | 140 Ų | 140 | 36.2 Ų | 36.2 | 65% | 0.654 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -62.9 | -41 | 177.6 | -66.9 | -179.4 | -5 | 0 | 0 | 113 | N928 S932 L933 R934 | N928-Q930 VanDerWaalsContact C-N 3.33Å; N928-Q930 PolarHBondContact O-N 3.47Å; Q930-S932 VanDerWaalsContact C-N 3.33Å; Q930-L933 PolarHBondContact O-N 2.98Å; Q930-R934 WeakPolarHBondContact O-CB 3.24Å; Q930-R934 PolarHBondContact O-N 3.29Å |
| 931 | N | 87.1 | Confident | 89.3 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.5 | -32.9 | 179.1 | -76.3 | -18.5 | 0 | 0 | 0 | 111.3 | V927 N928 D929 L933 R934 Y935 V1098 Q1102 | V927-N931 HydrophobicContact CB-CB 4.45Å; N928-N931 PolarHBondContact O-N 3.44Å; N928-N931 VanDerWaalsContact O-N 3.09Å; D929-N931 PolarHBondContact O-N 3.13Å; N931-L933 VanDerWaalsContact C-N 3.32Å; N931-L933 PolarHBondContact O-N 3.49Å; N931-R934 PolarHBondContact O-N 2.75Å; N931-Y935 PolarHBondContact O-N 3.25Å; N931-V1098 HydrophobicContact CB-CG1 4.38Å; N931-Q1102 VanDerWaalsContact ND2-CD 3.27Å; N931-Q1102 PolarHBondContact ND2-OE1 3.37Å; N931-Q1102 VanDerWaalsContact ND2-OE1 3.13Å |
| 932 | S | 88.3 | Confident | 89.1 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 172.9 | -148.9 | 0 | 0 | 0 | 0 | 111.8 | L857 R861 N928 D929 Q930 Y935 | L857-S932 PolarHBondContact O-OG 2.65Å; R861-S932 PolarHBondContact NE-OG 2.95Å; R861-S932 PolarHBondContact NH2-OG 3.11Å; N928-S932 PolarHBondContact O-N 3.13Å; D929-S932 VanDerWaalsContact O-CB 3.27Å; D929-S932 WeakPolarHBondContact O-CB 3.5Å; D929-S932 PolarHBondContact O-N 3.36Å; Q930-S932 VanDerWaalsContact C-N 3.33Å; S932-Y935 CarbonylContact O-C 3.59Å |
| 933 | L | 87.1 | Confident | 89 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.2 | -34.7 | 176.6 | -68.1 | 172 | 0 | 0 | 0 | 112.7 | Q853 L857 V858 D929 Q930 N931 | Q853-L933 HydrophobicContact CG-CD2 4.03Å; L857-L933 HydrophobicContact CB-CD2 4.24Å; L857-L933 HydrophobicContact CD1-CD2 4.22Å; V858-L933 HydrophobicContact CG2-CD1 4.46Å; V858-L933 HydrophobicContact CG2-CD2 4.12Å; V858-L933 HydrophobicContact CG2-CG 3.98Å; D929-L933 PolarHBondContact O-N 3.36Å; D929-L933 VanDerWaalsContact O-N 3.16Å; Q930-L933 PolarHBondContact O-N 2.98Å; N931-L933 VanDerWaalsContact C-N 3.32Å; N931-L933 PolarHBondContact O-N 3.49Å |
| 934 | R | 86.3 | Confident | 88.7 | Confident | 117 Ų | 117 | 39.1 Ų | 39.1 | 44% | 0.442 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71 | -30.8 | -180 | -172.4 | 172.1 | -175.5 | 164.9 | 4.3 | 113.2 | Q930 N931 P936 | Q930-R934 WeakPolarHBondContact O-CB 3.24Å; Q930-R934 PolarHBondContact O-N 3.29Å; N931-R934 PolarHBondContact O-N 2.75Å; R934-P936 VanDerWaalsContact C-CD 3.49Å; R934-P936 WeakPolarHBondContact O-CD 3.11Å |
| 935 | Y | 88 | Confident | 88.5 | Confident | 58 Ų | 58 | 42.4 Ų | 42.4 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | trans | -121.8 | 76 | 178.5 | -60.3 | -75.8 | 0 | 0 | 0 | 110.7 | N931 S932 S937 L938 V1098 R1105 | N931-Y935 PolarHBondContact O-N 3.25Å; S932-Y935 CarbonylContact O-C 3.59Å; Y935-S937 PolarHBondContact O-N 3.44Å; Y935-S937 VanDerWaalsContact O-N 3.1Å; Y935-L938 WeakPolarHBondContact O-CB 3.42Å; Y935-L938 WeakPolarHBondContact O-CG 3.21Å; Y935-L938 PolarHBondContact O-N 3.12Å; Y935-L938 VanDerWaalsContact O-N 3.14Å; Y935-V1098 HydrophobicContact CD2-CG1 4.02Å; Y935-V1098 HydrophobicContact CD2-CG2 4.16Å; Y935-V1098 HydrophobicContact CE2-CG1 4.32Å; Y935-V1098 HydrophobicContact CG-CG2 4.24Å; Y935-R1105 PolarHBondContact OH-NH1 3.2Å | ||
| 936 | P | 89.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -60.4 | -22.9 | -177.7 | -23.4 | 34 | 0 | 0 | 0 | 114.1 | C662 L665 A666 L857 R934 L938 Y939 | C662-P936 HydrophobicContact CB-CG 4.39Å; C662-P936 VanDerWaalsContact O-CB 3.3Å; C662-P936 WeakPolarHBondContact O-CB 3.41Å; L665-P936 HydrophobicContact CB-CB 4.14Å; L665-P936 HydrophobicContact CB-CG 4.15Å; A666-P936 HydrophobicContact CB-CB 3.82Å; A666-P936 WeakPolarHBondContact CB-O 2.97Å; L857-P936 HydrophobicContact CD1-CB 4.06Å; L857-P936 HydrophobicContact CD1-CG 4.34Å; L857-P936 HydrophobicContact CD2-CB 4.42Å; R934-P936 VanDerWaalsContact C-CD 3.49Å; R934-P936 WeakPolarHBondContact O-CD 3.11Å; P936-L938 PolarHBondContact O-N 3.41Å; P936-Y939 WeakPolarHBondContact O-CB 3.44Å; P936-Y939 PolarHBondContact O-N 3.1Å |
| 937 | S | 87.5 | Confident | 88.3 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 29% | 0.287 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -60.6 | -15.6 | 176.4 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | Y935 Y939 K940 | Y935-S937 PolarHBondContact O-N 3.44Å; Y935-S937 VanDerWaalsContact O-N 3.1Å; S937-Y939 PolarHBondContact O-N 2.98Å; S937-Y939 VanDerWaalsContact O-N 3.15Å; S937-K940 PolarHBondContact O-N 3.31Å |
| 938 | L | 90.1 | Very high | 88.2 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -64.8 | -9.3 | 171.2 | -68 | 175 | 0 | 0 | 0 | 113.5 | R861 V927 Y935 P936 P941 L1094 V1098 | R861-L938 WeakPolarHBondContact CD-O 3.49Å; V927-L938 HydrophobicContact CG2-CD1 3.91Å; Y935-L938 WeakPolarHBondContact O-CB 3.42Å; Y935-L938 WeakPolarHBondContact O-CG 3.21Å; Y935-L938 PolarHBondContact O-N 3.12Å; Y935-L938 VanDerWaalsContact O-N 3.14Å; P936-L938 PolarHBondContact O-N 3.41Å; L938-P941 WeakPolarHBondContact O-CD 3.5Å; L938-L1094 HydrophobicContact CD2-CB 4.07Å; L938-V1098 HydrophobicContact CD1-CG1 4.44Å; L938-V1098 HydrophobicContact CD1-CG2 4.37Å; L938-V1098 HydrophobicContact CD2-CG2 4.25Å |
| 939 | Y | 92.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -80.3 | -26.7 | 177.8 | -165.9 | -95.5 | 0 | 0 | 0 | 113.4 | L383 G384 Q385 V386 I668 L856 L857 R861 P936 S937 G942 Q943 | L383-Y939 PolarHBondContact O-OH 3.49Å; G384-Y939 VanDerWaalsContact C-CZ 3.49Å; Q385-Y939 PolarHBondContact N-OH 3.42Å; V386-Y939 WeakPolarHBondContact CB-OH 3.39Å; V386-Y939 PolarHBondContact N-OH 3.43Å; V386-Y939 WeakPolarHBondContact O-CE1 3.48Å; I668-Y939 HydrophobicContact CD1-CD1 4.12Å; I668-Y939 HydrophobicContact CD1-CE1 3.92Å; I668-Y939 HydrophobicContact CG1-CD1 4.34Å; I668-Y939 HydrophobicContact CG1-CE1 4.22Å; L856-Y939 HydrophobicContact CB-CE2 4.41Å; L857-Y939 HydrophobicContact CD2-CD2 3.9Å; L857-Y939 HydrophobicContact CD2-CG 4.03Å; R861-Y939 HydrophobicContact CB-CD2 4.23Å; P936-Y939 WeakPolarHBondContact O-CB 3.44Å; P936-Y939 PolarHBondContact O-N 3.1Å; S937-Y939 PolarHBondContact O-N 2.98Å; S937-Y939 VanDerWaalsContact O-N 3.15Å; Y939-G942 PolarHBondContact O-N 2.91Å; Y939-Q943 HydrophobicContact CD1-CG 3.91Å; Y939-Q943 HydrophobicContact CE1-CG 3.77Å |
| 940 | K | 89.9 | Confident | 88.2 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 28% | 0.278 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -51 | -41 | -177.4 | -67.1 | -170.6 | 170.6 | -136.5 | 0 | 115.8 | D667 S937 G942 Q943 Q944 | D667-K940 IonicContact OD2-NZ 3.2Å; D667-K940 PolarHBondContact OD2-NZ 3.33Å; S937-K940 PolarHBondContact O-N 3.31Å; K940-G942 PolarHBondContact O-N 3.25Å; K940-G942 VanDerWaalsContact O-N 3.15Å; K940-Q943 PolarHBondContact O-N 2.64Å; K940-Q944 PolarHBondContact O-N 3.1Å; K940-Q944 VanDerWaalsContact O-N 3.14Å |
| 941 | P | 89.3 | Confident | 88.3 | Confident | 33 Ų | 33 | 53 Ų | 53 | 21% | 0.214 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -24.2 | 179 | -23.7 | 35.2 | 0 | 0 | 0 | 114.2 | L938 N945 L946 | L938-P941 WeakPolarHBondContact O-CD 3.5Å; P941-N945 PolarHBondContact O-N 3.04Å; P941-L946 HydrophobicContact CB-CB 4.46Å; P941-L946 HydrophobicContact CB-CD1 4.38Å; P941-L946 PolarHBondContact O-N 3.37Å |
| 942 | G | 88.3 | Confident | 88.4 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.9 | -50.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G384 Y864 Y939 K940 Q944 N945 | G384-G942 WeakPolarHBondContact O-CA 3.45Å; Y864-G942 VanDerWaalsContact CE1-CA 3.49Å; Y939-G942 PolarHBondContact O-N 2.91Å; K940-G942 PolarHBondContact O-N 3.25Å; K940-G942 VanDerWaalsContact O-N 3.15Å; G942-Q944 PolarHBondContact O-N 3.46Å; G942-N945 PolarHBondContact O-N 3.49Å; G942-N945 VanDerWaalsContact O-N 3.12Å |
| 943 | Q | 88.6 | Confident | 88.5 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.3 | -48.3 | 177.2 | -64.4 | 168.9 | -35 | 0 | 0 | 111.4 | V386 E387 A666 D667 Y939 K940 N945 | V386-Q943 PolarHBondContact O-NE2 3.44Å; E387-Q943 HydrophobicContact CG-CB 3.94Å; E387-Q943 HydrophobicContact CG-CG 3.88Å; A666-Q943 PolarHBondContact O-NE2 3.44Å; A666-Q943 PolarHBondContact O-OE1 3.04Å; D667-Q943 PolarHBondContact O-NE2 3.42Å; Y939-Q943 HydrophobicContact CD1-CG 3.91Å; Y939-Q943 HydrophobicContact CE1-CG 3.77Å; K940-Q943 PolarHBondContact O-N 2.64Å; Q943-N945 PolarHBondContact O-N 3.04Å; Q943-N945 VanDerWaalsContact O-N 3.14Å; Q943-N945 PolarHBondContact O-ND2 3.11Å |
| 944 | Q | 87.4 | Confident | 88.7 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 46% | 0.463 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 3.2 | -179.6 | -66 | 179.2 | -12.8 | 0 | 0 | 114.4 | K940 G942 L946 | K940-Q944 PolarHBondContact O-N 3.1Å; K940-Q944 VanDerWaalsContact O-N 3.14Å; G942-Q944 PolarHBondContact O-N 3.46Å; Q944-L946 VanDerWaalsContact C-N 3.28Å; Q944-L946 HydrophobicContact CB-CD1 4.25Å; Q944-L946 HydrophobicContact CB-CD2 4.19Å; Q944-L946 HydrophobicContact CB-CG 3.81Å; Q944-L946 PolarHBondContact O-N 3.24Å |
| 945 | N | 87.3 | Confident | 88.9 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 39.2 | 179.8 | -67.1 | -64.3 | 0 | 0 | 0 | 114.4 | Q385 P941 G942 Q943 | Q385-N945 PolarHBondContact NE2-OD1 3.14Å; P941-N945 PolarHBondContact O-N 3.04Å; G942-N945 PolarHBondContact O-N 3.49Å; G942-N945 VanDerWaalsContact O-N 3.12Å; Q943-N945 PolarHBondContact O-N 3.04Å; Q943-N945 VanDerWaalsContact O-N 3.14Å; Q943-N945 PolarHBondContact O-ND2 3.11Å |
| 946 | L | 86.8 | Confident | 89 | Confident | 95 Ų | 95 | 54.2 Ų | 54.2 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | trans | -78.8 | -28.4 | -174.1 | -62.9 | -179.1 | 0 | 0 | 0 | 113.6 | P941 Q944 | P941-L946 HydrophobicContact CB-CB 4.46Å; P941-L946 HydrophobicContact CB-CD1 4.38Å; P941-L946 PolarHBondContact O-N 3.37Å; Q944-L946 VanDerWaalsContact C-N 3.28Å; Q944-L946 HydrophobicContact CB-CD1 4.25Å; Q944-L946 HydrophobicContact CB-CD2 4.19Å; Q944-L946 HydrophobicContact CB-CG 3.81Å; Q944-L946 PolarHBondContact O-N 3.24Å | ||
| 947 | L | 85.3 | Confident | 89 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -74.1 | -44 | -173.3 | -64 | -176.4 | 0 | 0 | 0 | 113.4 | Y864 F865 C868 | Y864-L947 HydrophobicContact CD1-CD1 3.77Å; Y864-L947 HydrophobicContact CE1-CB 3.94Å; Y864-L947 HydrophobicContact CE1-CD1 3.59Å; Y864-L947 HydrophobicContact CE1-CG 3.92Å; F865-L947 HydrophobicContact CB-CD1 4.26Å; F865-L947 HydrophobicContact CD2-CD1 3.78Å; C868-L947 HydrophobicContact CB-CB 3.82Å |
| 948 | F | 86.4 | Confident | 89.2 | Confident | 9 Ų | 9 | 58.1 Ų | 58.1 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -137.4 | 104.3 | 178.3 | -166.7 | -102.5 | 0 | 0 | 0 | 111 | L272 L276 C868 L871 A872 F875 F953 | L272-F948 HydrophobicContact CD2-CD1 3.62Å; L272-F948 HydrophobicContact CD2-CE1 3.79Å; L276-F948 HydrophobicContact CD1-CE1 3.83Å; L276-F948 HydrophobicContact CD1-CZ 4.02Å; C868-F948 HydrophobicContact CB-CB 3.74Å; C868-F948 WeakPolarHBondContact SG-CB 3.43Å; L871-F948 HydrophobicContact CB-CD2 4.26Å; L871-F948 HydrophobicContact CB-CE1 4.19Å; L871-F948 HydrophobicContact CB-CE2 3.91Å; L871-F948 HydrophobicContact CB-CZ 3.88Å; L871-F948 HydrophobicContact CD1-CD1 4.05Å; L871-F948 HydrophobicContact CD1-CE1 3.99Å; A872-F948 HydrophobicContact CB-CD2 4.25Å; A872-F948 HydrophobicContact CB-CE2 4.26Å; F875-F948 HydrophobicContact CD2-CZ 4.07Å; F875-F948 HydrophobicContact CE2-CZ 4.03Å; F948-F953 HydrophobicContact CZ-CB 4.48Å |
| 949 | N | 88.3 | Confident | 89.3 | Confident | 51 Ų | 51 | 60.8 Ų | 60.8 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | trans | -130.7 | 176.1 | 178.2 | 60.7 | 33.4 | 0 | 0 | 0 | 110.5 | R951 Q952 F953 | N949-R951 PolarHBondContact O-N 2.83Å; N949-R951 WeakPolarHBondContact OD1-CA 3.32Å; N949-R951 WeakPolarHBondContact OD1-CB 3.41Å; N949-R951 PolarHBondContact OD1-N 3.28Å; N949-R951 VanDerWaalsContact OD1-N 3.13Å; N949-Q952 PolarHBondContact O-N 3.21Å; N949-Q952 VanDerWaalsContact O-N 3.16Å; N949-Q952 WeakPolarHBondContact OD1-CB 3.23Å; N949-Q952 PolarHBondContact OD1-N 2.9Å; N949-F953 PolarHBondContact O-N 3.4Å | ||
| 950 | K | 90.3 | Very high | 89.3 | Confident | 108 Ų | 108 | 60.7 Ų | 60.7 | 47% | 0.47 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -55.5 | -38.6 | 178.7 | -66.8 | 169.3 | 174.3 | -178.4 | 0 | 112.1 | L272 W279 F953 F954 | L272-K950 HydrophobicContact CD1-CG 4.06Å; W279-K950 HydrophobicContact CH2-CB 4.29Å; W279-K950 HydrophobicContact CH2-CD 3.78Å; W279-K950 HydrophobicContact CH2-CG 3.99Å; W279-K950 HydrophobicContact CZ3-CB 4.22Å; W279-K950 HydrophobicContact CZ3-CD 4.43Å; W279-K950 HydrophobicContact CZ3-CG 4.14Å; K950-F953 WeakPolarHBondContact O-CB 2.93Å; K950-F953 PolarHBondContact O-N 2.7Å; K950-F954 WeakPolarHBondContact O-CD2 3.27Å; K950-F954 PolarHBondContact O-N 2.97Å; K950-F954 VanDerWaalsContact O-N 3.17Å |
| 951 | R | 90.4 | Very high | 89.4 | Confident | 201 Ų | 201 | 60.7 Ų | 60.7 | 76% | 0.758 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.2 | -45 | 178.4 | 180 | -178 | 176.4 | -179.8 | 0.5 | 111.6 | N949 F953 F954 L955 | N949-R951 PolarHBondContact O-N 2.83Å; N949-R951 WeakPolarHBondContact OD1-CA 3.32Å; N949-R951 WeakPolarHBondContact OD1-CB 3.41Å; N949-R951 PolarHBondContact OD1-N 3.28Å; N949-R951 VanDerWaalsContact OD1-N 3.13Å; R951-F953 VanDerWaalsContact C-N 3.3Å; R951-F953 PolarHBondContact O-N 3.34Å; R951-F954 PolarHBondContact O-N 3.36Å; R951-L955 PolarHBondContact O-N 3.21Å |
| 952 | Q | 88.7 | Confident | 89.6 | Confident | 55 Ų | 55 | 62.8 Ų | 62.8 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 177.7 | -171.9 | 60.6 | 21.5 | 0 | 0 | 110.8 | N949 F954 L955 C956 | N949-Q952 PolarHBondContact O-N 3.21Å; N949-Q952 VanDerWaalsContact O-N 3.16Å; N949-Q952 WeakPolarHBondContact OD1-CB 3.23Å; N949-Q952 PolarHBondContact OD1-N 2.9Å; Q952-F954 PolarHBondContact O-N 3.34Å; Q952-L955 PolarHBondContact O-N 2.93Å; Q952-C956 WeakPolarHBondContact O-CB 3.41Å; Q952-C956 PolarHBondContact O-N 3.04Å; Q952-C956 PolarHBondContact O-SG 3.48Å |
| 953 | F | 90.7 | Very high | 89.9 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 173.2 | 172.4 | -96.5 | 0 | 0 | 0 | 112.5 | L276 I280 F875 F879 F948 N949 K950 R951 L955 C956 T957 | L276-F953 HydrophobicContact CB-CE2 4.5Å; L276-F953 HydrophobicContact CD1-CB 4.34Å; L276-F953 HydrophobicContact CD1-CD2 3.83Å; L276-F953 HydrophobicContact CD1-CE2 4.37Å; L276-F953 HydrophobicContact CD1-CG 4.08Å; L276-F953 HydrophobicContact CD2-CB 4.11Å; L276-F953 HydrophobicContact CD2-CD1 3.67Å; L276-F953 HydrophobicContact CD2-CD2 4.12Å; L276-F953 HydrophobicContact CD2-CE1 4.1Å; L276-F953 HydrophobicContact CD2-CG 3.68Å; L276-F953 HydrophobicContact CD2-CZ 4.5Å; L276-F953 HydrophobicContact CG-CD2 4.43Å; L276-F953 HydrophobicContact CG-CG 4.44Å; I280-F953 HydrophobicContact CD1-CE2 4.12Å; I280-F953 HydrophobicContact CD1-CZ 3.92Å; I280-F953 HydrophobicContact CG1-CZ 3.82Å; F875-F953 HydrophobicContact CB-CE2 4.39Å; F875-F953 AromaticContact CD1-CE2 3.83Å; F875-F953 HydrophobicContact CD1-CE2 3.83Å; F875-F953 AromaticContact CD2-CD2 3.91Å; F875-F953 HydrophobicContact CD2-CD2 3.91Å; F875-F953 HydrophobicContact CD2-CE2 4Å; F875-F953 HydrophobicContact CE1-CE2 4.06Å; F875-F953 HydrophobicContact CE2-CD2 4.22Å; F875-F953 HydrophobicContact CE2-CE2 4.23Å; F875-F953 HydrophobicContact CG-CD2 4.1Å; F875-F953 AromaticContact CG-CE2 3.81Å; F875-F953 HydrophobicContact CG-CE2 3.81Å; F875-F953 HydrophobicContact CZ-CE2 4.25Å; F879-F953 HydrophobicContact CE2-CE2 4.23Å; F879-F953 HydrophobicContact CE2-CZ 4.22Å; F879-F953 HydrophobicContact CZ-CZ 4.24Å; F948-F953 HydrophobicContact CZ-CB 4.48Å; N949-F953 PolarHBondContact O-N 3.4Å; K950-F953 WeakPolarHBondContact O-CB 2.93Å; K950-F953 PolarHBondContact O-N 2.7Å; R951-F953 VanDerWaalsContact C-N 3.3Å; R951-F953 PolarHBondContact O-N 3.34Å; F953-L955 VanDerWaalsContact C-N 3.34Å; F953-L955 PolarHBondContact O-N 3.24Å; F953-C956 PolarHBondContact O-N 3.25Å; F953-T957 WeakPolarHBondContact O-CB 3.05Å; F953-T957 PolarHBondContact O-N 3.29Å; F953-T957 PolarHBondContact O-OG1 3.27Å |
| 954 | F | 91.6 | Very high | 90.2 | Very high | 118 Ų | 118 | 62.2 Ų | 62.2 | 52% | 0.518 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.1 | -77.9 | -68.7 | 0 | 0 | 0 | 112.5 | W279 K950 R951 Q952 T957 L958 | W279-F954 HydrophobicContact CE3-CE2 4.18Å; W279-F954 AromaticContact CE3-CZ 3.92Å; W279-F954 HydrophobicContact CE3-CZ 3.92Å; W279-F954 HydrophobicContact CH2-CE2 4.16Å; W279-F954 HydrophobicContact CH2-CZ 4.42Å; W279-F954 AromaticContact CZ3-CE2 3.51Å; W279-F954 HydrophobicContact CZ3-CE2 3.51Å; W279-F954 AromaticContact CZ3-CZ 3.69Å; W279-F954 HydrophobicContact CZ3-CZ 3.69Å; K950-F954 WeakPolarHBondContact O-CD2 3.27Å; K950-F954 PolarHBondContact O-N 2.97Å; K950-F954 VanDerWaalsContact O-N 3.17Å; R951-F954 PolarHBondContact O-N 3.36Å; Q952-F954 PolarHBondContact O-N 3.34Å; F954-T957 PolarHBondContact O-N 2.89Å; F954-L958 WeakPolarHBondContact O-CB 3.47Å; F954-L958 PolarHBondContact O-N 3.31Å |
| 955 | L | 90.3 | Very high | 90.5 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 177.1 | -167.4 | 136.9 | 0 | 0 | 0 | 111.7 | R951 Q952 F953 T957 L958 Q959 | R951-L955 PolarHBondContact O-N 3.21Å; Q952-L955 PolarHBondContact O-N 2.93Å; F953-L955 VanDerWaalsContact C-N 3.34Å; F953-L955 PolarHBondContact O-N 3.24Å; L955-T957 VanDerWaalsContact C-N 3.35Å; L955-T957 PolarHBondContact O-N 3.02Å; L955-L958 PolarHBondContact O-N 3.48Å; L955-Q959 WeakPolarHBondContact O-CB 3.46Å; L955-Q959 PolarHBondContact O-N 2.93Å |
| 956 | C | 89.7 | Confident | 90.9 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 174 | -66.6 | 0 | 0 | 0 | 0 | 112.2 | Q952 F953 Q959 G960 | Q952-C956 WeakPolarHBondContact O-CB 3.41Å; Q952-C956 PolarHBondContact O-N 3.04Å; Q952-C956 PolarHBondContact O-SG 3.48Å; F953-C956 PolarHBondContact O-N 3.25Å; C956-Q959 PolarHBondContact O-N 3.2Å; C956-G960 PolarHBondContact O-N 2.92Å |
| 957 | T | 89.7 | Confident | 91.2 | Very high | 23 Ų | 23 | 55.6 Ų | 55.6 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 176.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | F879 F953 F954 L955 G960 M961 | F879-T957 HydrophobicContact CD1-CG2 4.13Å; F879-T957 HydrophobicContact CD2-CG2 4.01Å; F879-T957 HydrophobicContact CE1-CG2 3.92Å; F879-T957 HydrophobicContact CE2-CG2 3.81Å; F879-T957 WeakPolarHBondContact CE2-OG1 3.46Å; F879-T957 HydrophobicContact CG-CG2 4.18Å; F879-T957 HydrophobicContact CZ-CG2 3.77Å; F953-T957 WeakPolarHBondContact O-CB 3.05Å; F953-T957 PolarHBondContact O-N 3.29Å; F953-T957 PolarHBondContact O-OG1 3.27Å; F954-T957 PolarHBondContact O-N 2.89Å; L955-T957 VanDerWaalsContact C-N 3.35Å; L955-T957 PolarHBondContact O-N 3.02Å; T957-G960 PolarHBondContact O-N 2.82Å; T957-M961 WeakPolarHBondContact O-CB 3.19Å; T957-M961 PolarHBondContact O-N 3.48Å |
| 958 | L | 92 | Very high | 91.6 | Very high | 109 Ų | 109 | 52.8 Ų | 52.8 | 57% | 0.571 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.5 | -44.3 | 175.8 | -177.8 | 65.5 | 0 | 0 | 0 | 111.5 | F954 L955 G960 M961 V962 | F954-L958 WeakPolarHBondContact O-CB 3.47Å; F954-L958 PolarHBondContact O-N 3.31Å; L955-L958 PolarHBondContact O-N 3.48Å; L958-G960 VanDerWaalsContact C-N 3.33Å; L958-G960 PolarHBondContact O-N 3.32Å; L958-M961 PolarHBondContact O-N 2.91Å; L958-V962 WeakPolarHBondContact O-CG2 3.37Å; L958-V962 PolarHBondContact O-N 2.74Å |
| 959 | Q | 91.6 | Very high | 91.9 | Very high | 63 Ų | 63 | 55.7 Ų | 55.7 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.2 | -170.6 | -174.6 | -17.3 | 0 | 0 | 111.1 | Y876 L955 C956 M961 V962 T963 | Y876-Q959 HydrophobicContact CD2-CB 4.14Å; Y876-Q959 HydrophobicContact CD2-CG 3.92Å; Y876-Q959 HydrophobicContact CE2-CB 4.36Å; Y876-Q959 HydrophobicContact CE2-CG 3.73Å; L955-Q959 WeakPolarHBondContact O-CB 3.46Å; L955-Q959 PolarHBondContact O-N 2.93Å; C956-Q959 PolarHBondContact O-N 3.2Å; Q959-M961 VanDerWaalsContact C-N 3.35Å; Q959-M961 PolarHBondContact O-N 3.29Å; Q959-V962 PolarHBondContact O-N 3.01Å; Q959-T963 PolarHBondContact O-N 3.35Å; Q959-T963 PolarHBondContact O-OG1 2.9Å; Q959-T963 VanDerWaalsContact O-OG1 3.11Å |
| 960 | G | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A880 C956 T957 L958 T963 S964 | A880-G960 WeakPolarHBondContact CA-O 3.49Å; C956-G960 PolarHBondContact O-N 2.92Å; T957-G960 PolarHBondContact O-N 2.82Å; L958-G960 VanDerWaalsContact C-N 3.33Å; L958-G960 PolarHBondContact O-N 3.32Å; G960-T963 PolarHBondContact O-N 3.14Å; G960-S964 WeakPolarHBondContact O-CB 3.36Å; G960-S964 PolarHBondContact O-N 3.25Å |
| 961 | M | 92.3 | Very high | 92.1 | Very high | 65 Ų | 65 | 50 Ų | 50 | 32% | 0.32 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 175.2 | -174.2 | 175 | -177.2 | 0 | 0 | 111.8 | L883 W887 T957 L958 Q959 S964 F965 | L883-M961 HydrophobicContact CD1-CB 3.82Å; L883-M961 HydrophobicContact CD1-CG 4.01Å; W887-M961 HydrophobicContact CH2-CE 3.67Å; W887-M961 HydrophobicContact CZ2-CE 3.69Å; W887-M961 HydrophobicContact CZ2-CG 4.16Å; T957-M961 WeakPolarHBondContact O-CB 3.19Å; T957-M961 PolarHBondContact O-N 3.48Å; L958-M961 PolarHBondContact O-N 2.91Å; Q959-M961 VanDerWaalsContact C-N 3.35Å; Q959-M961 PolarHBondContact O-N 3.29Å; M961-S964 PolarHBondContact O-N 2.77Å; M961-S964 PolarHBondContact O-OG 3.47Å; M961-F965 WeakPolarHBondContact O-CB 3Å; M961-F965 PolarHBondContact O-N 2.88Å |
| 962 | V | 93.4 | Very high | 92.1 | Very high | 76 Ų | 76 | 45.4 Ų | 45.4 | 46% | 0.461 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.1 | L958 Q959 S964 F965 L966 | L958-V962 WeakPolarHBondContact O-CG2 3.37Å; L958-V962 PolarHBondContact O-N 2.74Å; Q959-V962 PolarHBondContact O-N 3.01Å; V962-S964 PolarHBondContact O-N 3.25Å; V962-F965 WeakPolarHBondContact O-CB 3.34Å; V962-F965 PolarHBondContact O-N 3.25Å; V962-L966 HydrophobicContact CG1-CD1 4.1Å; V962-L966 WeakPolarHBondContact O-CG 3.45Å; V962-L966 PolarHBondContact O-N 3.3Å |
| 963 | T | 93.8 | Very high | 92 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | Y876 A880 Q959 G960 F965 L966 L967 V1003 C1076 | Y876-T963 WeakPolarHBondContact CE2-OG1 3.22Å; Y876-T963 WeakPolarHBondContact OH-CG2 3.47Å; Y876-T963 PolarHBondContact OH-OG1 3.15Å; Y876-T963 VanDerWaalsContact OH-OG1 3.04Å; A880-T963 HydrophobicContact CB-CG2 4.09Å; Q959-T963 PolarHBondContact O-N 3.35Å; Q959-T963 PolarHBondContact O-OG1 2.9Å; Q959-T963 VanDerWaalsContact O-OG1 3.11Å; G960-T963 PolarHBondContact O-N 3.14Å; T963-F965 VanDerWaalsContact C-N 3.27Å; T963-F965 PolarHBondContact O-N 3.46Å; T963-L966 PolarHBondContact O-N 3.45Å; T963-L967 HydrophobicContact CG2-CD1 3.83Å; T963-L967 HydrophobicContact CG2-CG 4.11Å; T963-L967 WeakPolarHBondContact O-CB 3.21Å; T963-L967 VanDerWaalsContact O-CG 3.23Å; T963-L967 WeakPolarHBondContact O-CG 3.45Å; T963-L967 PolarHBondContact O-N 3.49Å; T963-V1003 HydrophobicContact CG2-CG1 3.96Å; T963-C1076 HydrophobicContact CG2-CB 4.44Å |
| 964 | S | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.6 | -36.8 | 177.9 | 74.4 | 0 | 0 | 0 | 0 | 113 | A880 L883 W887 G960 M961 V962 F968 | A880-S964 WeakPolarHBondContact O-CB 3.43Å; L883-S964 VanDerWaalsContact CB-OG 3.25Å; L883-S964 WeakPolarHBondContact CB-OG 3.22Å; W887-S964 PolarHBondContact NE1-OG 3.46Å; G960-S964 WeakPolarHBondContact O-CB 3.36Å; G960-S964 PolarHBondContact O-N 3.25Å; M961-S964 PolarHBondContact O-N 2.77Å; M961-S964 PolarHBondContact O-OG 3.47Å; V962-S964 PolarHBondContact O-N 3.25Å; S964-F968 PolarHBondContact O-N 2.93Å |
| 965 | F | 94.8 | Very high | 91.5 | Very high | 86 Ų | 86 | 40.4 Ų | 40.4 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.3 | -50.9 | 177.8 | 178.7 | -89.1 | 0 | 0 | 0 | 110.3 | W887 M961 V962 T963 L967 F968 F969 | W887-F965 HydrophobicContact CD2-CD2 4.37Å; W887-F965 HydrophobicContact CH2-CD2 4.33Å; W887-F965 HydrophobicContact CZ2-CB 4.42Å; W887-F965 HydrophobicContact CZ2-CD2 4.13Å; M961-F965 WeakPolarHBondContact O-CB 3Å; M961-F965 PolarHBondContact O-N 2.88Å; V962-F965 WeakPolarHBondContact O-CB 3.34Å; V962-F965 PolarHBondContact O-N 3.25Å; T963-F965 VanDerWaalsContact C-N 3.27Å; T963-F965 PolarHBondContact O-N 3.46Å; F965-L967 PolarHBondContact O-N 3.02Å; F965-F968 PolarHBondContact O-N 3.34Å; F965-F969 HydrophobicContact CD1-CD2 4.07Å; F965-F969 AromaticContact CD2-CD2 3.55Å; F965-F969 HydrophobicContact CD2-CD2 3.55Å; F965-F969 AromaticContact CD2-CE2 3.41Å; F965-F969 HydrophobicContact CD2-CE2 3.41Å; F965-F969 VanDerWaalsContact CD2-CE2 3.41Å; F965-F969 AromaticContact CE1-CD2 3.93Å; F965-F969 HydrophobicContact CE1-CD2 3.93Å; F965-F969 HydrophobicContact CE1-CE2 4.5Å; F965-F969 HydrophobicContact CE1-CG 4.48Å; F965-F969 AromaticContact CE2-CD2 3.4Å; F965-F969 HydrophobicContact CE2-CD2 3.4Å; F965-F969 VanDerWaalsContact CE2-CD2 3.4Å; F965-F969 AromaticContact CE2-CE2 3.14Å; F965-F969 HydrophobicContact CE2-CE2 3.14Å; F965-F969 HydrophobicContact CE2-CG 4.41Å; F965-F969 AromaticContact CE2-CZ 3.96Å; F965-F969 HydrophobicContact CE2-CZ 3.96Å; F965-F969 AromaticContact CG-CD2 3.88Å; F965-F969 HydrophobicContact CG-CD2 3.88Å; F965-F969 HydrophobicContact CG-CE2 4.21Å; F965-F969 AromaticContact CZ-CD2 3.59Å; F965-F969 HydrophobicContact CZ-CD2 3.59Å; F965-F969 AromaticContact CZ-CE2 3.75Å; F965-F969 HydrophobicContact CZ-CE2 3.75Å; F965-F969 HydrophobicContact CZ-CG 4.23Å; F965-F969 HydrophobicContact CZ-CZ 4.45Å; F965-F969 VanDerWaalsContact O-CD2 3.32Å; F965-F969 WeakPolarHBondContact O-CD2 3.12Å; F965-F969 PolarHBondContact O-N 2.96Å |
| 966 | L | 94.5 | Very high | 90.9 | Very high | 39 Ų | 39 | 40.9 Ų | 40.9 | 20% | 0.204 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 178.7 | -65.4 | 172.1 | 0 | 0 | 0 | 112.4 | V962 T963 F968 I970 V1075 | V962-L966 HydrophobicContact CG1-CD1 4.1Å; V962-L966 WeakPolarHBondContact O-CG 3.45Å; V962-L966 PolarHBondContact O-N 3.3Å; T963-L966 PolarHBondContact O-N 3.45Å; L966-F968 PolarHBondContact O-N 3.47Å; L966-I970 HydrophobicContact CB-CD1 4.2Å; L966-I970 HydrophobicContact CD2-CD1 4.29Å; L966-I970 WeakPolarHBondContact O-CB 3.13Å; L966-I970 WeakPolarHBondContact O-CG1 3.45Å; L966-I970 PolarHBondContact O-N 3.46Å; L966-V1075 HydrophobicContact CD1-CG1 4.22Å; L966-V1075 HydrophobicContact CD2-CG1 4.33Å |
| 967 | L | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -30.5 | 176.5 | -79.4 | 174.4 | 0 | 0 | 0 | 113.2 | V884 T963 F965 P971 T999 L1000 V1003 T1072 | V884-L967 HydrophobicContact CG2-CB 4.37Å; T963-L967 HydrophobicContact CG2-CD1 3.83Å; T963-L967 HydrophobicContact CG2-CG 4.11Å; T963-L967 WeakPolarHBondContact O-CB 3.21Å; T963-L967 VanDerWaalsContact O-CG 3.23Å; T963-L967 WeakPolarHBondContact O-CG 3.45Å; T963-L967 PolarHBondContact O-N 3.49Å; F965-L967 PolarHBondContact O-N 3.02Å; L967-P971 WeakPolarHBondContact O-CD 3.35Å; L967-P971 VanDerWaalsContact O-CG 3.28Å; L967-P971 WeakPolarHBondContact O-CG 3.45Å; L967-T999 HydrophobicContact CD2-CG2 3.69Å; L967-L1000 HydrophobicContact CD1-CB 4.31Å; L967-L1000 HydrophobicContact CD1-CD1 3.51Å; L967-L1000 HydrophobicContact CD1-CG 4.5Å; L967-V1003 HydrophobicContact CD2-CG2 4.14Å; L967-T1072 HydrophobicContact CD2-CG2 4.02Å |
| 968 | F | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -87.3 | -52.9 | 178.4 | -178.8 | -97.2 | 0 | 0 | 0 | 112.1 | V884 W887 Y888 F891 S964 F965 L966 Y972 F992 I996 | V884-F968 HydrophobicContact CG1-CB 4.42Å; V884-F968 HydrophobicContact CG1-CD2 4.09Å; W887-F968 HydrophobicContact CB-CB 4.24Å; W887-F968 HydrophobicContact CB-CD1 3.86Å; W887-F968 HydrophobicContact CB-CE1 4.41Å; W887-F968 HydrophobicContact CB-CG 3.92Å; Y888-F968 AromaticContact CD2-CE2 3.74Å; Y888-F968 HydrophobicContact CD2-CE2 3.74Å; Y888-F968 HydrophobicContact CD2-CZ 4.05Å; Y888-F968 HydrophobicContact CG-CE2 4.24Å; F891-F968 AromaticContact CD2-CE1 3.5Å; F891-F968 HydrophobicContact CD2-CE1 3.5Å; F891-F968 AromaticContact CD2-CZ 3.57Å; F891-F968 HydrophobicContact CD2-CZ 3.57Å; F891-F968 HydrophobicContact CE2-CD1 4.46Å; F891-F968 AromaticContact CE2-CE1 3.43Å; F891-F968 HydrophobicContact CE2-CE1 3.43Å; F891-F968 VanDerWaalsContact CE2-CE1 3.43Å; F891-F968 HydrophobicContact CE2-CZ 4.01Å; F891-F968 HydrophobicContact CG-CE1 4.45Å; F891-F968 HydrophobicContact CG-CZ 4.26Å; F891-F968 HydrophobicContact CZ-CE1 4.31Å; S964-F968 PolarHBondContact O-N 2.93Å; F965-F968 PolarHBondContact O-N 3.34Å; L966-F968 PolarHBondContact O-N 3.47Å; F968-Y972 HydrophobicContact CE1-CG 4.42Å; F968-Y972 HydrophobicContact CZ-CD2 4.34Å; F968-Y972 WeakPolarHBondContact O-CB 3.44Å; F968-Y972 PolarHBondContact O-N 3.07Å; F968-Y972 VanDerWaalsContact O-N 3.08Å; F968-F992 HydrophobicContact CD2-CZ 4.21Å; F968-F992 HydrophobicContact CE2-CE1 4.05Å; F968-F992 AromaticContact CE2-CZ 3.87Å; F968-F992 HydrophobicContact CE2-CZ 3.87Å; F968-I996 HydrophobicContact CD2-CD1 4.33Å |
| 969 | F | 93.2 | Very high | 89.1 | Confident | 70 Ų | 70 | 46.2 Ų | 46.2 | 31% | 0.307 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73 | -32.1 | -169.3 | -79.8 | -79.1 | 0 | 0 | 0 | 114.1 | F891 F965 G973 | F891-F969 HydrophobicContact CE2-CE1 4.06Å; F891-F969 HydrophobicContact CE2-CZ 4.12Å; F891-F969 AromaticContact CZ-CE1 3.85Å; F891-F969 HydrophobicContact CZ-CE1 3.85Å; F891-F969 HydrophobicContact CZ-CZ 4.29Å; F965-F969 HydrophobicContact CD1-CD2 4.07Å; F965-F969 AromaticContact CD2-CD2 3.55Å; F965-F969 HydrophobicContact CD2-CD2 3.55Å; F965-F969 AromaticContact CD2-CE2 3.41Å; F965-F969 HydrophobicContact CD2-CE2 3.41Å; F965-F969 VanDerWaalsContact CD2-CE2 3.41Å; F965-F969 AromaticContact CE1-CD2 3.93Å; F965-F969 HydrophobicContact CE1-CD2 3.93Å; F965-F969 HydrophobicContact CE1-CE2 4.5Å; F965-F969 HydrophobicContact CE1-CG 4.48Å; F965-F969 AromaticContact CE2-CD2 3.4Å; F965-F969 HydrophobicContact CE2-CD2 3.4Å; F965-F969 VanDerWaalsContact CE2-CD2 3.4Å; F965-F969 AromaticContact CE2-CE2 3.14Å; F965-F969 HydrophobicContact CE2-CE2 3.14Å; F965-F969 HydrophobicContact CE2-CG 4.41Å; F965-F969 AromaticContact CE2-CZ 3.96Å; F965-F969 HydrophobicContact CE2-CZ 3.96Å; F965-F969 AromaticContact CG-CD2 3.88Å; F965-F969 HydrophobicContact CG-CD2 3.88Å; F965-F969 HydrophobicContact CG-CE2 4.21Å; F965-F969 AromaticContact CZ-CD2 3.59Å; F965-F969 HydrophobicContact CZ-CD2 3.59Å; F965-F969 AromaticContact CZ-CE2 3.75Å; F965-F969 HydrophobicContact CZ-CE2 3.75Å; F965-F969 HydrophobicContact CZ-CG 4.23Å; F965-F969 HydrophobicContact CZ-CZ 4.45Å; F965-F969 VanDerWaalsContact O-CD2 3.32Å; F965-F969 WeakPolarHBondContact O-CD2 3.12Å; F965-F969 PolarHBondContact O-N 2.96Å; F969-G973 PolarHBondContact O-N 2.88Å |
| 970 | I | 92.7 | Very high | 88.2 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 20% | 0.195 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.3 | -53.4 | 179.5 | -62.6 | 170.5 | 0 | 0 | 0 | 110.7 | L966 Y972 G973 A974 L1071 T1072 V1075 | L966-I970 HydrophobicContact CB-CD1 4.2Å; L966-I970 HydrophobicContact CD2-CD1 4.29Å; L966-I970 WeakPolarHBondContact O-CB 3.13Å; L966-I970 WeakPolarHBondContact O-CG1 3.45Å; L966-I970 PolarHBondContact O-N 3.46Å; I970-Y972 VanDerWaalsContact C-N 3.32Å; I970-Y972 PolarHBondContact O-N 3.47Å; I970-G973 PolarHBondContact O-N 3.02Å; I970-A974 WeakPolarHBondContact O-CB 3.47Å; I970-A974 PolarHBondContact O-N 2.96Å; I970-L1071 HydrophobicContact CG2-CD2 4.27Å; I970-T1072 HydrophobicContact CB-CG2 4.44Å; I970-T1072 HydrophobicContact CD1-CG2 4.28Å; I970-T1072 VanDerWaalsContact CG2-OG1 3.28Å; I970-T1072 WeakPolarHBondContact CG2-OG1 3.17Å; I970-V1075 HydrophobicContact CD1-CB 4.13Å; I970-V1075 HydrophobicContact CD1-CG1 3.99Å |
| 971 | P | 90.4 | Very high | 87 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 173.7 | -25.9 | 38.1 | 0 | 0 | 0 | 112.4 | L967 G973 A974 F975 F992 I996 V1068 | L967-P971 WeakPolarHBondContact O-CD 3.35Å; L967-P971 VanDerWaalsContact O-CG 3.28Å; L967-P971 WeakPolarHBondContact O-CG 3.45Å; P971-G973 PolarHBondContact O-N 3.05Å; P971-A974 PolarHBondContact O-N 3.13Å; P971-A974 VanDerWaalsContact O-N 3.17Å; P971-F975 WeakPolarHBondContact O-CB 3.29Å; P971-F975 WeakPolarHBondContact O-CD2 2.95Å; P971-F975 PolarHBondContact O-N 2.99Å; P971-F992 HydrophobicContact CB-CD2 4.46Å; P971-F992 HydrophobicContact CB-CE2 4.01Å; P971-I996 HydrophobicContact CB-CG1 4.05Å; P971-I996 HydrophobicContact CG-CG1 4.13Å; P971-V1068 HydrophobicContact CB-CG1 4.3Å; P971-V1068 HydrophobicContact CG-CG1 4.25Å |
| 972 | Y | 89.1 | Confident | 85.8 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | -179.9 | -177.8 | -100.4 | 0 | 0 | 0 | 112.2 | F891 F968 I970 F992 | F891-Y972 HydrophobicContact CD1-CE1 4.11Å; F891-Y972 HydrophobicContact CD1-CE2 4.28Å; F891-Y972 AromaticContact CD1-CZ 3.68Å; F891-Y972 WeakPolarHBondContact CD1-OH 3.31Å; F891-Y972 AromaticContact CE1-CE1 3.78Å; F891-Y972 HydrophobicContact CE1-CE1 3.78Å; F891-Y972 AromaticContact CE1-CZ 3.86Å; F891-Y972 HydrophobicContact CZ-CE1 4.35Å; F968-Y972 HydrophobicContact CE1-CG 4.42Å; F968-Y972 HydrophobicContact CZ-CD2 4.34Å; F968-Y972 WeakPolarHBondContact O-CB 3.44Å; F968-Y972 PolarHBondContact O-N 3.07Å; F968-Y972 VanDerWaalsContact O-N 3.08Å; I970-Y972 VanDerWaalsContact C-N 3.32Å; I970-Y972 PolarHBondContact O-N 3.47Å; Y972-F992 HydrophobicContact CD2-CE2 4.45Å; Y972-F992 HydrophobicContact CD2-CZ 4.2Å |
| 973 | G | 88.3 | Confident | 84.5 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.1 | -30.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | F969 I970 P971 S976 | F969-G973 PolarHBondContact O-N 2.88Å; I970-G973 PolarHBondContact O-N 3.02Å; P971-G973 PolarHBondContact O-N 3.05Å; G973-S976 PolarHBondContact O-OG 2.95Å |
| 974 | A | 87.5 | Confident | 83.5 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 19% | 0.19 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73.1 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I970 P971 S976 V977 M978 V1068 | I970-A974 WeakPolarHBondContact O-CB 3.47Å; I970-A974 PolarHBondContact O-N 2.96Å; P971-A974 PolarHBondContact O-N 3.13Å; P971-A974 VanDerWaalsContact O-N 3.17Å; A974-S976 PolarHBondContact O-N 3.4Å; A974-V977 PolarHBondContact O-N 3.25Å; A974-M978 WeakPolarHBondContact O-CG 3.39Å; A974-M978 PolarHBondContact O-N 3.35Å; A974-V1068 HydrophobicContact CB-CG1 4.15Å; A974-V1068 HydrophobicContact CB-CG2 3.62Å |
| 975 | F | 84.3 | Confident | 82.2 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.7 | -26.4 | -177.6 | -91.1 | -113.3 | 0 | 0 | 0 | 113.5 | P971 V977 F986 A991 F992 T995 | P971-F975 WeakPolarHBondContact O-CB 3.29Å; P971-F975 WeakPolarHBondContact O-CD2 2.95Å; P971-F975 PolarHBondContact O-N 2.99Å; F975-V977 PolarHBondContact O-N 3.41Å; F975-F986 AromaticContact CD1-CD1 3.8Å; F975-F986 HydrophobicContact CD1-CD1 3.8Å; F975-F986 HydrophobicContact CD1-CE1 4.31Å; F975-F986 WeakPolarHBondContact CD1-O 3.48Å; F975-F986 AromaticContact CE1-CD1 3.38Å; F975-F986 HydrophobicContact CE1-CD1 3.38Å; F975-F986 AromaticContact CE1-CE1 3.44Å; F975-F986 HydrophobicContact CE1-CE1 3.44Å; F975-F986 VanDerWaalsContact CE1-CE1 3.44Å; F975-F986 HydrophobicContact CE2-CE1 4.4Å; F975-F986 AromaticContact CZ-CD1 3.82Å; F975-F986 HydrophobicContact CZ-CD1 3.82Å; F975-F986 AromaticContact CZ-CE1 3.5Å; F975-F986 HydrophobicContact CZ-CE1 3.5Å; F975-A991 HydrophobicContact CE1-CB 4.21Å; F975-F992 HydrophobicContact CD1-CB 4.2Å; F975-F992 HydrophobicContact CD1-CD2 4.31Å; F975-F992 HydrophobicContact CD2-CD2 4.16Å; F975-F992 HydrophobicContact CE1-CB 3.94Å; F975-F992 HydrophobicContact CE1-CD2 4.49Å; F975-F992 HydrophobicContact CE2-CD2 4.33Å; F975-F992 HydrophobicContact CG-CD2 4.12Å; F975-F992 HydrophobicContact CZ-CB 4.34Å; F975-F992 HydrophobicContact CZ-CD2 4.49Å; F975-T995 HydrophobicContact CE2-CG2 3.95Å; F975-T995 HydrophobicContact CZ-CG2 4.31Å; F975-T995 WeakPolarHBondContact CZ-OG1 3.46Å |
| 976 | S | 77.4 | Confident | 81 | Confident | 97 Ų | 97 | 59.4 Ų | 59.4 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12.9 | 173.5 | 65 | 0 | 0 | 0 | 0 | 113.8 | G973 A974 | G973-S976 PolarHBondContact O-OG 2.95Å; A974-S976 PolarHBondContact O-N 3.4Å |
| 977 | V | 79.8 | Confident | 79.7 | Confident | 114 Ų | 114 | 61.9 Ų | 61.9 | 69% | 0.691 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | -14.8 | -177.7 | -173.9 | 0 | 0 | 0 | 0 | 112 | A974 F975 | A974-V977 PolarHBondContact O-N 3.25Å; F975-V977 PolarHBondContact O-N 3.41Å |
| 978 | M | 77.6 | Confident | 79.1 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 18% | 0.177 | 38% | 0.383 | C | S | . | . | trans | -76.2 | 130.7 | -175.7 | -61 | -135.4 | 119.8 | 0 | 0 | 113 | A974 F986 V1068 | A974-M978 WeakPolarHBondContact O-CG 3.39Å; A974-M978 PolarHBondContact O-N 3.35Å; M978-F986 HydrophobicContact CB-CB 4.02Å; M978-F986 PolarHBondContact O-N 3.36Å; M978-V1068 HydrophobicContact CE-CG2 3.61Å; M978-V1068 HydrophobicContact SD-CG2 3.97Å | ||
| 979 | L | 74.8 | Confident | 78.5 | Confident | 99 Ų | 99 | 70.1 Ų | 70.1 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -111.7 | 143.7 | 167.6 | -72.7 | 148.9 | 0 | 0 | 0 | 108.8 | G983 | L979-G983 WeakPolarHBondContact CD2-O 3.36Å |
| 980 | K | 72.7 | Confident | 78.2 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | trans | -66.4 | 161.7 | 170.1 | -70.9 | -170.6 | -168.9 | 166.7 | 0 | 111.1 | D982 G983 S984 F986 | K980-D982 PolarHBondContact O-N 3.07Å; K980-D982 VanDerWaalsContact O-N 3.09Å; K980-G983 PolarHBondContact O-N 2.91Å; K980-S984 WeakPolarHBondContact CD-OG 3.29Å; K980-S984 PolarHBondContact N-O 2.96Å; K980-F986 HydrophobicContact CD-CD2 4.1Å; K980-F986 VanDerWaalsContact CE-CD2 3.48Å; K980-F986 HydrophobicContact CG-CB 4.48Å; K980-F986 HydrophobicContact CG-CD2 3.55Å; K980-F986 HydrophobicContact CG-CE2 4.3Å; K980-F986 HydrophobicContact CG-CG 4.49Å | ||
| 981 | D | 68.8 | Low | 77.9 | Confident | 127 Ų | 127 | 68 Ų | 68 | 68% | 0.679 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.5 | 170.5 | -78.5 | -15.2 | 0 | 0 | 0 | 112.1 | ||
| 982 | D | 67.3 | Low | 77.8 | Confident | 149 Ų | 149 | 68.7 Ų | 68.7 | 80% | 0.797 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -1.5 | 175.6 | -65.2 | -26.3 | 0 | 0 | 0 | 114.6 | K980 | K980-D982 PolarHBondContact O-N 3.07Å; K980-D982 VanDerWaalsContact O-N 3.09Å |
| 983 | G | 65.9 | Low | 77.8 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 55% | 0.546 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 82.4 | 3.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | L979 K980 | L979-G983 WeakPolarHBondContact CD2-O 3.36Å; K980-G983 PolarHBondContact O-N 2.91Å |
| 984 | S | 73 | Confident | 77.9 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | trans | -84.9 | 151 | 172.9 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | K980 | K980-S984 WeakPolarHBondContact CD-OG 3.29Å; K980-S984 PolarHBondContact N-O 2.96Å | ||
| 985 | D | 67.2 | Low | 78 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | B | Isolated β-bridge | trans | -60 | 139.1 | 174.8 | -73.3 | -12.1 | 0 | 0 | 0 | 112.4 | S987 | D985-S987 VanDerWaalsContact C-N 3.32Å; D985-S987 PolarHBondContact O-N 2.96Å |
| 986 | F | 69.6 | Low | 78.4 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | trans | -92.4 | 20.5 | -179.8 | -161.4 | -106.2 | 0 | 0 | 0 | 113.4 | F975 M978 K980 D988 A991 C1059 E1062 V1065 | F975-F986 AromaticContact CD1-CD1 3.8Å; F975-F986 HydrophobicContact CD1-CD1 3.8Å; F975-F986 HydrophobicContact CD1-CE1 4.31Å; F975-F986 WeakPolarHBondContact CD1-O 3.48Å; F975-F986 AromaticContact CE1-CD1 3.38Å; F975-F986 HydrophobicContact CE1-CD1 3.38Å; F975-F986 AromaticContact CE1-CE1 3.44Å; F975-F986 HydrophobicContact CE1-CE1 3.44Å; F975-F986 VanDerWaalsContact CE1-CE1 3.44Å; F975-F986 HydrophobicContact CE2-CE1 4.4Å; F975-F986 AromaticContact CZ-CD1 3.82Å; F975-F986 HydrophobicContact CZ-CD1 3.82Å; F975-F986 AromaticContact CZ-CE1 3.5Å; F975-F986 HydrophobicContact CZ-CE1 3.5Å; M978-F986 HydrophobicContact CB-CB 4.02Å; M978-F986 PolarHBondContact O-N 3.36Å; K980-F986 HydrophobicContact CD-CD2 4.1Å; K980-F986 VanDerWaalsContact CE-CD2 3.48Å; K980-F986 HydrophobicContact CG-CB 4.48Å; K980-F986 HydrophobicContact CG-CD2 3.55Å; K980-F986 HydrophobicContact CG-CE2 4.3Å; K980-F986 HydrophobicContact CG-CG 4.49Å; F986-D988 VanDerWaalsContact C-N 3.27Å; F986-D988 PolarHBondContact O-N 2.94Å; F986-A991 HydrophobicContact CE1-CB 4.13Å; F986-A991 HydrophobicContact CZ-CB 4.14Å; F986-C1059 HydrophobicContact CZ-CB 4.36Å; F986-E1062 HydrophobicContact CE2-CB 4.5Å; F986-E1062 HydrophobicContact CE2-CG 3.82Å; F986-E1062 HydrophobicContact CZ-CG 4.38Å; F986-V1065 HydrophobicContact CE1-CG2 3.53Å; F986-V1065 HydrophobicContact CZ-CG2 3.53Å | ||
| 987 | S | 66.8 | Low | 79.1 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 64% | 0.643 | 32% | 0.32 | S | S | * | . | trans | -82.8 | 42.1 | -166.8 | 54.7 | 0 | 0 | 0 | 0 | 115.4 | D985 | D985-S987 VanDerWaalsContact C-N 3.32Å; D985-S987 PolarHBondContact O-N 2.96Å | ||
| 988 | D | 80.8 | Confident | 79.8 | Confident | 82 Ų | 82 | 50.7 Ų | 50.7 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | trans | -90.6 | 131 | 176.1 | -175 | 5.5 | 0 | 0 | 0 | 111.8 | F986 Q990 A991 F992 | F986-D988 VanDerWaalsContact C-N 3.27Å; F986-D988 PolarHBondContact O-N 2.94Å; D988-Q990 VanDerWaalsContact C-N 3.25Å; D988-Q990 PolarHBondContact O-N 2.95Å; D988-Q990 PolarHBondContact OD1-N 3.48Å; D988-A991 HydrophobicContact CB-CB 4.09Å; D988-A991 PolarHBondContact O-N 3.17Å; D988-F992 WeakPolarHBondContact O-CB 3.48Å; D988-F992 PolarHBondContact O-N 2.83Å | ||
| 989 | Q | 82.3 | Confident | 80.6 | Confident | 91 Ų | 91 | 49 Ų | 49 | 43% | 0.425 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.1 | -36.9 | 174.9 | -179.2 | -177.8 | -12.8 | 0 | 0 | 111.6 | Y888 F992 A993 | Y888-Q989 PolarHBondContact OH-NE2 3.32Å; Q989-F992 WeakPolarHBondContact O-CB 3.44Å; Q989-F992 PolarHBondContact O-N 3.46Å; Q989-A993 WeakPolarHBondContact O-CB 3.28Å; Q989-A993 PolarHBondContact O-N 3.01Å |
| 990 | Q | 86.2 | Confident | 81.5 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.7 | -41.5 | -179.4 | -58.2 | -171.1 | -13.6 | 0 | 0 | 111.4 | D988 F992 A993 V994 P1051 F1052 T1055 | D988-Q990 VanDerWaalsContact C-N 3.25Å; D988-Q990 PolarHBondContact O-N 2.95Å; D988-Q990 PolarHBondContact OD1-N 3.48Å; Q990-F992 VanDerWaalsContact C-N 3.33Å; Q990-A993 PolarHBondContact O-N 3.42Å; Q990-V994 WeakPolarHBondContact O-CG2 3.35Å; Q990-V994 PolarHBondContact O-N 2.84Å; Q990-P1051 PolarHBondContact NE2-O 2.95Å; Q990-F1052 HydrophobicContact CB-CD1 4.49Å; Q990-F1052 HydrophobicContact CB-CD2 4.28Å; Q990-F1052 HydrophobicContact CB-CE1 4.47Å; Q990-F1052 HydrophobicContact CB-CE2 4.23Å; Q990-F1052 HydrophobicContact CB-CG 4.43Å; Q990-F1052 HydrophobicContact CB-CZ 4.34Å; Q990-F1052 HydrophobicContact CG-CD1 3.99Å; Q990-F1052 HydrophobicContact CG-CE1 3.87Å; Q990-F1052 HydrophobicContact CG-CE2 4.5Å; Q990-F1052 HydrophobicContact CG-CG 4.39Å; Q990-F1052 HydrophobicContact CG-CZ 4.14Å; Q990-T1055 HydrophobicContact CB-CG2 3.62Å; Q990-T1055 PolarHBondContact OE1-OG1 3.07Å; Q990-T1055 VanDerWaalsContact OE1-OG1 3.13Å |
| 991 | A | 86.6 | Confident | 82.5 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F975 F986 D988 V994 T995 C1059 | F975-A991 HydrophobicContact CE1-CB 4.21Å; F986-A991 HydrophobicContact CE1-CB 4.13Å; F986-A991 HydrophobicContact CZ-CB 4.14Å; D988-A991 HydrophobicContact CB-CB 4.09Å; D988-A991 PolarHBondContact O-N 3.17Å; A991-V994 PolarHBondContact O-N 3.05Å; A991-T995 WeakPolarHBondContact O-CB 3.37Å; A991-T995 PolarHBondContact O-N 3.01Å; A991-T995 PolarHBondContact O-OG1 3.34Å; A991-C1059 HydrophobicContact CB-CB 4.36Å |
| 992 | F | 88.4 | Confident | 83.7 | Confident | 16 Ų | 16 | 36.7 Ų | 36.7 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 172.9 | 179.2 | -109.9 | 0 | 0 | 0 | 112 | F968 P971 Y972 F975 D988 Q989 Q990 V994 T995 I996 | F968-F992 HydrophobicContact CD2-CZ 4.21Å; F968-F992 HydrophobicContact CE2-CE1 4.05Å; F968-F992 AromaticContact CE2-CZ 3.87Å; F968-F992 HydrophobicContact CE2-CZ 3.87Å; P971-F992 HydrophobicContact CB-CD2 4.46Å; P971-F992 HydrophobicContact CB-CE2 4.01Å; Y972-F992 HydrophobicContact CD2-CE2 4.45Å; Y972-F992 HydrophobicContact CD2-CZ 4.2Å; F975-F992 HydrophobicContact CD1-CB 4.2Å; F975-F992 HydrophobicContact CD1-CD2 4.31Å; F975-F992 HydrophobicContact CD2-CD2 4.16Å; F975-F992 HydrophobicContact CE1-CB 3.94Å; F975-F992 HydrophobicContact CE1-CD2 4.49Å; F975-F992 HydrophobicContact CE2-CD2 4.33Å; F975-F992 HydrophobicContact CG-CD2 4.12Å; F975-F992 HydrophobicContact CZ-CB 4.34Å; F975-F992 HydrophobicContact CZ-CD2 4.49Å; D988-F992 WeakPolarHBondContact O-CB 3.48Å; D988-F992 PolarHBondContact O-N 2.83Å; Q989-F992 WeakPolarHBondContact O-CB 3.44Å; Q989-F992 PolarHBondContact O-N 3.46Å; Q990-F992 VanDerWaalsContact C-N 3.33Å; F992-V994 PolarHBondContact O-N 2.89Å; F992-T995 PolarHBondContact O-N 3.4Å; F992-I996 HydrophobicContact CD1-CD1 3.96Å; F992-I996 HydrophobicContact CD2-CD1 4.1Å; F992-I996 HydrophobicContact CD2-CG1 4.45Å; F992-I996 HydrophobicContact CE1-CD1 3.38Å; F992-I996 HydrophobicContact CE2-CD1 3.53Å; F992-I996 HydrophobicContact CE2-CG1 4.18Å; F992-I996 HydrophobicContact CG-CD1 4.31Å; F992-I996 HydrophobicContact CZ-CD1 3.16Å; F992-I996 HydrophobicContact CZ-CG1 4.27Å; F992-I996 WeakPolarHBondContact O-CG1 2.96Å; F992-I996 PolarHBondContact O-N 3.41Å |
| 993 | A | 88.8 | Confident | 85 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V899 Q989 Q990 A997 F1052 | V899-A993 WeakPolarHBondContact O-CB 3.33Å; Q989-A993 WeakPolarHBondContact O-CB 3.28Å; Q989-A993 PolarHBondContact O-N 3.01Å; Q990-A993 PolarHBondContact O-N 3.42Å; A993-A997 WeakPolarHBondContact O-CB 3.38Å; A993-A997 PolarHBondContact O-N 3.17Å; A993-F1052 HydrophobicContact CB-CE2 3.97Å; A993-F1052 HydrophobicContact CB-CZ 4.33Å |
| 994 | V | 89.6 | Confident | 86.4 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.03 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | Q990 A991 F992 A997 T998 L1034 F1052 T1055 | Q990-V994 WeakPolarHBondContact O-CG2 3.35Å; Q990-V994 PolarHBondContact O-N 2.84Å; A991-V994 PolarHBondContact O-N 3.05Å; F992-V994 PolarHBondContact O-N 2.89Å; V994-A997 PolarHBondContact O-N 3.18Å; V994-T998 WeakPolarHBondContact O-CB 3.39Å; V994-T998 PolarHBondContact O-N 2.91Å; V994-T998 PolarHBondContact O-OG1 3.36Å; V994-L1034 HydrophobicContact CG1-CD2 4.32Å; V994-F1052 HydrophobicContact CG2-CD2 4.28Å; V994-T1055 HydrophobicContact CG2-CG2 4.12Å |
| 995 | T | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.3 | -46.8 | 179.1 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | F975 A991 F992 T998 T999 C1059 V1065 I1069 | F975-T995 HydrophobicContact CE2-CG2 3.95Å; F975-T995 HydrophobicContact CZ-CG2 4.31Å; F975-T995 WeakPolarHBondContact CZ-OG1 3.46Å; A991-T995 WeakPolarHBondContact O-CB 3.37Å; A991-T995 PolarHBondContact O-N 3.01Å; A991-T995 PolarHBondContact O-OG1 3.34Å; F992-T995 PolarHBondContact O-N 3.4Å; T995-T998 PolarHBondContact O-N 3.13Å; T995-T999 WeakPolarHBondContact O-CB 3.38Å; T995-T999 PolarHBondContact O-N 2.81Å; T995-T999 PolarHBondContact O-OG1 3.34Å; T995-C1059 PolarHBondContact OG1-SG 3.47Å; T995-V1065 HydrophobicContact CG2-CG1 3.91Å; T995-I1069 HydrophobicContact CG2-CG1 4.28Å |
| 996 | I | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 176.5 | -64.3 | 179.6 | 0 | 0 | 0 | 110.4 | V884 V899 Y900 F968 P971 F992 T998 T999 L1000 | V884-I996 HydrophobicContact CG1-CG2 4.21Å; V899-I996 HydrophobicContact CG1-CD1 4.34Å; Y900-I996 HydrophobicContact CE1-CB 4.23Å; Y900-I996 HydrophobicContact CE1-CG2 3.67Å; Y900-I996 WeakPolarHBondContact OH-CG2 3.16Å; F968-I996 HydrophobicContact CD2-CD1 4.33Å; P971-I996 HydrophobicContact CB-CG1 4.05Å; P971-I996 HydrophobicContact CG-CG1 4.13Å; F992-I996 HydrophobicContact CD1-CD1 3.96Å; F992-I996 HydrophobicContact CD2-CD1 4.1Å; F992-I996 HydrophobicContact CD2-CG1 4.45Å; F992-I996 HydrophobicContact CE1-CD1 3.38Å; F992-I996 HydrophobicContact CE2-CD1 3.53Å; F992-I996 HydrophobicContact CE2-CG1 4.18Å; F992-I996 HydrophobicContact CG-CD1 4.31Å; F992-I996 HydrophobicContact CZ-CD1 3.16Å; F992-I996 HydrophobicContact CZ-CG1 4.27Å; F992-I996 WeakPolarHBondContact O-CG1 2.96Å; F992-I996 PolarHBondContact O-N 3.41Å; I996-T998 VanDerWaalsContact C-N 3.35Å; I996-T998 PolarHBondContact O-N 3.48Å; I996-T999 PolarHBondContact O-N 2.94Å; I996-L1000 WeakPolarHBondContact O-CB 3.39Å; I996-L1000 PolarHBondContact O-N 3Å |
| 997 | A | 92.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 22.7 Ų | 22.7 | 5% | 0.05 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.5 | -47 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y900 F904 A993 V994 L1000 V1001 | Y900-A997 HydrophobicContact CD1-CB 3.96Å; Y900-A997 HydrophobicContact CE1-CB 4.19Å; F904-A997 HydrophobicContact CD1-CB 4.31Å; F904-A997 HydrophobicContact CD2-CB 3.97Å; F904-A997 HydrophobicContact CE1-CB 4Å; F904-A997 HydrophobicContact CE2-CB 3.67Å; F904-A997 HydrophobicContact CG-CB 4.28Å; F904-A997 HydrophobicContact CZ-CB 3.68Å; A993-A997 WeakPolarHBondContact O-CB 3.38Å; A993-A997 PolarHBondContact O-N 3.17Å; V994-A997 PolarHBondContact O-N 3.18Å; A997-L1000 PolarHBondContact O-N 2.83Å; A997-V1001 WeakPolarHBondContact O-CG2 3.44Å; A997-V1001 PolarHBondContact O-N 2.9Å; A997-V1001 VanDerWaalsContact O-N 3.12Å |
| 998 | T | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65 | -43.5 | 178.6 | -54 | 0 | 0 | 0 | 0 | 110.9 | V994 T995 I996 V1001 I1002 Y1030 F1031 L1060 I1069 | V994-T998 WeakPolarHBondContact O-CB 3.39Å; V994-T998 PolarHBondContact O-N 2.91Å; V994-T998 PolarHBondContact O-OG1 3.36Å; T995-T998 PolarHBondContact O-N 3.13Å; I996-T998 VanDerWaalsContact C-N 3.35Å; I996-T998 PolarHBondContact O-N 3.48Å; T998-V1001 PolarHBondContact O-N 3.1Å; T998-I1002 HydrophobicContact CG2-CD1 3.95Å; T998-I1002 WeakPolarHBondContact O-CG1 3.41Å; T998-I1002 PolarHBondContact O-N 3.02Å; T998-I1002 VanDerWaalsContact O-N 3.1Å; T998-Y1030 VanDerWaalsContact CA-OH 3.32Å; T998-Y1030 WeakPolarHBondContact CA-OH 3.43Å; T998-Y1030 HydrophobicContact CG2-CE1 4.27Å; T998-Y1030 PolarHBondContact N-OH 3.13Å; T998-Y1030 PolarHBondContact OG1-OH 3.46Å; T998-Y1030 VanDerWaalsContact OG1-OH 3.11Å; T998-F1031 HydrophobicContact CG2-CE1 4.07Å; T998-F1031 HydrophobicContact CG2-CZ 4.05Å; T998-L1060 HydrophobicContact CG2-CD2 4.43Å; T998-I1069 HydrophobicContact CG2-CD1 4.03Å |
| 999 | T | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62 | -45.2 | 177.7 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | L967 T995 I996 V1001 I1002 V1003 I1069 T1072 | L967-T999 HydrophobicContact CD2-CG2 3.69Å; T995-T999 WeakPolarHBondContact O-CB 3.38Å; T995-T999 PolarHBondContact O-N 2.81Å; T995-T999 PolarHBondContact O-OG1 3.34Å; I996-T999 PolarHBondContact O-N 2.94Å; T999-V1001 PolarHBondContact O-N 3.47Å; T999-I1002 PolarHBondContact O-N 3.26Å; T999-V1003 HydrophobicContact CG2-CG2 4.2Å; T999-V1003 WeakPolarHBondContact O-CB 3.42Å; T999-V1003 VanDerWaalsContact O-CG2 3.3Å; T999-V1003 WeakPolarHBondContact O-CG2 3.28Å; T999-V1003 PolarHBondContact O-N 3.4Å; T999-I1069 WeakPolarHBondContact OG1-CG1 3.34Å; T999-T1072 HydrophobicContact CG2-CG2 3.57Å |
| 1000 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59 | -48.8 | 178.1 | 171.8 | 69.8 | 0 | 0 | 0 | 111.4 | A880 F881 F904 F908 L967 I996 A997 I1002 V1003 V1004 | A880-L1000 HydrophobicContact CB-CD1 4.36Å; F881-L1000 HydrophobicContact CB-CD1 4.49Å; F881-L1000 HydrophobicContact CB-CD2 3.89Å; F881-L1000 HydrophobicContact CD2-CD2 3.51Å; F881-L1000 HydrophobicContact CG-CD2 4.15Å; F904-L1000 HydrophobicContact CE1-CD2 4.24Å; F904-L1000 HydrophobicContact CZ-CD2 4.29Å; F908-L1000 HydrophobicContact CD2-CD2 4.28Å; F908-L1000 HydrophobicContact CE2-CD2 3.68Å; F908-L1000 HydrophobicContact CE2-CG 3.98Å; F908-L1000 HydrophobicContact CZ-CD2 3.96Å; F908-L1000 HydrophobicContact CZ-CG 4.25Å; L967-L1000 HydrophobicContact CD1-CB 4.31Å; L967-L1000 HydrophobicContact CD1-CD1 3.51Å; L967-L1000 HydrophobicContact CD1-CG 4.5Å; I996-L1000 WeakPolarHBondContact O-CB 3.39Å; I996-L1000 PolarHBondContact O-N 3Å; A997-L1000 PolarHBondContact O-N 2.83Å; L1000-I1002 VanDerWaalsContact C-N 3.3Å; L1000-I1002 PolarHBondContact O-N 3.1Å; L1000-V1003 PolarHBondContact O-N 3.03Å; L1000-V1004 HydrophobicContact CD1-CG2 3.72Å; L1000-V1004 HydrophobicContact CG-CG2 4.35Å; L1000-V1004 VanDerWaalsContact O-CB 3.27Å; L1000-V1004 WeakPolarHBondContact O-CB 3.34Å; L1000-V1004 VanDerWaalsContact O-CG2 3.23Å; L1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; L1000-V1004 PolarHBondContact O-N 3.29Å |
| 1001 | V | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | -179.8 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F904 F908 A997 T998 T999 S1005 L1027 Y1030 | F904-V1001 HydrophobicContact CE2-CG2 3.84Å; F904-V1001 HydrophobicContact CZ-CG2 3.91Å; F908-V1001 HydrophobicContact CD2-CG2 4.47Å; F908-V1001 HydrophobicContact CE2-CG2 4.43Å; A997-V1001 WeakPolarHBondContact O-CG2 3.44Å; A997-V1001 PolarHBondContact O-N 2.9Å; A997-V1001 VanDerWaalsContact O-N 3.12Å; T998-V1001 PolarHBondContact O-N 3.1Å; T999-V1001 PolarHBondContact O-N 3.47Å; V1001-S1005 WeakPolarHBondContact O-CB 3.38Å; V1001-S1005 PolarHBondContact O-N 2.62Å; V1001-S1005 PolarHBondContact O-OG 2.98Å; V1001-L1027 HydrophobicContact CG1-CD2 3.88Å; V1001-Y1030 HydrophobicContact CB-CD1 4.48Å; V1001-Y1030 HydrophobicContact CB-CE1 4.44Å; V1001-Y1030 HydrophobicContact CG1-CD1 4.08Å; V1001-Y1030 HydrophobicContact CG1-CG 4.09Å; V1001-Y1030 HydrophobicContact CG2-CD2 4.15Å; V1001-Y1030 HydrophobicContact CG2-CE2 4.05Å; V1001-Y1030 HydrophobicContact CG2-CG 4.45Å |
| 1002 | I | 94.1 | Very high | 92 | Very high | 34 Ų | 34 | 14.6 Ų | 14.6 | 17% | 0.174 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.7 | -49.6 | 177.2 | -68.4 | 168.6 | 0 | 0 | 0 | 111.1 | T998 T999 L1000 V1004 S1005 V1006 I1069 T1073 | T998-I1002 HydrophobicContact CG2-CD1 3.95Å; T998-I1002 WeakPolarHBondContact O-CG1 3.41Å; T998-I1002 PolarHBondContact O-N 3.02Å; T998-I1002 VanDerWaalsContact O-N 3.1Å; T999-I1002 PolarHBondContact O-N 3.26Å; L1000-I1002 VanDerWaalsContact C-N 3.3Å; L1000-I1002 PolarHBondContact O-N 3.1Å; I1002-V1004 PolarHBondContact O-N 3.27Å; I1002-S1005 PolarHBondContact O-N 3.05Å; I1002-S1005 VanDerWaalsContact O-N 3.17Å; I1002-V1006 HydrophobicContact CG2-CG2 4.28Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.37Å; I1002-V1006 PolarHBondContact O-N 3.48Å; I1002-I1069 HydrophobicContact CD1-CG2 3.68Å; I1002-T1073 HydrophobicContact CG2-CG2 4.15Å |
| 1003 | V | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57 | -49.4 | 179.5 | 167 | 0 | 0 | 0 | 0 | 111.2 | T963 L967 T999 L1000 S1005 V1006 Q1007 T1073 C1076 | T963-V1003 HydrophobicContact CG2-CG1 3.96Å; L967-V1003 HydrophobicContact CD2-CG2 4.14Å; T999-V1003 HydrophobicContact CG2-CG2 4.2Å; T999-V1003 WeakPolarHBondContact O-CB 3.42Å; T999-V1003 VanDerWaalsContact O-CG2 3.3Å; T999-V1003 WeakPolarHBondContact O-CG2 3.28Å; T999-V1003 PolarHBondContact O-N 3.4Å; L1000-V1003 PolarHBondContact O-N 3.03Å; V1003-S1005 VanDerWaalsContact C-N 3.31Å; V1003-S1005 PolarHBondContact O-N 2.88Å; V1003-V1006 PolarHBondContact O-N 2.69Å; V1003-Q1007 VanDerWaalsContact O-CB 3.32Å; V1003-Q1007 WeakPolarHBondContact O-CB 3.47Å; V1003-Q1007 PolarHBondContact O-N 3.47Å; V1003-T1073 HydrophobicContact CG2-CG2 4.21Å; V1003-C1076 HydrophobicContact CG1-CB 4.09Å; V1003-C1076 HydrophobicContact CG2-CB 4.36Å |
| 1004 | V | 93.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 179.9 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | Y873 K877 T913 L1000 I1002 Q1007 I1008 | Y873-V1004 WeakPolarHBondContact OH-CG1 3.4Å; Y873-V1004 PolarHBondContact OH-O 3.19Å; K877-V1004 HydrophobicContact CB-CG1 3.85Å; K877-V1004 HydrophobicContact CB-CG2 4.38Å; T913-V1004 HydrophobicContact CG2-CG1 4.09Å; L1000-V1004 HydrophobicContact CD1-CG2 3.72Å; L1000-V1004 HydrophobicContact CG-CG2 4.35Å; L1000-V1004 VanDerWaalsContact O-CB 3.27Å; L1000-V1004 WeakPolarHBondContact O-CB 3.34Å; L1000-V1004 VanDerWaalsContact O-CG2 3.23Å; L1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; L1000-V1004 PolarHBondContact O-N 3.29Å; I1002-V1004 PolarHBondContact O-N 3.27Å; V1004-Q1007 PolarHBondContact O-N 3.24Å; V1004-I1008 WeakPolarHBondContact O-CG2 3.5Å; V1004-I1008 PolarHBondContact O-N 3.47Å; V1004-I1008 VanDerWaalsContact O-N 3.1Å |
| 1005 | S | 93.6 | Very high | 91.9 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.1 | -42 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 113.1 | V1001 I1002 V1003 Q1007 I1008 G1009 M1023 | V1001-S1005 WeakPolarHBondContact O-CB 3.38Å; V1001-S1005 PolarHBondContact O-N 2.62Å; V1001-S1005 PolarHBondContact O-OG 2.98Å; I1002-S1005 PolarHBondContact O-N 3.05Å; I1002-S1005 VanDerWaalsContact O-N 3.17Å; V1003-S1005 VanDerWaalsContact C-N 3.31Å; V1003-S1005 PolarHBondContact O-N 2.88Å; S1005-Q1007 VanDerWaalsContact C-N 3.35Å; S1005-I1008 WeakPolarHBondContact O-CG2 3.1Å; S1005-G1009 PolarHBondContact O-N 2.98Å; S1005-M1023 WeakPolarHBondContact O-CE 3.5Å |
| 1006 | V | 93.1 | Very high | 91.8 | Very high | 64 Ų | 64 | 28.6 Ų | 28.6 | 39% | 0.388 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68.3 | -39.8 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | I1002 V1003 I1008 G1009 L1010 T1073 I1077 | I1002-V1006 HydrophobicContact CG2-CG2 4.28Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.37Å; I1002-V1006 PolarHBondContact O-N 3.48Å; V1003-V1006 PolarHBondContact O-N 2.69Å; V1006-I1008 PolarHBondContact O-N 2.94Å; V1006-G1009 WeakPolarHBondContact O-CA 3.45Å; V1006-G1009 PolarHBondContact O-N 3.42Å; V1006-G1009 VanDerWaalsContact O-N 3.13Å; V1006-L1010 HydrophobicContact CG1-CD1 4.39Å; V1006-L1010 WeakPolarHBondContact O-CG 3.35Å; V1006-L1010 PolarHBondContact O-N 3.37Å; V1006-T1073 HydrophobicContact CG2-CG2 4.5Å; V1006-I1077 HydrophobicContact CB-CD1 3.5Å; V1006-I1077 VanDerWaalsContact CB-CD1 3.5Å; V1006-I1077 HydrophobicContact CG1-CD1 3.38Å; V1006-I1077 HydrophobicContact CG2-CD1 4.42Å |
| 1007 | Q | 92.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 177.6 | -176.2 | 62.4 | 37.6 | 0 | 0 | 112.2 | Y873 Y876 V1003 V1004 S1005 G1009 L1010 D1011 | Y873-Q1007 HydrophobicContact CE2-CB 4.33Å; Y873-Q1007 HydrophobicContact CE2-CG 4.14Å; Y876-Q1007 HydrophobicContact CD1-CG 4.29Å; Y876-Q1007 HydrophobicContact CE1-CB 4.2Å; Y876-Q1007 HydrophobicContact CE1-CG 3.64Å; V1003-Q1007 VanDerWaalsContact O-CB 3.32Å; V1003-Q1007 WeakPolarHBondContact O-CB 3.47Å; V1003-Q1007 PolarHBondContact O-N 3.47Å; V1004-Q1007 PolarHBondContact O-N 3.24Å; S1005-Q1007 VanDerWaalsContact C-N 3.35Å; Q1007-G1009 VanDerWaalsContact C-N 3.26Å; Q1007-G1009 PolarHBondContact O-N 2.93Å; Q1007-L1010 PolarHBondContact O-N 2.85Å; Q1007-L1010 VanDerWaalsContact O-N 3.1Å; Q1007-D1011 PolarHBondContact NE2-OD1 3.49Å; Q1007-D1011 PolarHBondContact NE2-OD2 2.99Å; Q1007-D1011 VanDerWaalsContact NE2-OD2 3.1Å; Q1007-D1011 VanDerWaalsContact O-CG 3.3Å; Q1007-D1011 PolarHBondContact O-N 3.1Å |
| 1008 | I | 92.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.1 | -32.5 | 176.6 | -171.4 | 167.7 | 0 | 0 | 0 | 112.5 | Y873 P916 V917 M920 V1004 S1005 V1006 L1010 D1011 T1012 M1023 | Y873-I1008 HydrophobicContact CD1-CD1 4.33Å; Y873-I1008 HydrophobicContact CD2-CB 4.26Å; Y873-I1008 HydrophobicContact CE1-CB 4.21Å; Y873-I1008 HydrophobicContact CE1-CD1 3.95Å; Y873-I1008 HydrophobicContact CE1-CG1 4.43Å; Y873-I1008 HydrophobicContact CE2-CB 3.55Å; Y873-I1008 HydrophobicContact CE2-CG1 4.32Å; Y873-I1008 WeakPolarHBondContact OH-CB 3.5Å; P916-I1008 VanDerWaalsContact C-CD1 3.5Å; P916-I1008 HydrophobicContact CB-CD1 3.87Å; P916-I1008 HydrophobicContact CB-CG2 4.49Å; P916-I1008 WeakPolarHBondContact O-CD1 3.32Å; V917-I1008 HydrophobicContact CB-CD1 4.38Å; V917-I1008 HydrophobicContact CG2-CD1 3.81Å; M920-I1008 HydrophobicContact CB-CD1 4.12Å; M920-I1008 HydrophobicContact CB-CG1 4.41Å; V1004-I1008 WeakPolarHBondContact O-CG2 3.5Å; V1004-I1008 PolarHBondContact O-N 3.47Å; V1004-I1008 VanDerWaalsContact O-N 3.1Å; S1005-I1008 WeakPolarHBondContact O-CG2 3.1Å; V1006-I1008 PolarHBondContact O-N 2.94Å; I1008-L1010 VanDerWaalsContact C-N 3.29Å; I1008-L1010 PolarHBondContact O-N 2.93Å; I1008-D1011 PolarHBondContact O-N 2.84Å; I1008-T1012 WeakPolarHBondContact O-CB 3.39Å; I1008-T1012 PolarHBondContact O-N 3.26Å; I1008-T1012 PolarHBondContact O-OG1 3.36Å; I1008-M1023 HydrophobicContact CG2-CE 3.45Å; I1008-M1023 VanDerWaalsContact CG2-CE 3.45Å; I1008-M1023 HydrophobicContact CG2-SD 3.47Å; I1008-M1023 WeakPolarHBondContact CG2-SD 3.49Å |
| 1009 | G | 91.4 | Very high | 91.5 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1005 V1006 Q1007 W1015 | S1005-G1009 PolarHBondContact O-N 2.98Å; V1006-G1009 WeakPolarHBondContact O-CA 3.45Å; V1006-G1009 PolarHBondContact O-N 3.42Å; V1006-G1009 VanDerWaalsContact O-N 3.13Å; Q1007-G1009 VanDerWaalsContact C-N 3.26Å; Q1007-G1009 PolarHBondContact O-N 2.93Å; G1009-W1015 VanDerWaalsContact CA-CZ2 3.49Å; G1009-W1015 WeakPolarHBondContact O-CZ2 3.3Å |
| 1010 | L | 89.9 | Confident | 91.3 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 43% | 0.429 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -72.6 | -36.9 | 176.3 | -66.5 | 174.7 | 0 | 0 | 0 | 112.7 | V1006 Q1007 I1008 T1012 I1077 L1081 | V1006-L1010 HydrophobicContact CG1-CD1 4.39Å; V1006-L1010 WeakPolarHBondContact O-CG 3.35Å; V1006-L1010 PolarHBondContact O-N 3.37Å; Q1007-L1010 PolarHBondContact O-N 2.85Å; Q1007-L1010 VanDerWaalsContact O-N 3.1Å; I1008-L1010 VanDerWaalsContact C-N 3.29Å; I1008-L1010 PolarHBondContact O-N 2.93Å; L1010-T1012 VanDerWaalsContact C-N 3.3Å; L1010-T1012 PolarHBondContact O-N 3.04Å; L1010-I1077 HydrophobicContact CD1-CG2 3.32Å; L1010-L1081 HydrophobicContact CD1-CD1 4.27Å; L1010-L1081 HydrophobicContact CD2-CD1 4.28Å |
| 1011 | D | 88.3 | Confident | 91.3 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.3 | -19.5 | -179.9 | -64.7 | -23 | 0 | 0 | 0 | 112.6 | M920 Q1007 I1008 H1013 | M920-D1011 HydrophobicContact CE-CB 3.97Å; Q1007-D1011 PolarHBondContact NE2-OD1 3.49Å; Q1007-D1011 PolarHBondContact NE2-OD2 2.99Å; Q1007-D1011 VanDerWaalsContact NE2-OD2 3.1Å; Q1007-D1011 VanDerWaalsContact O-CG 3.3Å; Q1007-D1011 PolarHBondContact O-N 3.1Å; I1008-D1011 PolarHBondContact O-N 2.84Å; D1011-H1013 PolarHBondContact O-N 3.33Å |
| 1012 | T | 90.2 | Very high | 91.3 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | trans | -75.2 | 119.8 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | I1008 L1010 | I1008-T1012 WeakPolarHBondContact O-CB 3.39Å; I1008-T1012 PolarHBondContact O-N 3.26Å; I1008-T1012 PolarHBondContact O-OG1 3.36Å; L1010-T1012 VanDerWaalsContact C-N 3.3Å; L1010-T1012 PolarHBondContact O-N 3.04Å | ||
| 1013 | H | 86.9 | Confident | 91.1 | Very high | 75 Ų | 75 | 46.9 Ų | 46.9 | 35% | 0.347 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -84.7 | -35.3 | -178.5 | -66.7 | -65 | 0 | 0 | 0 | 113.9 | F865 D924 D1011 R1099 | F865-H1013 AromaticContact CZ-CD2 3.48Å; F865-H1013 VanDerWaalsContact CZ-CD2 3.48Å; F865-H1013 WeakPolarHBondContact CZ-CD2 3.42Å; F865-H1013 AromaticContact CZ-NE2 3.79Å; D924-H1013 PolarHBondContact OD1-N 3.37Å; D924-H1013 VanDerWaalsContact OD1-N 3.13Å; D924-H1013 IonicContact OD2-CD2 3.92Å; D1011-H1013 PolarHBondContact O-N 3.33Å; H1013-R1099 PolarHBondContact ND1-NH1 2.93Å; H1013-R1099 PolarHBondContact O-NH2 2.92Å |
| 1014 | Y | 87.8 | Confident | 91 | Very high | 105 Ų | 105 | 54.5 Ų | 54.5 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -117.1 | 109.5 | -179.6 | -173.4 | -115.9 | 0 | 0 | 0 | 112 | D924 Q925 T1016 N1019 | D924-Y1014 PolarHBondContact OD1-N 3.43Å; Q925-Y1014 HydrophobicContact CB-CD1 4.27Å; Q925-Y1014 HydrophobicContact CB-CG 4.25Å; Q925-Y1014 HydrophobicContact CG-CD1 4.4Å; Q925-Y1014 WeakPolarHBondContact O-CB 3.37Å; Y1014-T1016 HydrophobicContact CD1-CG2 3.54Å; Y1014-T1016 HydrophobicContact CE1-CG2 3.37Å; Y1014-T1016 PolarHBondContact O-N 3Å; Y1014-N1019 PolarHBondContact O-ND2 3.45Å |
| 1015 | W | 89.6 | Confident | 91 | Very high | 110 Ų | 110 | 55.6 Ų | 55.6 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | trans | -86 | 113 | -179.7 | -78.7 | 93.8 | 0 | 0 | 0 | 111.7 | G1009 N1019 H1020 M1023 | G1009-W1015 VanDerWaalsContact CA-CZ2 3.49Å; G1009-W1015 WeakPolarHBondContact O-CZ2 3.3Å; W1015-N1019 HydrophobicContact CE3-CB 4.25Å; W1015-H1020 AromaticContact CD2-CE1 3.75Å; W1015-H1020 AromaticContact CE3-CE1 3.16Å; W1015-H1020 AromaticContact CE3-ND1 3.23Å; W1015-H1020 AromaticContact CZ3-CE1 3.81Å; W1015-H1020 AromaticContact CZ3-ND1 3.77Å; W1015-M1023 HydrophobicContact CH2-CG 4.42Å; W1015-M1023 HydrophobicContact CZ3-CG 4.16Å | ||
| 1016 | T | 89.3 | Confident | 91 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | trans | -104.7 | 165.5 | 172.8 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | Y1014 V1018 N1019 H1020 | Y1014-T1016 HydrophobicContact CD1-CG2 3.54Å; Y1014-T1016 HydrophobicContact CE1-CG2 3.37Å; Y1014-T1016 PolarHBondContact O-N 3Å; T1016-V1018 PolarHBondContact O-N 3.29Å; T1016-N1019 PolarHBondContact O-N 3.32Å; T1016-N1019 VanDerWaalsContact OG1-CG 3.23Å; T1016-N1019 PolarHBondContact OG1-N 3.17Å; T1016-N1019 VanDerWaalsContact OG1-N 3.09Å; T1016-N1019 PolarHBondContact OG1-ND2 2.96Å; T1016-H1020 PolarHBondContact O-N 3.05Å; T1016-H1020 PolarHBondContact O-ND1 3.24Å; T1016-H1020 VanDerWaalsContact O-ND1 3.12Å | ||
| 1017 | A | 91.2 | Very high | 91 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 71% | 0.711 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -60.1 | -34.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1020 L1021 | A1017-H1020 PolarHBondContact O-N 3.45Å; A1017-L1021 WeakPolarHBondContact O-CB 3.43Å; A1017-L1021 PolarHBondContact O-N 3.04Å |
| 1018 | V | 90.6 | Very high | 91 | Very high | 52 Ų | 52 | 58.7 Ų | 58.7 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 175.9 | -178 | 0 | 0 | 0 | 0 | 110.8 | F923 T1016 H1020 L1021 F1022 | F923-V1018 HydrophobicContact CD2-CB 4.43Å; F923-V1018 HydrophobicContact CD2-CG1 4Å; F923-V1018 HydrophobicContact CE2-CB 4.39Å; F923-V1018 HydrophobicContact CE2-CG1 3.65Å; F923-V1018 HydrophobicContact CZ-CG1 4.26Å; T1016-V1018 PolarHBondContact O-N 3.29Å; V1018-H1020 VanDerWaalsContact C-N 3.31Å; V1018-H1020 PolarHBondContact O-N 3.13Å; V1018-L1021 PolarHBondContact O-N 2.88Å; V1018-F1022 HydrophobicContact CG1-CD2 3.96Å; V1018-F1022 HydrophobicContact CG1-CE1 4.27Å; V1018-F1022 HydrophobicContact CG1-CE2 3.66Å; V1018-F1022 HydrophobicContact CG1-CG 4.37Å; V1018-F1022 HydrophobicContact CG1-CZ 3.83Å; V1018-F1022 PolarHBondContact O-N 3.29Å |
| 1019 | N | 89.8 | Confident | 91 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 175.6 | -69.1 | -12.4 | 0 | 0 | 0 | 110.9 | A919 Y1014 W1015 T1016 M1023 | A919-N1019 WeakPolarHBondContact CB-OD1 3.32Å; A919-N1019 PolarHBondContact O-OD1 3.47Å; Y1014-N1019 PolarHBondContact O-ND2 3.45Å; W1015-N1019 HydrophobicContact CE3-CB 4.25Å; T1016-N1019 PolarHBondContact O-N 3.32Å; T1016-N1019 VanDerWaalsContact OG1-CG 3.23Å; T1016-N1019 PolarHBondContact OG1-N 3.17Å; T1016-N1019 VanDerWaalsContact OG1-N 3.09Å; T1016-N1019 PolarHBondContact OG1-ND2 2.96Å; N1019-M1023 VanDerWaalsContact O-CB 3.25Å; N1019-M1023 WeakPolarHBondContact O-CB 3.42Å; N1019-M1023 WeakPolarHBondContact O-CG 3.07Å; N1019-M1023 PolarHBondContact O-N 3.47Å |
| 1020 | H | 90.6 | Very high | 91.1 | Very high | 85 Ų | 85 | 61.1 Ų | 61.1 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 174.3 | -77.4 | 48.3 | 0 | 0 | 0 | 111.8 | W1015 T1016 A1017 V1018 F1022 M1023 W1024 | W1015-H1020 AromaticContact CD2-CE1 3.75Å; W1015-H1020 AromaticContact CE3-CE1 3.16Å; W1015-H1020 AromaticContact CE3-ND1 3.23Å; W1015-H1020 AromaticContact CZ3-CE1 3.81Å; W1015-H1020 AromaticContact CZ3-ND1 3.77Å; T1016-H1020 PolarHBondContact O-N 3.05Å; T1016-H1020 PolarHBondContact O-ND1 3.24Å; T1016-H1020 VanDerWaalsContact O-ND1 3.12Å; A1017-H1020 PolarHBondContact O-N 3.45Å; V1018-H1020 VanDerWaalsContact C-N 3.31Å; V1018-H1020 PolarHBondContact O-N 3.13Å; H1020-F1022 VanDerWaalsContact C-N 3.35Å; H1020-F1022 PolarHBondContact O-N 2.91Å; H1020-M1023 PolarHBondContact O-N 3.39Å; H1020-W1024 PolarHBondContact O-N 3.33Å |
| 1021 | L | 93.6 | Very high | 91.2 | Very high | 119 Ų | 119 | 59.7 Ų | 59.7 | 62% | 0.623 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.2 | -45.3 | -179.3 | -178.6 | 67.6 | 0 | 0 | 0 | 111.7 | A1017 V1018 G1025 | A1017-L1021 WeakPolarHBondContact O-CB 3.43Å; A1017-L1021 PolarHBondContact O-N 3.04Å; V1018-L1021 PolarHBondContact O-N 2.88Å; L1021-G1025 VanDerWaalsContact O-CA 3.24Å; L1021-G1025 WeakPolarHBondContact O-CA 3.36Å; L1021-G1025 PolarHBondContact O-N 2.86Å |
| 1022 | F | 93.5 | Very high | 91.4 | Very high | 62 Ų | 62 | 60 Ų | 60 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.9 | -36.9 | -178.2 | -70 | -3.6 | 0 | 0 | 0 | 112.3 | L915 A919 V1018 H1020 S1026 | L915-F1022 HydrophobicContact CB-CB 4.29Å; L915-F1022 HydrophobicContact CB-CD2 4.43Å; L915-F1022 HydrophobicContact CB-CG 4.32Å; A919-F1022 HydrophobicContact CB-CB 4.17Å; A919-F1022 HydrophobicContact CB-CD2 3.62Å; A919-F1022 HydrophobicContact CB-CG 4.37Å; V1018-F1022 HydrophobicContact CG1-CD2 3.96Å; V1018-F1022 HydrophobicContact CG1-CE1 4.27Å; V1018-F1022 HydrophobicContact CG1-CE2 3.66Å; V1018-F1022 HydrophobicContact CG1-CG 4.37Å; V1018-F1022 HydrophobicContact CG1-CZ 3.83Å; V1018-F1022 PolarHBondContact O-N 3.29Å; H1020-F1022 VanDerWaalsContact C-N 3.35Å; H1020-F1022 PolarHBondContact O-N 2.91Å; F1022-S1026 VanDerWaalsContact O-CB 3.23Å; F1022-S1026 WeakPolarHBondContact O-CB 3.4Å; F1022-S1026 PolarHBondContact O-N 3.4Å |
| 1023 | M | 91.1 | Very high | 91.4 | Very high | 15 Ų | 15 | 61.6 Ų | 61.6 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -59.1 | 174.7 | -76.6 | -58.3 | -55.3 | 0 | 0 | 112.2 | P916 S1005 I1008 W1015 N1019 H1020 S1026 L1027 | P916-M1023 HydrophobicContact CB-SD 3.57Å; P916-M1023 VanDerWaalsContact CB-SD 3.57Å; P916-M1023 HydrophobicContact CG-SD 4.07Å; S1005-M1023 WeakPolarHBondContact O-CE 3.5Å; I1008-M1023 HydrophobicContact CG2-CE 3.45Å; I1008-M1023 VanDerWaalsContact CG2-CE 3.45Å; I1008-M1023 HydrophobicContact CG2-SD 3.47Å; I1008-M1023 WeakPolarHBondContact CG2-SD 3.49Å; W1015-M1023 HydrophobicContact CH2-CG 4.42Å; W1015-M1023 HydrophobicContact CZ3-CG 4.16Å; N1019-M1023 VanDerWaalsContact O-CB 3.25Å; N1019-M1023 WeakPolarHBondContact O-CB 3.42Å; N1019-M1023 WeakPolarHBondContact O-CG 3.07Å; N1019-M1023 PolarHBondContact O-N 3.47Å; H1020-M1023 PolarHBondContact O-N 3.39Å; M1023-S1026 PolarHBondContact O-N 2.89Å; M1023-L1027 PolarHBondContact O-N 3.5Å |
| 1024 | W | 93.1 | Very high | 91.5 | Very high | 160 Ų | 160 | 58.8 Ų | 58.8 | 61% | 0.606 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -70.1 | -37.3 | -178.2 | -61.7 | 117.4 | 0 | 0 | 0 | 111.8 | H1020 S1026 L1027 I1028 | H1020-W1024 PolarHBondContact O-N 3.33Å; W1024-S1026 VanDerWaalsContact C-N 3.34Å; W1024-S1026 PolarHBondContact O-N 2.9Å; W1024-L1027 HydrophobicContact CE3-CD1 4Å; W1024-L1027 HydrophobicContact CZ3-CD1 4.15Å; W1024-L1027 PolarHBondContact O-N 3.44Å; W1024-I1028 VanDerWaalsContact O-CG1 3.3Å; W1024-I1028 WeakPolarHBondContact O-CG1 3.43Å; W1024-I1028 PolarHBondContact O-N 3.48Å |
| 1025 | G | 92.8 | Very high | 91.6 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1021 L1027 I1028 V1029 | L1021-G1025 VanDerWaalsContact O-CA 3.24Å; L1021-G1025 WeakPolarHBondContact O-CA 3.36Å; L1021-G1025 PolarHBondContact O-N 2.86Å; G1025-L1027 PolarHBondContact O-N 2.93Å; G1025-I1028 PolarHBondContact O-N 3.25Å; G1025-V1029 WeakPolarHBondContact O-CB 3.49Å; G1025-V1029 VanDerWaalsContact O-CG2 3.23Å; G1025-V1029 WeakPolarHBondContact O-CG2 3.45Å; G1025-V1029 PolarHBondContact O-N 2.87Å |
| 1026 | S | 93.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 178.3 | -152.4 | 0 | 0 | 0 | 0 | 112.5 | Y912 F1022 M1023 W1024 V1029 Y1030 | Y912-S1026 VanDerWaalsContact C-OG 3.27Å; Y912-S1026 PolarHBondContact O-OG 3.21Å; F1022-S1026 VanDerWaalsContact O-CB 3.23Å; F1022-S1026 WeakPolarHBondContact O-CB 3.4Å; F1022-S1026 PolarHBondContact O-N 3.4Å; M1023-S1026 PolarHBondContact O-N 2.89Å; W1024-S1026 VanDerWaalsContact C-N 3.34Å; W1024-S1026 PolarHBondContact O-N 2.9Å; S1026-V1029 PolarHBondContact O-N 3.03Å; S1026-Y1030 WeakPolarHBondContact O-CB 3.42Å; S1026-Y1030 PolarHBondContact O-N 2.78Å |
| 1027 | L | 92.8 | Very high | 91.1 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 174.7 | -74 | 170.3 | 0 | 0 | 0 | 112.1 | V1001 M1023 W1024 G1025 Y1030 F1031 | V1001-L1027 HydrophobicContact CG1-CD2 3.88Å; M1023-L1027 PolarHBondContact O-N 3.5Å; W1024-L1027 HydrophobicContact CE3-CD1 4Å; W1024-L1027 HydrophobicContact CZ3-CD1 4.15Å; W1024-L1027 PolarHBondContact O-N 3.44Å; G1025-L1027 PolarHBondContact O-N 2.93Å; L1027-Y1030 WeakPolarHBondContact O-CB 3.39Å; L1027-Y1030 PolarHBondContact O-N 3.16Å; L1027-F1031 VanDerWaalsContact O-CD2 3.24Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.49Å; L1027-F1031 PolarHBondContact O-N 3.05Å; L1027-F1031 VanDerWaalsContact O-N 3.11Å |
| 1028 | I | 93.6 | Very high | 90.8 | Very high | 119 Ų | 119 | 52.1 Ų | 52.1 | 61% | 0.61 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.9 | -45.3 | 177.3 | -68.1 | 165.2 | 0 | 0 | 0 | 110.5 | W1024 G1025 Y1030 F1031 A1032 | W1024-I1028 VanDerWaalsContact O-CG1 3.3Å; W1024-I1028 WeakPolarHBondContact O-CG1 3.43Å; W1024-I1028 PolarHBondContact O-N 3.48Å; G1025-I1028 PolarHBondContact O-N 3.25Å; I1028-Y1030 VanDerWaalsContact C-N 3.31Å; I1028-Y1030 PolarHBondContact O-N 3Å; I1028-F1031 PolarHBondContact O-N 3.46Å; I1028-A1032 WeakPolarHBondContact O-CB 3.37Å; I1028-A1032 PolarHBondContact O-N 3.41Å |
| 1029 | V | 92.8 | Very high | 90.5 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 38% | 0.376 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 177.6 | 168.1 | 0 | 0 | 0 | 0 | 111 | V911 G1025 S1026 A1032 I1033 | V911-V1029 HydrophobicContact CG1-CG1 3.97Å; G1025-V1029 WeakPolarHBondContact O-CB 3.49Å; G1025-V1029 VanDerWaalsContact O-CG2 3.23Å; G1025-V1029 WeakPolarHBondContact O-CG2 3.45Å; G1025-V1029 PolarHBondContact O-N 2.87Å; S1026-V1029 PolarHBondContact O-N 3.03Å; V1029-A1032 PolarHBondContact O-N 3.44Å; V1029-I1033 HydrophobicContact CG1-CD1 3.59Å; V1029-I1033 HydrophobicContact CG1-CG1 4.3Å; V1029-I1033 WeakPolarHBondContact O-CB 3.34Å; V1029-I1033 VanDerWaalsContact O-CG1 3.3Å; V1029-I1033 WeakPolarHBondContact O-CG1 3.47Å; V1029-I1033 PolarHBondContact O-N 3.34Å |
| 1030 | Y | 93.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.9 | -52.8 | 174.4 | 166.9 | -107.1 | 0 | 0 | 0 | 112 | F904 Y912 T998 V1001 S1026 L1027 I1028 A1032 I1033 L1034 | F904-Y1030 AromaticContact CD2-CE2 4Å; F904-Y1030 HydrophobicContact CD2-CE2 4Å; F904-Y1030 HydrophobicContact CE2-CD2 4.44Å; F904-Y1030 AromaticContact CE2-CE2 3.64Å; F904-Y1030 HydrophobicContact CE2-CE2 3.64Å; Y912-Y1030 HydrophobicContact CD1-CD2 4.03Å; Y912-Y1030 AromaticContact CD2-CD2 3.92Å; Y912-Y1030 HydrophobicContact CD2-CD2 3.92Å; Y912-Y1030 HydrophobicContact CD2-CE2 4.42Å; Y912-Y1030 HydrophobicContact CE1-CD2 4.05Å; Y912-Y1030 AromaticContact CE2-CD2 3.96Å; Y912-Y1030 HydrophobicContact CE2-CD2 3.96Å; Y912-Y1030 HydrophobicContact CE2-CE2 4.28Å; Y912-Y1030 AromaticContact CG-CD2 3.98Å; Y912-Y1030 HydrophobicContact CG-CD2 3.98Å; T998-Y1030 VanDerWaalsContact CA-OH 3.32Å; T998-Y1030 WeakPolarHBondContact CA-OH 3.43Å; T998-Y1030 HydrophobicContact CG2-CE1 4.27Å; T998-Y1030 PolarHBondContact N-OH 3.13Å; T998-Y1030 PolarHBondContact OG1-OH 3.46Å; T998-Y1030 VanDerWaalsContact OG1-OH 3.11Å; V1001-Y1030 HydrophobicContact CB-CD1 4.48Å; V1001-Y1030 HydrophobicContact CB-CE1 4.44Å; V1001-Y1030 HydrophobicContact CG1-CD1 4.08Å; V1001-Y1030 HydrophobicContact CG1-CG 4.09Å; V1001-Y1030 HydrophobicContact CG2-CD2 4.15Å; V1001-Y1030 HydrophobicContact CG2-CE2 4.05Å; V1001-Y1030 HydrophobicContact CG2-CG 4.45Å; S1026-Y1030 WeakPolarHBondContact O-CB 3.42Å; S1026-Y1030 PolarHBondContact O-N 2.78Å; L1027-Y1030 WeakPolarHBondContact O-CB 3.39Å; L1027-Y1030 PolarHBondContact O-N 3.16Å; I1028-Y1030 VanDerWaalsContact C-N 3.31Å; I1028-Y1030 PolarHBondContact O-N 3Å; Y1030-A1032 VanDerWaalsContact C-N 3.34Å; Y1030-A1032 PolarHBondContact O-N 3.07Å; Y1030-I1033 PolarHBondContact O-N 2.97Å; Y1030-L1034 HydrophobicContact CE1-CD2 4.33Å; Y1030-L1034 VanDerWaalsContact O-CB 3.3Å; Y1030-L1034 WeakPolarHBondContact O-CB 3.5Å; Y1030-L1034 PolarHBondContact O-N 3.22Å |
| 1031 | F | 92.3 | Very high | 89.3 | Confident | 52 Ų | 52 | 55.3 Ų | 55.3 | 23% | 0.228 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 178.6 | -76.7 | -68.6 | 0 | 0 | 0 | 112 | T998 L1027 I1028 I1033 L1034 F1035 L1060 W1066 | T998-F1031 HydrophobicContact CG2-CE1 4.07Å; T998-F1031 HydrophobicContact CG2-CZ 4.05Å; L1027-F1031 VanDerWaalsContact O-CD2 3.24Å; L1027-F1031 WeakPolarHBondContact O-CD2 3.49Å; L1027-F1031 PolarHBondContact O-N 3.05Å; L1027-F1031 VanDerWaalsContact O-N 3.11Å; I1028-F1031 PolarHBondContact O-N 3.46Å; F1031-I1033 PolarHBondContact O-N 3.37Å; F1031-L1034 PolarHBondContact O-N 3.17Å; F1031-F1035 HydrophobicContact CB-CD2 4.41Å; F1031-F1035 HydrophobicContact CB-CE2 4.36Å; F1031-F1035 HydrophobicContact CD1-CE2 4.23Å; F1031-F1035 WeakPolarHBondContact O-CD2 3.44Å; F1031-F1035 PolarHBondContact O-N 3.49Å; F1031-L1060 HydrophobicContact CD1-CD1 4.41Å; F1031-L1060 HydrophobicContact CE1-CD1 4.17Å; F1031-W1066 HydrophobicContact CE1-CH2 4.32Å; F1031-W1066 HydrophobicContact CZ-CH2 4.12Å |
| 1032 | A | 91.8 | Very high | 88.4 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 50% | 0.496 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1028 V1029 Y1030 A1036 | I1028-A1032 WeakPolarHBondContact O-CB 3.37Å; I1028-A1032 PolarHBondContact O-N 3.41Å; V1029-A1032 PolarHBondContact O-N 3.44Å; Y1030-A1032 VanDerWaalsContact C-N 3.34Å; Y1030-A1032 PolarHBondContact O-N 3.07Å; A1032-A1036 VanDerWaalsContact O-CB 3.27Å; A1032-A1036 WeakPolarHBondContact O-CB 3.32Å; A1032-A1036 PolarHBondContact O-N 3.49Å |
| 1033 | I | 90.4 | Very high | 87.5 | Confident | 43 Ų | 43 | 52.6 Ų | 52.6 | 22% | 0.221 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 177.2 | -68.9 | 171.3 | 0 | 0 | 0 | 110.5 | L907 V911 Y912 V1029 Y1030 F1031 F1035 A1036 M1037 | L907-I1033 HydrophobicContact CD1-CG2 4.06Å; V911-I1033 HydrophobicContact CG1-CD1 4.11Å; Y912-I1033 HydrophobicContact CE1-CB 4.23Å; Y912-I1033 HydrophobicContact CE1-CD1 3.91Å; Y912-I1033 HydrophobicContact CE1-CG2 4.19Å; Y912-I1033 VanDerWaalsContact OH-CG2 3.24Å; Y912-I1033 WeakPolarHBondContact OH-CG2 3.38Å; V1029-I1033 HydrophobicContact CG1-CD1 3.59Å; V1029-I1033 HydrophobicContact CG1-CG1 4.3Å; V1029-I1033 WeakPolarHBondContact O-CB 3.34Å; V1029-I1033 VanDerWaalsContact O-CG1 3.3Å; V1029-I1033 WeakPolarHBondContact O-CG1 3.47Å; V1029-I1033 PolarHBondContact O-N 3.34Å; Y1030-I1033 PolarHBondContact O-N 2.97Å; F1031-I1033 PolarHBondContact O-N 3.37Å; I1033-F1035 PolarHBondContact O-N 3.07Å; I1033-A1036 PolarHBondContact O-N 3.5Å; I1033-M1037 HydrophobicContact CG2-CG 3.91Å; I1033-M1037 HydrophobicContact CG2-SD 3.36Å; I1033-M1037 WeakPolarHBondContact CG2-SD 3.1Å; I1033-M1037 WeakPolarHBondContact O-CB 3.48Å; I1033-M1037 VanDerWaalsContact O-CG 3.23Å; I1033-M1037 WeakPolarHBondContact O-CG 3.49Å; I1033-M1037 PolarHBondContact O-N 2.77Å |
| 1034 | L | 89.3 | Confident | 86.5 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.2 | -49.9 | 177.9 | -178.3 | 68.7 | 0 | 0 | 0 | 111.8 | V994 Y1030 F1031 Q1038 A1056 L1060 | V994-L1034 HydrophobicContact CG1-CD2 4.32Å; Y1030-L1034 HydrophobicContact CE1-CD2 4.33Å; Y1030-L1034 VanDerWaalsContact O-CB 3.3Å; Y1030-L1034 WeakPolarHBondContact O-CB 3.5Å; Y1030-L1034 PolarHBondContact O-N 3.22Å; F1031-L1034 PolarHBondContact O-N 3.17Å; L1034-Q1038 WeakPolarHBondContact O-CB 3.5Å; L1034-Q1038 WeakPolarHBondContact O-CG 3.44Å; L1034-Q1038 PolarHBondContact O-N 3.34Å; L1034-A1056 HydrophobicContact CD2-CB 4.22Å; L1034-A1056 HydrophobicContact CG-CB 4.04Å; L1034-L1060 HydrophobicContact CD2-CD1 4.05Å |
| 1035 | F | 89 | Confident | 85.7 | Confident | 99 Ų | 99 | 52.4 Ų | 52.4 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.3 | -34.2 | 178.4 | -75.1 | -62.6 | 0 | 0 | 0 | 112.8 | F1031 I1033 S1039 A1056 L1060 | F1031-F1035 HydrophobicContact CB-CD2 4.41Å; F1031-F1035 HydrophobicContact CB-CE2 4.36Å; F1031-F1035 HydrophobicContact CD1-CE2 4.23Å; F1031-F1035 WeakPolarHBondContact O-CD2 3.44Å; F1031-F1035 PolarHBondContact O-N 3.49Å; I1033-F1035 PolarHBondContact O-N 3.07Å; F1035-S1039 PolarHBondContact O-N 3.39Å; F1035-A1056 HydrophobicContact CD1-CB 4.18Å; F1035-A1056 HydrophobicContact CE1-CB 4.12Å; F1035-L1060 HydrophobicContact CE1-CD1 4.38Å; F1035-L1060 HydrophobicContact CZ-CD1 3.87Å |
| 1036 | A | 86.5 | Confident | 85 | Confident | 45 Ų | 45 | 56.4 Ų | 56.4 | 37% | 0.372 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.3 | -51.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1032 I1033 Q1038 S1039 L1042 | A1032-A1036 VanDerWaalsContact O-CB 3.27Å; A1032-A1036 WeakPolarHBondContact O-CB 3.32Å; A1032-A1036 PolarHBondContact O-N 3.49Å; I1033-A1036 PolarHBondContact O-N 3.5Å; A1036-Q1038 VanDerWaalsContact C-N 3.26Å; A1036-Q1038 PolarHBondContact O-N 3.27Å; A1036-S1039 VanDerWaalsContact O-CB 3.28Å; A1036-S1039 WeakPolarHBondContact O-CB 3.5Å; A1036-S1039 PolarHBondContact O-N 3.35Å; A1036-S1039 VanDerWaalsContact O-N 3.13Å; A1036-S1039 PolarHBondContact O-OG 3.29Å; A1036-L1042 HydrophobicContact CB-CD1 4.49Å; A1036-L1042 WeakPolarHBondContact O-CD1 3.41Å |
| 1037 | M | 82.8 | Confident | 84 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 15% | 0.148 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.1 | -28.9 | -176 | -66.8 | -177.5 | 100.4 | 0 | 0 | 113.2 | W903 L907 I1033 F1050 | W903-M1037 HydrophobicContact CB-CE 3.23Å; W903-M1037 HydrophobicContact CB-SD 4.05Å; W903-M1037 HydrophobicContact CD2-CE 3.45Å; W903-M1037 VanDerWaalsContact CD2-CE 3.45Å; W903-M1037 HydrophobicContact CE3-CE 3.99Å; W903-M1037 HydrophobicContact CG-CE 3.1Å; W903-M1037 HydrophobicContact CG-SD 4.46Å; L907-M1037 HydrophobicContact CD1-CE 4.3Å; L907-M1037 HydrophobicContact CD1-SD 4.07Å; I1033-M1037 HydrophobicContact CG2-CG 3.91Å; I1033-M1037 HydrophobicContact CG2-SD 3.36Å; I1033-M1037 WeakPolarHBondContact CG2-SD 3.1Å; I1033-M1037 WeakPolarHBondContact O-CB 3.48Å; I1033-M1037 VanDerWaalsContact O-CG 3.23Å; I1033-M1037 WeakPolarHBondContact O-CG 3.49Å; I1033-M1037 PolarHBondContact O-N 2.77Å; M1037-F1050 HydrophobicContact CB-CD1 4.29Å; M1037-F1050 HydrophobicContact CB-CE1 4.26Å; M1037-F1050 HydrophobicContact CE-CD1 4.46Å; M1037-F1050 HydrophobicContact CE-CE1 3.6Å; M1037-F1050 HydrophobicContact CE-CZ 4.45Å; M1037-F1050 HydrophobicContact CG-CE1 4.22Å |
| 1038 | Q | 83.5 | Confident | 82.9 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 7% | 0.07 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 16.1 | 178.6 | -59 | -173 | 4.9 | 0 | 0 | 113.2 | L1034 A1036 F1052 G1054 A1056 | L1034-Q1038 WeakPolarHBondContact O-CB 3.5Å; L1034-Q1038 WeakPolarHBondContact O-CG 3.44Å; L1034-Q1038 PolarHBondContact O-N 3.34Å; A1036-Q1038 VanDerWaalsContact C-N 3.26Å; A1036-Q1038 PolarHBondContact O-N 3.27Å; Q1038-F1052 WeakPolarHBondContact CA-O 3.21Å; Q1038-F1052 VanDerWaalsContact CB-O 3.28Å; Q1038-F1052 WeakPolarHBondContact CB-O 3.45Å; Q1038-F1052 HydrophobicContact CG-CB 4.1Å; Q1038-F1052 WeakPolarHBondContact CG-O 3.2Å; Q1038-G1054 PolarHBondContact O-N 2.73Å; Q1038-A1056 HydrophobicContact CB-CB 4.46Å |
| 1039 | S | 83.8 | Confident | 81.8 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 31% | 0.308 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -83.9 | 149.1 | 176 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | F1035 A1036 G1041 L1042 F1043 | F1035-S1039 PolarHBondContact O-N 3.39Å; A1036-S1039 VanDerWaalsContact O-CB 3.28Å; A1036-S1039 WeakPolarHBondContact O-CB 3.5Å; A1036-S1039 PolarHBondContact O-N 3.35Å; A1036-S1039 VanDerWaalsContact O-N 3.13Å; A1036-S1039 PolarHBondContact O-OG 3.29Å; S1039-G1041 PolarHBondContact O-N 3.35Å; S1039-G1041 VanDerWaalsContact O-N 3.15Å; S1039-L1042 PolarHBondContact O-N 3.12Å; S1039-F1043 PolarHBondContact O-N 3.31Å |
| 1040 | D | 78.4 | Confident | 81 | Confident | 115 Ų | 115 | 58.7 Ų | 58.7 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.9 | -29.7 | -179.8 | -54.4 | -31.5 | 0 | 0 | 0 | 112.7 | G1044 I1053 | D1040-G1044 PolarHBondContact O-N 3Å; D1040-I1053 WeakPolarHBondContact OD1-CG2 3.44Å |
| 1041 | G | 76.8 | Confident | 80 | Confident | 49 Ų | 49 | 61.8 Ų | 61.8 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70 | -41.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1039 G1044 I1045 | S1039-G1041 PolarHBondContact O-N 3.35Å; S1039-G1041 VanDerWaalsContact O-N 3.15Å; G1041-G1044 PolarHBondContact O-N 3.07Å; G1041-I1045 WeakPolarHBondContact O-CG1 3.44Å; G1041-I1045 PolarHBondContact O-N 3.33Å |
| 1042 | L | 74.8 | Confident | 79.2 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -74.6 | -35.7 | 178.7 | -89.8 | 161 | 0 | 0 | 0 | 111.8 | A1036 S1039 G1044 I1045 F1046 F1050 | A1036-L1042 HydrophobicContact CB-CD1 4.49Å; A1036-L1042 WeakPolarHBondContact O-CD1 3.41Å; S1039-L1042 PolarHBondContact O-N 3.12Å; L1042-G1044 VanDerWaalsContact C-N 3.33Å; L1042-G1044 PolarHBondContact O-N 3.35Å; L1042-I1045 PolarHBondContact O-N 3.48Å; L1042-F1046 PolarHBondContact O-N 3.21Å; L1042-F1050 HydrophobicContact CD2-CE2 4.41Å |
| 1043 | F | 75.1 | Confident | 78.7 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60 | -43 | 171 | 178 | -106.4 | 0 | 0 | 0 | 112 | S1039 I1045 F1046 P1047 F1050 I1053 | S1039-F1043 PolarHBondContact O-N 3.31Å; F1043-I1045 PolarHBondContact O-N 3.12Å; F1043-F1046 CarbonylContact O-C 3.49Å; F1043-F1046 PolarHBondContact O-N 3.47Å; F1043-P1047 HydrophobicContact CD2-CB 4.35Å; F1043-P1047 HydrophobicContact CE2-CB 3.85Å; F1043-P1047 HydrophobicContact CZ-CB 4.07Å; F1043-P1047 WeakPolarHBondContact O-CA 3.28Å; F1043-P1047 WeakPolarHBondContact O-CD 3.4Å; F1043-P1047 WeakPolarHBondContact O-CG 3.33Å; F1043-F1050 WeakPolarHBondContact CD2-O 3.19Å; F1043-I1053 HydrophobicContact CB-CG1 4.2Å; F1043-I1053 HydrophobicContact CD1-CD1 3.47Å; F1043-I1053 VanDerWaalsContact CD1-CD1 3.47Å; F1043-I1053 HydrophobicContact CD1-CG1 3.92Å; F1043-I1053 HydrophobicContact CD2-CD1 3.76Å; F1043-I1053 HydrophobicContact CD2-CG1 3.71Å; F1043-I1053 HydrophobicContact CE1-CD1 3.31Å; F1043-I1053 HydrophobicContact CE1-CG1 4.22Å; F1043-I1053 HydrophobicContact CE2-CD1 3.6Å; F1043-I1053 HydrophobicContact CE2-CG1 4.01Å; F1043-I1053 HydrophobicContact CG-CD1 3.69Å; F1043-I1053 HydrophobicContact CG-CG1 3.64Å; F1043-I1053 HydrophobicContact CZ-CD1 3.37Å; F1043-I1053 HydrophobicContact CZ-CG1 4.26Å |
| 1044 | G | 70.4 | Confident | 78.1 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.6 | -25.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1040 G1041 L1042 | D1040-G1044 PolarHBondContact O-N 3Å; G1041-G1044 PolarHBondContact O-N 3.07Å; L1042-G1044 VanDerWaalsContact C-N 3.33Å; L1042-G1044 PolarHBondContact O-N 3.35Å |
| 1045 | I | 77.6 | Confident | 77.8 | Confident | 112 Ų | 112 | 60.1 Ų | 60.1 | 57% | 0.574 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -90.6 | -40.9 | 179.5 | -58 | 167.7 | 0 | 0 | 0 | 111.3 | G1041 L1042 F1043 | G1041-I1045 WeakPolarHBondContact O-CG1 3.44Å; G1041-I1045 PolarHBondContact O-N 3.33Å; L1042-I1045 PolarHBondContact O-N 3.48Å; F1043-I1045 PolarHBondContact O-N 3.12Å |
| 1046 | F | 76.7 | Confident | 77.5 | Confident | 110 Ų | 110 | 55.4 Ų | 55.4 | 48% | 0.482 | 34% | 0.338 | S | S | . | . | trans | -135.2 | 76.6 | -178.4 | -62.6 | -69.3 | 0 | 0 | 0 | 112.7 | L1042 F1043 S1048 N1049 F1050 | L1042-F1046 PolarHBondContact O-N 3.21Å; F1043-F1046 CarbonylContact O-C 3.49Å; F1043-F1046 PolarHBondContact O-N 3.47Å; F1046-S1048 VanDerWaalsContact C-N 3.31Å; F1046-S1048 PolarHBondContact O-N 3.44Å; F1046-N1049 HydrophobicContact CB-CB 4.4Å; F1046-N1049 PolarHBondContact O-N 3.21Å; F1046-F1050 HydrophobicContact CB-CD2 3.98Å; F1046-F1050 HydrophobicContact CB-CE2 4.04Å; F1046-F1050 HydrophobicContact CD2-CE2 4.48Å; F1046-F1050 WeakPolarHBondContact O-CD2 3.48Å | ||
| 1047 | P | 73.2 | Confident | 77.4 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 48% | 0.481 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -33.6 | -172.7 | -21.8 | 31 | 0 | 0 | 0 | 114.3 | F1043 N1049 | F1043-P1047 HydrophobicContact CD2-CB 4.35Å; F1043-P1047 HydrophobicContact CE2-CB 3.85Å; F1043-P1047 HydrophobicContact CZ-CB 4.07Å; F1043-P1047 WeakPolarHBondContact O-CA 3.28Å; F1043-P1047 WeakPolarHBondContact O-CD 3.4Å; F1043-P1047 WeakPolarHBondContact O-CG 3.33Å; P1047-N1049 VanDerWaalsContact C-N 3.3Å; P1047-N1049 PolarHBondContact O-N 2.87Å |
| 1048 | S | 68.7 | Low | 77.4 | Confident | 104 Ų | 104 | 65.8 Ų | 65.8 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.9 | -177.7 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | F1046 | F1046-S1048 VanDerWaalsContact C-N 3.31Å; F1046-S1048 PolarHBondContact O-N 3.44Å |
| 1049 | N | 70.3 | Confident | 77.4 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 32% | 0.316 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -10.6 | -171.8 | -64 | -15.2 | 0 | 0 | 0 | 113.2 | W903 F1046 P1047 | W903-N1049 PolarHBondContact NE1-O 3.23Å; F1046-N1049 HydrophobicContact CB-CB 4.4Å; F1046-N1049 PolarHBondContact O-N 3.21Å; P1047-N1049 VanDerWaalsContact C-N 3.3Å; P1047-N1049 PolarHBondContact O-N 2.87Å |
| 1050 | F | 77.3 | Confident | 77.5 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 10% | 0.101 | 36% | 0.36 | C | S | . | . | trans | -133.8 | 67.5 | -175.3 | -62.5 | -74.1 | 0 | 0 | 0 | 112.3 | W903 M1037 L1042 F1043 F1046 F1052 | W903-F1050 AromaticContact CD1-CE1 3.89Å; W903-F1050 HydrophobicContact CZ2-CZ 4.43Å; W903-F1050 AromaticContact NE1-CE1 3.56Å; W903-F1050 AromaticContact NE1-CZ 3.95Å; M1037-F1050 HydrophobicContact CB-CD1 4.29Å; M1037-F1050 HydrophobicContact CB-CE1 4.26Å; M1037-F1050 HydrophobicContact CE-CD1 4.46Å; M1037-F1050 HydrophobicContact CE-CE1 3.6Å; M1037-F1050 HydrophobicContact CE-CZ 4.45Å; M1037-F1050 HydrophobicContact CG-CE1 4.22Å; L1042-F1050 HydrophobicContact CD2-CE2 4.41Å; F1043-F1050 WeakPolarHBondContact CD2-O 3.19Å; F1046-F1050 HydrophobicContact CB-CD2 3.98Å; F1046-F1050 HydrophobicContact CB-CE2 4.04Å; F1046-F1050 HydrophobicContact CD2-CE2 4.48Å; F1046-F1050 WeakPolarHBondContact O-CD2 3.48Å; F1050-F1052 VanDerWaalsContact C-N 3.28Å; F1050-F1052 PolarHBondContact O-N 3.31Å | ||
| 1051 | P | 71.6 | Confident | 77.9 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 42% | 0.422 | 36% | 0.358 | S | S | . | . | trans | -73.4 | -11.2 | -171.5 | 28.2 | -34.2 | 0 | 0 | 0 | 115.3 | Q990 I1053 | Q990-P1051 PolarHBondContact NE2-O 2.95Å; P1051-I1053 PolarHBondContact O-N 3.46Å | ||
| 1052 | F | 76.5 | Confident | 78.4 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 15% | 0.145 | 34% | 0.338 | C | S | . | . | trans | -97.4 | 89.5 | -174.1 | -72.6 | 23.7 | 0 | 0 | 0 | 109.7 | D901 Q990 A993 V994 Q1038 F1050 | D901-F1052 HydrophobicContact CB-CD2 4.4Å; D901-F1052 HydrophobicContact CB-CE2 4.04Å; D901-F1052 HydrophobicContact CB-CZ 4.32Å; Q990-F1052 HydrophobicContact CB-CD1 4.49Å; Q990-F1052 HydrophobicContact CB-CD2 4.28Å; Q990-F1052 HydrophobicContact CB-CE1 4.47Å; Q990-F1052 HydrophobicContact CB-CE2 4.23Å; Q990-F1052 HydrophobicContact CB-CG 4.43Å; Q990-F1052 HydrophobicContact CB-CZ 4.34Å; Q990-F1052 HydrophobicContact CG-CD1 3.99Å; Q990-F1052 HydrophobicContact CG-CE1 3.87Å; Q990-F1052 HydrophobicContact CG-CE2 4.5Å; Q990-F1052 HydrophobicContact CG-CG 4.39Å; Q990-F1052 HydrophobicContact CG-CZ 4.14Å; A993-F1052 HydrophobicContact CB-CE2 3.97Å; A993-F1052 HydrophobicContact CB-CZ 4.33Å; V994-F1052 HydrophobicContact CG2-CD2 4.28Å; Q1038-F1052 WeakPolarHBondContact CA-O 3.21Å; Q1038-F1052 VanDerWaalsContact CB-O 3.28Å; Q1038-F1052 WeakPolarHBondContact CB-O 3.45Å; Q1038-F1052 HydrophobicContact CG-CB 4.1Å; Q1038-F1052 WeakPolarHBondContact CG-O 3.2Å; F1050-F1052 VanDerWaalsContact C-N 3.28Å; F1050-F1052 PolarHBondContact O-N 3.31Å | ||
| 1053 | I | 79.8 | Confident | 79 | Confident | 74 Ų | 74 | 65.3 Ų | 65.3 | 38% | 0.379 | 36% | 0.355 | S | S | . | . | trans | -94.2 | 120.3 | -175.3 | -51.9 | 165 | 0 | 0 | 0 | 109.8 | D1040 F1043 P1051 T1055 | D1040-I1053 WeakPolarHBondContact OD1-CG2 3.44Å; F1043-I1053 HydrophobicContact CB-CG1 4.2Å; F1043-I1053 HydrophobicContact CD1-CD1 3.47Å; F1043-I1053 VanDerWaalsContact CD1-CD1 3.47Å; F1043-I1053 HydrophobicContact CD1-CG1 3.92Å; F1043-I1053 HydrophobicContact CD2-CD1 3.76Å; F1043-I1053 HydrophobicContact CD2-CG1 3.71Å; F1043-I1053 HydrophobicContact CE1-CD1 3.31Å; F1043-I1053 HydrophobicContact CE1-CG1 4.22Å; F1043-I1053 HydrophobicContact CE2-CD1 3.6Å; F1043-I1053 HydrophobicContact CE2-CG1 4.01Å; F1043-I1053 HydrophobicContact CG-CD1 3.69Å; F1043-I1053 HydrophobicContact CG-CG1 3.64Å; F1043-I1053 HydrophobicContact CZ-CD1 3.37Å; F1043-I1053 HydrophobicContact CZ-CG1 4.26Å; P1051-I1053 PolarHBondContact O-N 3.46Å; I1053-T1055 PolarHBondContact O-N 3.28Å | ||
| 1054 | G | 78.3 | Confident | 79.5 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 66.1 | 2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1038 A1056 R1057 N1058 | Q1038-G1054 PolarHBondContact O-N 2.73Å; G1054-A1056 PolarHBondContact O-N 3.45Å; G1054-R1057 PolarHBondContact O-N 3.29Å; G1054-N1058 PolarHBondContact O-N 3.06Å |
| 1055 | T | 82.8 | Confident | 80.3 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -46.4 | -176 | -42.5 | 0 | 0 | 0 | 0 | 111.8 | Q990 V994 I1053 R1057 N1058 C1059 | Q990-T1055 HydrophobicContact CB-CG2 3.62Å; Q990-T1055 PolarHBondContact OE1-OG1 3.07Å; Q990-T1055 VanDerWaalsContact OE1-OG1 3.13Å; V994-T1055 HydrophobicContact CG2-CG2 4.12Å; I1053-T1055 PolarHBondContact O-N 3.28Å; T1055-R1057 VanDerWaalsContact C-N 3.3Å; T1055-R1057 PolarHBondContact O-N 2.58Å; T1055-N1058 PolarHBondContact O-N 3.36Å; T1055-C1059 WeakPolarHBondContact O-CB 3.49Å; T1055-C1059 PolarHBondContact O-N 2.98Å |
| 1056 | A | 83.7 | Confident | 80.9 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1034 F1035 Q1038 G1054 L1060 | L1034-A1056 HydrophobicContact CD2-CB 4.22Å; L1034-A1056 HydrophobicContact CG-CB 4.04Å; F1035-A1056 HydrophobicContact CD1-CB 4.18Å; F1035-A1056 HydrophobicContact CE1-CB 4.12Å; Q1038-A1056 HydrophobicContact CB-CB 4.46Å; G1054-A1056 PolarHBondContact O-N 3.45Å; A1056-L1060 HydrophobicContact CB-CD1 4.47Å; A1056-L1060 VanDerWaalsContact O-CB 3.24Å; A1056-L1060 WeakPolarHBondContact O-CB 3.27Å; A1056-L1060 WeakPolarHBondContact O-CG 3.39Å; A1056-L1060 PolarHBondContact O-N 3.41Å |
| 1057 | R | 83.2 | Confident | 81.6 | Confident | 193 Ų | 193 | 60.8 Ų | 60.8 | 73% | 0.728 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.8 | -44.7 | 179.4 | -172.3 | 177.1 | -179.4 | 180 | -0.6 | 111.2 | G1054 T1055 S1061 | G1054-R1057 PolarHBondContact O-N 3.29Å; T1055-R1057 VanDerWaalsContact C-N 3.3Å; T1055-R1057 PolarHBondContact O-N 2.58Å; R1057-S1061 VanDerWaalsContact O-CB 3.28Å; R1057-S1061 WeakPolarHBondContact O-CB 3.42Å; R1057-S1061 PolarHBondContact O-N 2.98Å; R1057-S1061 PolarHBondContact O-OG 2.95Å |
| 1058 | N | 83.1 | Confident | 82.5 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.8 | -34.7 | 178.1 | -78.3 | -4.3 | 0 | 0 | 0 | 112.8 | G1054 T1055 S1061 | G1054-N1058 PolarHBondContact O-N 3.06Å; T1055-N1058 PolarHBondContact O-N 3.36Å; N1058-S1061 PolarHBondContact O-OG 3.45Å; N1058-S1061 VanDerWaalsContact O-OG 3.05Å |
| 1059 | C | 84.7 | Confident | 83.6 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -80.6 | -45.7 | -176.3 | -172.8 | 0 | 0 | 0 | 0 | 112 | F986 A991 T995 T1055 S1061 E1062 V1065 | F986-C1059 HydrophobicContact CZ-CB 4.36Å; A991-C1059 HydrophobicContact CB-CB 4.36Å; T995-C1059 PolarHBondContact OG1-SG 3.47Å; T1055-C1059 WeakPolarHBondContact O-CB 3.49Å; T1055-C1059 PolarHBondContact O-N 2.98Å; C1059-S1061 VanDerWaalsContact C-N 3.33Å; C1059-E1062 PolarHBondContact O-N 3.15Å; C1059-V1065 WeakPolarHBondContact O-CG2 3.29Å |
| 1060 | L | 85.7 | Confident | 84.8 | Confident | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -82.1 | -9.2 | -176.5 | -62.2 | 173.2 | 0 | 0 | 0 | 113.2 | T998 F1031 L1034 F1035 A1056 E1062 W1066 | T998-L1060 HydrophobicContact CG2-CD2 4.43Å; F1031-L1060 HydrophobicContact CD1-CD1 4.41Å; F1031-L1060 HydrophobicContact CE1-CD1 4.17Å; L1034-L1060 HydrophobicContact CD2-CD1 4.05Å; F1035-L1060 HydrophobicContact CE1-CD1 4.38Å; F1035-L1060 HydrophobicContact CZ-CD1 3.87Å; A1056-L1060 HydrophobicContact CB-CD1 4.47Å; A1056-L1060 VanDerWaalsContact O-CB 3.24Å; A1056-L1060 WeakPolarHBondContact O-CB 3.27Å; A1056-L1060 WeakPolarHBondContact O-CG 3.39Å; A1056-L1060 PolarHBondContact O-N 3.41Å; L1060-E1062 VanDerWaalsContact C-N 3.33Å; L1060-W1066 HydrophobicContact CB-CZ2 4.4Å; L1060-W1066 HydrophobicContact CD2-CZ2 4.12Å; L1060-W1066 PolarHBondContact O-NE1 2.84Å |
| 1061 | S | 86.3 | Confident | 85.6 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 56% | 0.559 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -27 | 169.9 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | R1057 N1058 C1059 | R1057-S1061 VanDerWaalsContact O-CB 3.28Å; R1057-S1061 WeakPolarHBondContact O-CB 3.42Å; R1057-S1061 PolarHBondContact O-N 2.98Å; R1057-S1061 PolarHBondContact O-OG 2.95Å; N1058-S1061 PolarHBondContact O-OG 3.45Å; N1058-S1061 VanDerWaalsContact O-OG 3.05Å; C1059-S1061 VanDerWaalsContact C-N 3.33Å |
| 1062 | E | 86 | Confident | 86.6 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | trans | -75.3 | 126.9 | -177.8 | -67.6 | -69.1 | 171.2 | 0 | 0 | 111.2 | F986 C1059 L1060 S1064 V1065 | F986-E1062 HydrophobicContact CE2-CB 4.5Å; F986-E1062 HydrophobicContact CE2-CG 3.82Å; F986-E1062 HydrophobicContact CZ-CG 4.38Å; C1059-E1062 PolarHBondContact O-N 3.15Å; L1060-E1062 VanDerWaalsContact C-N 3.33Å; E1062-S1064 PolarHBondContact O-N 3.36Å; E1062-V1065 HydrophobicContact CB-CG2 4.04Å; E1062-V1065 PolarHBondContact O-N 3.42Å | ||
| 1063 | K | 87.4 | Confident | 87.4 | Confident | 154 Ų | 154 | 54.8 Ų | 54.8 | 67% | 0.67 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.7 | -31.1 | -179.9 | -63.6 | 172.4 | -172 | 160 | 0 | 112.1 | V1065 W1066 L1067 | K1063-V1065 VanDerWaalsContact C-N 3.31Å; K1063-V1065 PolarHBondContact O-N 3.47Å; K1063-W1066 PolarHBondContact O-N 3.39Å; K1063-L1067 PolarHBondContact O-N 3.26Å |
| 1064 | S | 86.4 | Confident | 88.1 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | -178.9 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | E1062 L1067 V1068 | E1062-S1064 PolarHBondContact O-N 3.36Å; S1064-L1067 PolarHBondContact O-N 2.92Å; S1064-V1068 WeakPolarHBondContact O-CG2 3.3Å; S1064-V1068 PolarHBondContact O-N 3.49Å; S1064-V1068 VanDerWaalsContact O-N 3.11Å |
| 1065 | V | 87.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 112 | F986 T995 C1059 E1062 K1063 L1067 V1068 I1069 | F986-V1065 HydrophobicContact CE1-CG2 3.53Å; F986-V1065 HydrophobicContact CZ-CG2 3.53Å; T995-V1065 HydrophobicContact CG2-CG1 3.91Å; C1059-V1065 WeakPolarHBondContact O-CG2 3.29Å; E1062-V1065 HydrophobicContact CB-CG2 4.04Å; E1062-V1065 PolarHBondContact O-N 3.42Å; K1063-V1065 VanDerWaalsContact C-N 3.31Å; K1063-V1065 PolarHBondContact O-N 3.47Å; V1065-L1067 VanDerWaalsContact C-N 3.31Å; V1065-L1067 PolarHBondContact O-N 3.39Å; V1065-V1068 PolarHBondContact O-N 3.18Å; V1065-I1069 HydrophobicContact CG1-CD1 3.91Å; V1065-I1069 HydrophobicContact CG1-CG1 4.43Å; V1065-I1069 VanDerWaalsContact O-CG1 3.3Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.33Å; V1065-I1069 PolarHBondContact O-N 2.91Å |
| 1066 | W | 90.6 | Very high | 89.2 | Confident | 110 Ų | 110 | 56.7 Ų | 56.7 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -34.3 | 177 | -72 | 101.6 | 0 | 0 | 0 | 113.2 | F1031 L1060 K1063 I1069 L1070 | F1031-W1066 HydrophobicContact CE1-CH2 4.32Å; F1031-W1066 HydrophobicContact CZ-CH2 4.12Å; L1060-W1066 HydrophobicContact CB-CZ2 4.4Å; L1060-W1066 HydrophobicContact CD2-CZ2 4.12Å; L1060-W1066 PolarHBondContact O-NE1 2.84Å; K1063-W1066 PolarHBondContact O-N 3.39Å; W1066-I1069 HydrophobicContact CE3-CD1 4.15Å; W1066-I1069 HydrophobicContact CZ3-CD1 4.47Å; W1066-I1069 PolarHBondContact O-N 2.92Å; W1066-L1070 WeakPolarHBondContact O-CB 3.37Å; W1066-L1070 PolarHBondContact O-N 3.31Å |
| 1067 | L | 91.3 | Very high | 89.6 | Confident | 117 Ų | 117 | 57.3 Ų | 57.3 | 61% | 0.613 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 173.6 | -69.5 | 174.6 | 0 | 0 | 0 | 111.7 | K1063 S1064 V1065 L1070 L1071 | K1063-L1067 PolarHBondContact O-N 3.26Å; S1064-L1067 PolarHBondContact O-N 2.92Å; V1065-L1067 VanDerWaalsContact C-N 3.31Å; V1065-L1067 PolarHBondContact O-N 3.39Å; L1067-L1070 PolarHBondContact O-N 2.93Å; L1067-L1071 VanDerWaalsContact O-CB 3.27Å; L1067-L1071 WeakPolarHBondContact O-CB 3.46Å; L1067-L1071 PolarHBondContact O-N 2.91Å |
| 1068 | V | 91.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | P971 A974 M978 S1064 V1065 L1070 L1071 T1072 | P971-V1068 HydrophobicContact CB-CG1 4.3Å; P971-V1068 HydrophobicContact CG-CG1 4.25Å; A974-V1068 HydrophobicContact CB-CG1 4.15Å; A974-V1068 HydrophobicContact CB-CG2 3.62Å; M978-V1068 HydrophobicContact CE-CG2 3.61Å; M978-V1068 HydrophobicContact SD-CG2 3.97Å; S1064-V1068 WeakPolarHBondContact O-CG2 3.3Å; S1064-V1068 PolarHBondContact O-N 3.49Å; S1064-V1068 VanDerWaalsContact O-N 3.11Å; V1065-V1068 PolarHBondContact O-N 3.18Å; V1068-L1070 VanDerWaalsContact C-N 3.35Å; V1068-L1070 PolarHBondContact O-N 3.4Å; V1068-L1071 PolarHBondContact O-N 3.13Å; V1068-T1072 VanDerWaalsContact O-CB 3.3Å; V1068-T1072 WeakPolarHBondContact O-CB 3.4Å; V1068-T1072 PolarHBondContact O-N 3.48Å; V1068-T1072 PolarHBondContact O-OG1 3.01Å |
| 1069 | I | 93 | Very high | 90.2 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 174.3 | -67.7 | 166.9 | 0 | 0 | 0 | 110 | T995 T998 T999 I1002 V1065 W1066 T1072 T1073 | T995-I1069 HydrophobicContact CG2-CG1 4.28Å; T998-I1069 HydrophobicContact CG2-CD1 4.03Å; T999-I1069 WeakPolarHBondContact OG1-CG1 3.34Å; I1002-I1069 HydrophobicContact CD1-CG2 3.68Å; V1065-I1069 HydrophobicContact CG1-CD1 3.91Å; V1065-I1069 HydrophobicContact CG1-CG1 4.43Å; V1065-I1069 VanDerWaalsContact O-CG1 3.3Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.33Å; V1065-I1069 PolarHBondContact O-N 2.91Å; W1066-I1069 HydrophobicContact CE3-CD1 4.15Å; W1066-I1069 HydrophobicContact CZ3-CD1 4.47Å; W1066-I1069 PolarHBondContact O-N 2.92Å; I1069-T1072 PolarHBondContact O-N 2.71Å; I1069-T1073 WeakPolarHBondContact O-CB 3.42Å; I1069-T1073 PolarHBondContact O-N 3.48Å; I1069-T1073 PolarHBondContact O-OG1 2.94Å |
| 1070 | L | 94 | Very high | 90.2 | Very high | 104 Ų | 104 | 52.7 Ų | 52.7 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | -179.7 | -179.4 | 65.9 | 0 | 0 | 0 | 111.7 | W1066 L1067 V1068 T1072 T1073 V1074 | W1066-L1070 WeakPolarHBondContact O-CB 3.37Å; W1066-L1070 PolarHBondContact O-N 3.31Å; L1067-L1070 PolarHBondContact O-N 2.93Å; V1068-L1070 VanDerWaalsContact C-N 3.35Å; V1068-L1070 PolarHBondContact O-N 3.4Å; L1070-T1072 PolarHBondContact O-N 2.99Å; L1070-T1073 PolarHBondContact O-N 2.71Å; L1070-V1074 HydrophobicContact CD1-CG2 4.39Å; L1070-V1074 WeakPolarHBondContact O-CG2 3.28Å; L1070-V1074 PolarHBondContact O-N 3.46Å |
| 1071 | L | 93.9 | Very high | 90.3 | Very high | 99 Ų | 99 | 55.9 Ų | 55.9 | 52% | 0.518 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.8 | -50 | 178.1 | 177.6 | 65 | 0 | 0 | 0 | 110.9 | I970 L1067 V1068 T1073 V1074 V1075 | I970-L1071 HydrophobicContact CG2-CD2 4.27Å; L1067-L1071 VanDerWaalsContact O-CB 3.27Å; L1067-L1071 WeakPolarHBondContact O-CB 3.46Å; L1067-L1071 PolarHBondContact O-N 2.91Å; V1068-L1071 PolarHBondContact O-N 3.13Å; L1071-T1073 VanDerWaalsContact C-N 3.28Å; L1071-T1073 PolarHBondContact O-N 3.18Å; L1071-V1074 PolarHBondContact O-N 3.06Å; L1071-V1075 HydrophobicContact CD1-CG2 4.12Å; L1071-V1075 VanDerWaalsContact O-CG2 3.3Å; L1071-V1075 WeakPolarHBondContact O-CG2 3.38Å; L1071-V1075 PolarHBondContact O-N 3.31Å |
| 1072 | T | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -40.4 | 179.9 | -52 | 0 | 0 | 0 | 0 | 110.8 | L967 I970 T999 V1068 I1069 L1070 V1075 C1076 | L967-T1072 HydrophobicContact CD2-CG2 4.02Å; I970-T1072 HydrophobicContact CB-CG2 4.44Å; I970-T1072 HydrophobicContact CD1-CG2 4.28Å; I970-T1072 VanDerWaalsContact CG2-OG1 3.28Å; I970-T1072 WeakPolarHBondContact CG2-OG1 3.17Å; T999-T1072 HydrophobicContact CG2-CG2 3.57Å; V1068-T1072 VanDerWaalsContact O-CB 3.3Å; V1068-T1072 WeakPolarHBondContact O-CB 3.4Å; V1068-T1072 PolarHBondContact O-N 3.48Å; V1068-T1072 PolarHBondContact O-OG1 3.01Å; I1069-T1072 PolarHBondContact O-N 2.71Å; L1070-T1072 PolarHBondContact O-N 2.99Å; T1072-V1075 PolarHBondContact O-N 3.38Å; T1072-C1076 WeakPolarHBondContact O-CB 3.43Å; T1072-C1076 PolarHBondContact O-N 3.5Å; T1072-C1076 PolarHBondContact O-SG 2.78Å |
| 1073 | T | 93.6 | Very high | 90.5 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 177.8 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | I1002 V1003 V1006 I1069 L1070 L1071 C1076 I1077 | I1002-T1073 HydrophobicContact CG2-CG2 4.15Å; V1003-T1073 HydrophobicContact CG2-CG2 4.21Å; V1006-T1073 HydrophobicContact CG2-CG2 4.5Å; I1069-T1073 WeakPolarHBondContact O-CB 3.42Å; I1069-T1073 PolarHBondContact O-N 3.48Å; I1069-T1073 PolarHBondContact O-OG1 2.94Å; L1070-T1073 PolarHBondContact O-N 2.71Å; L1071-T1073 VanDerWaalsContact C-N 3.28Å; L1071-T1073 PolarHBondContact O-N 3.18Å; T1073-C1076 PolarHBondContact O-N 3.35Å; T1073-I1077 HydrophobicContact CG2-CD1 3.68Å; T1073-I1077 WeakPolarHBondContact O-CB 3.28Å; T1073-I1077 VanDerWaalsContact O-CG1 3.28Å; T1073-I1077 WeakPolarHBondContact O-CG1 3.44Å; T1073-I1077 PolarHBondContact O-N 3Å |
| 1074 | V | 93.6 | Very high | 90.3 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 178.5 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | L1070 L1071 C1076 I1077 L1078 | L1070-V1074 HydrophobicContact CD1-CG2 4.39Å; L1070-V1074 WeakPolarHBondContact O-CG2 3.28Å; L1070-V1074 PolarHBondContact O-N 3.46Å; L1071-V1074 PolarHBondContact O-N 3.06Å; V1074-C1076 VanDerWaalsContact C-N 3.34Å; V1074-C1076 PolarHBondContact O-N 3.15Å; V1074-I1077 PolarHBondContact O-N 3.47Å; V1074-L1078 WeakPolarHBondContact O-CB 3.37Å; V1074-L1078 PolarHBondContact O-N 3.35Å |
| 1075 | V | 94.1 | Very high | 90.4 | Very high | 54 Ų | 54 | 59.7 Ų | 59.7 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66 | -36 | -177.8 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | L966 I970 L1071 T1072 P1079 | L966-V1075 HydrophobicContact CD1-CG1 4.22Å; L966-V1075 HydrophobicContact CD2-CG1 4.33Å; I970-V1075 HydrophobicContact CD1-CB 4.13Å; I970-V1075 HydrophobicContact CD1-CG1 3.99Å; L1071-V1075 HydrophobicContact CD1-CG2 4.12Å; L1071-V1075 VanDerWaalsContact O-CG2 3.3Å; L1071-V1075 WeakPolarHBondContact O-CG2 3.38Å; L1071-V1075 PolarHBondContact O-N 3.31Å; T1072-V1075 PolarHBondContact O-N 3.38Å; V1075-P1079 WeakPolarHBondContact O-CD 3.3Å |
| 1076 | C | 91.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 9% | 0.088 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 177.6 | -70.1 | 0 | 0 | 0 | 0 | 113 | T963 V1003 T1072 T1073 V1074 | T963-C1076 HydrophobicContact CG2-CB 4.44Å; V1003-C1076 HydrophobicContact CG1-CB 4.09Å; V1003-C1076 HydrophobicContact CG2-CB 4.36Å; T1072-C1076 WeakPolarHBondContact O-CB 3.43Å; T1072-C1076 PolarHBondContact O-N 3.5Å; T1072-C1076 PolarHBondContact O-SG 2.78Å; T1073-C1076 PolarHBondContact O-N 3.35Å; V1074-C1076 VanDerWaalsContact C-N 3.34Å; V1074-C1076 PolarHBondContact O-N 3.15Å |
| 1077 | I | 91 | Very high | 90.2 | Very high | 13 Ų | 13 | 66.3 Ų | 66.3 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -94.2 | -35.9 | -168.5 | -63.8 | 178.3 | 0 | 0 | 0 | 112.4 | V1006 L1010 T1073 V1074 P1079 G1080 L1081 | V1006-I1077 HydrophobicContact CB-CD1 3.5Å; V1006-I1077 VanDerWaalsContact CB-CD1 3.5Å; V1006-I1077 HydrophobicContact CG1-CD1 3.38Å; V1006-I1077 HydrophobicContact CG2-CD1 4.42Å; L1010-I1077 HydrophobicContact CD1-CG2 3.32Å; T1073-I1077 HydrophobicContact CG2-CD1 3.68Å; T1073-I1077 WeakPolarHBondContact O-CB 3.28Å; T1073-I1077 VanDerWaalsContact O-CG1 3.28Å; T1073-I1077 WeakPolarHBondContact O-CG1 3.44Å; T1073-I1077 PolarHBondContact O-N 3Å; V1074-I1077 PolarHBondContact O-N 3.47Å; I1077-P1079 VanDerWaalsContact C-CD 3.5Å; I1077-G1080 PolarHBondContact O-N 3.09Å; I1077-G1080 VanDerWaalsContact O-N 3.15Å; I1077-L1081 PolarHBondContact O-N 3.22Å |
| 1078 | L | 90.3 | Very high | 89.9 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 52% | 0.518 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -54.4 | -44.8 | -174.5 | -173.7 | 72.1 | 0 | 0 | 0 | 113.5 | V1074 G1080 L1081 V1082 | V1074-L1078 WeakPolarHBondContact O-CB 3.37Å; V1074-L1078 PolarHBondContact O-N 3.35Å; L1078-G1080 PolarHBondContact O-N 3.29Å; L1078-L1081 PolarHBondContact O-N 3.22Å; L1078-V1082 HydrophobicContact CD1-CG2 4.44Å; L1078-V1082 HydrophobicContact CG-CG2 4.43Å; L1078-V1082 VanDerWaalsContact O-CG2 3.32Å; L1078-V1082 WeakPolarHBondContact O-CG2 3.15Å; L1078-V1082 PolarHBondContact O-N 3.36Å |
| 1079 | P | 88.4 | Confident | 89.6 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 179.1 | -22.8 | 34.5 | 0 | 0 | 0 | 112.8 | V1075 I1077 V1082 V1083 | V1075-P1079 WeakPolarHBondContact O-CD 3.3Å; I1077-P1079 VanDerWaalsContact C-CD 3.5Å; P1079-V1082 PolarHBondContact O-N 2.9Å; P1079-V1083 WeakPolarHBondContact O-CG2 3.29Å; P1079-V1083 PolarHBondContact O-N 3.08Å |
| 1080 | G | 84.9 | Confident | 89.3 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 25% | 0.247 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1077 L1078 S1084 | I1077-G1080 PolarHBondContact O-N 3.09Å; I1077-G1080 VanDerWaalsContact O-N 3.15Å; L1078-G1080 PolarHBondContact O-N 3.29Å; G1080-S1084 WeakPolarHBondContact O-CB 3.28Å; G1080-S1084 PolarHBondContact O-N 2.89Å; G1080-S1084 PolarHBondContact O-OG 3.33Å |
| 1081 | L | 88 | Confident | 88.9 | Confident | 84 Ų | 84 | 75.5 Ų | 75.5 | 44% | 0.44 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 177.2 | -170.8 | 149.9 | 0 | 0 | 0 | 111.7 | L1010 I1077 L1078 S1084 F1085 | L1010-L1081 HydrophobicContact CD1-CD1 4.27Å; L1010-L1081 HydrophobicContact CD2-CD1 4.28Å; I1077-L1081 PolarHBondContact O-N 3.22Å; L1078-L1081 PolarHBondContact O-N 3.22Å; L1081-S1084 PolarHBondContact O-N 3.18Å; L1081-F1085 WeakPolarHBondContact O-CB 3.21Å; L1081-F1085 PolarHBondContact O-N 3.11Å |
| 1082 | V | 89 | Confident | 88.4 | Confident | 67 Ų | 67 | 73.1 Ų | 73.1 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | L1078 P1079 S1084 F1085 L1086 | L1078-V1082 HydrophobicContact CD1-CG2 4.44Å; L1078-V1082 HydrophobicContact CG-CG2 4.43Å; L1078-V1082 VanDerWaalsContact O-CG2 3.32Å; L1078-V1082 WeakPolarHBondContact O-CG2 3.15Å; L1078-V1082 PolarHBondContact O-N 3.36Å; P1079-V1082 PolarHBondContact O-N 2.9Å; V1082-S1084 VanDerWaalsContact C-N 3.34Å; V1082-S1084 PolarHBondContact O-N 3.45Å; V1082-F1085 PolarHBondContact O-N 2.92Å; V1082-L1086 HydrophobicContact CG1-CD1 3.89Å; V1082-L1086 HydrophobicContact CG1-CG 4.41Å; V1082-L1086 WeakPolarHBondContact O-CB 3.39Å; V1082-L1086 WeakPolarHBondContact O-CG 3.47Å; V1082-L1086 PolarHBondContact O-N 3.29Å |
| 1083 | V | 87.1 | Confident | 88 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 58% | 0.576 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | P1079 R1087 | P1079-V1083 WeakPolarHBondContact O-CG2 3.29Å; P1079-V1083 PolarHBondContact O-N 3.08Å; V1083-R1087 VanDerWaalsContact O-CB 3.29Å; V1083-R1087 WeakPolarHBondContact O-CB 3.32Å; V1083-R1087 PolarHBondContact O-N 2.99Å |
| 1084 | S | 84.2 | Confident | 87.3 | Confident | 69 Ų | 69 | 79.6 Ų | 79.6 | 48% | 0.483 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | G1080 L1081 V1082 R1087 V1088 | G1080-S1084 WeakPolarHBondContact O-CB 3.28Å; G1080-S1084 PolarHBondContact O-N 2.89Å; G1080-S1084 PolarHBondContact O-OG 3.33Å; L1081-S1084 PolarHBondContact O-N 3.18Å; V1082-S1084 VanDerWaalsContact C-N 3.34Å; V1082-S1084 PolarHBondContact O-N 3.45Å; S1084-R1087 PolarHBondContact O-N 3.31Å; S1084-V1088 WeakPolarHBondContact O-CG2 3.45Å; S1084-V1088 PolarHBondContact O-N 2.68Å; S1084-V1088 VanDerWaalsContact O-N 3.09Å |
| 1085 | F | 86.8 | Confident | 86.8 | Confident | 126 Ų | 126 | 77.3 Ų | 77.3 | 55% | 0.553 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.7 | -50 | 176.9 | -176.2 | -96.7 | 0 | 0 | 0 | 111.9 | L1081 V1082 R1087 V1088 D1089 | L1081-F1085 WeakPolarHBondContact O-CB 3.21Å; L1081-F1085 PolarHBondContact O-N 3.11Å; V1082-F1085 PolarHBondContact O-N 2.92Å; F1085-R1087 VanDerWaalsContact C-N 3.27Å; F1085-R1087 PolarHBondContact O-N 3.42Å; F1085-V1088 PolarHBondContact O-N 3.06Å; F1085-D1089 VanDerWaalsContact CE1-OD2 3.24Å; F1085-D1089 WeakPolarHBondContact CE1-OD2 3.25Å; F1085-D1089 VanDerWaalsContact CZ-OD2 3.26Å; F1085-D1089 WeakPolarHBondContact CZ-OD2 3.42Å; F1085-D1089 PolarHBondContact O-N 3Å; F1085-D1089 VanDerWaalsContact O-N 3.14Å |
| 1086 | L | 88.8 | Confident | 86.3 | Confident | 86 Ų | 86 | 76 Ų | 76 | 45% | 0.45 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61 | -36.5 | 177.5 | -71.9 | 173.6 | 0 | 0 | 0 | 112.3 | V1082 L1090 | V1082-L1086 HydrophobicContact CG1-CD1 3.89Å; V1082-L1086 HydrophobicContact CG1-CG 4.41Å; V1082-L1086 WeakPolarHBondContact O-CB 3.39Å; V1082-L1086 WeakPolarHBondContact O-CG 3.47Å; V1082-L1086 PolarHBondContact O-N 3.29Å; L1086-L1090 HydrophobicContact CB-CD1 4.38Å; L1086-L1090 WeakPolarHBondContact O-CB 3.45Å; L1086-L1090 VanDerWaalsContact O-CG 3.24Å; L1086-L1090 WeakPolarHBondContact O-CG 3.23Å; L1086-L1090 PolarHBondContact O-N 3.49Å |
| 1087 | R | 85.6 | Confident | 85.9 | Confident | 163 Ų | 163 | 80.8 Ų | 80.8 | 62% | 0.615 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.5 | -43.1 | 179.1 | -172.6 | 177.6 | -176.8 | 179.5 | 0.3 | 112 | V1083 S1084 F1085 D1089 F1091 | V1083-R1087 VanDerWaalsContact O-CB 3.29Å; V1083-R1087 WeakPolarHBondContact O-CB 3.32Å; V1083-R1087 PolarHBondContact O-N 2.99Å; S1084-R1087 PolarHBondContact O-N 3.31Å; F1085-R1087 VanDerWaalsContact C-N 3.27Å; F1085-R1087 PolarHBondContact O-N 3.42Å; R1087-D1089 VanDerWaalsContact C-N 3.32Å; R1087-F1091 CarbonylContact O-C 3.22Å; R1087-F1091 WeakPolarHBondContact O-CA 3.43Å; R1087-F1091 PolarHBondContact O-N 3Å |
| 1088 | V | 84.9 | Confident | 85.5 | Confident | 52 Ų | 52 | 80.6 Ų | 80.6 | 32% | 0.315 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 178.4 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | S1084 F1085 P1092 | S1084-V1088 WeakPolarHBondContact O-CG2 3.45Å; S1084-V1088 PolarHBondContact O-N 2.68Å; S1084-V1088 VanDerWaalsContact O-N 3.09Å; F1085-V1088 PolarHBondContact O-N 3.06Å; V1088-P1092 WeakPolarHBondContact O-CA 3.32Å; V1088-P1092 WeakPolarHBondContact O-CB 3.48Å |
| 1089 | D | 85.3 | Confident | 85.1 | Confident | 99 Ų | 99 | 79 Ų | 79 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -77 | -42.5 | -179 | -76 | -9 | 0 | 0 | 0 | 113.3 | F1085 R1087 | F1085-D1089 VanDerWaalsContact CE1-OD2 3.24Å; F1085-D1089 WeakPolarHBondContact CE1-OD2 3.25Å; F1085-D1089 VanDerWaalsContact CZ-OD2 3.26Å; F1085-D1089 WeakPolarHBondContact CZ-OD2 3.42Å; F1085-D1089 PolarHBondContact O-N 3Å; F1085-D1089 VanDerWaalsContact O-N 3.14Å; R1087-D1089 VanDerWaalsContact C-N 3.32Å |
| 1090 | L | 87.9 | Confident | 84.8 | Confident | 117 Ų | 117 | 80.3 Ų | 80.3 | 61% | 0.613 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -84.6 | -34.8 | -175.5 | -63.2 | 172.7 | 0 | 0 | 0 | 113.2 | L1086 | L1086-L1090 HydrophobicContact CB-CD1 4.38Å; L1086-L1090 WeakPolarHBondContact O-CB 3.45Å; L1086-L1090 VanDerWaalsContact O-CG 3.24Å; L1086-L1090 WeakPolarHBondContact O-CG 3.23Å; L1086-L1090 PolarHBondContact O-N 3.49Å |
| 1091 | F | 85.3 | Confident | 84.5 | Confident | 158 Ų | 158 | 82.9 Ų | 82.9 | 69% | 0.693 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -135.7 | 64.7 | -175.4 | -60.5 | -77.3 | 0 | 0 | 0 | 111.4 | R1087 T1093 | R1087-F1091 CarbonylContact O-C 3.22Å; R1087-F1091 WeakPolarHBondContact O-CA 3.43Å; R1087-F1091 PolarHBondContact O-N 3Å; F1091-T1093 PolarHBondContact O-N 3.32Å |
| 1092 | P | 83.9 | Confident | 84 | Confident | 50 Ų | 50 | 80.6 Ų | 80.6 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | trans | -64.6 | 128.1 | -175.2 | 24.8 | -34 | 0 | 0 | 0 | 111.7 | V1088 D1096 K1097 | V1088-P1092 WeakPolarHBondContact O-CA 3.32Å; V1088-P1092 WeakPolarHBondContact O-CB 3.48Å; P1092-D1096 HydrophobicContact CB-CB 4.39Å; P1092-K1097 HydrophobicContact CB-CG 4.33Å | ||
| 1093 | T | 82.8 | Confident | 83.4 | Confident | 62 Ų | 62 | 83 Ų | 83 | 38% | 0.38 | 42% | 0.415 | S | S | . | . | trans | -71.4 | 163.4 | 175.2 | 69.1 | 0 | 0 | 0 | 0 | 111.3 | F1091 T1095 D1096 K1097 | F1091-T1093 PolarHBondContact O-N 3.32Å; T1093-T1095 PolarHBondContact O-N 3.34Å; T1093-D1096 WeakPolarHBondContact CB-OD2 3.4Å; T1093-D1096 PolarHBondContact N-OD2 3.38Å; T1093-D1096 PolarHBondContact O-N 2.94Å; T1093-D1096 VanDerWaalsContact O-N 3.1Å; T1093-D1096 PolarHBondContact OG1-N 3.08Å; T1093-D1096 PolarHBondContact OG1-OD2 3.24Å; T1093-K1097 WeakPolarHBondContact O-CG 3.41Å; T1093-K1097 PolarHBondContact O-N 3.13Å | ||
| 1094 | L | 80.5 | Confident | 82.8 | Confident | 90 Ų | 90 | 81.3 Ų | 81.3 | 47% | 0.471 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -55.4 | -39.2 | 173.9 | -84.1 | 162.4 | 0 | 0 | 0 | 111.7 | L938 K1097 V1098 | L938-L1094 HydrophobicContact CD2-CB 4.07Å; L1094-K1097 PolarHBondContact O-N 3.47Å; L1094-V1098 WeakPolarHBondContact O-CG2 3.43Å; L1094-V1098 PolarHBondContact O-N 3.41Å |
| 1095 | T | 82.6 | Confident | 81.9 | Confident | 27 Ų | 27 | 82.6 Ų | 82.6 | 17% | 0.166 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.5 | -50.5 | 0 | 0 | 0 | 0 | 111.3 | D926 V927 T1093 K1097 V1098 R1099 | D926-T1095 HydrophobicContact CB-CG2 4.08Å; V927-T1095 HydrophobicContact CG1-CG2 4.06Å; T1093-T1095 PolarHBondContact O-N 3.34Å; T1095-K1097 PolarHBondContact O-N 3.48Å; T1095-V1098 PolarHBondContact O-N 3.02Å; T1095-R1099 WeakPolarHBondContact O-CG 3.38Å; T1095-R1099 PolarHBondContact O-N 3.01Å |
| 1096 | D | 83.3 | Confident | 80.7 | Confident | 26 Ų | 26 | 84.8 Ų | 84.8 | 14% | 0.139 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 179.1 | -58.2 | -39.4 | 0 | 0 | 0 | 111.4 | P1092 T1093 V1098 R1099 H1100 | P1092-D1096 HydrophobicContact CB-CB 4.39Å; T1093-D1096 WeakPolarHBondContact CB-OD2 3.4Å; T1093-D1096 PolarHBondContact N-OD2 3.38Å; T1093-D1096 PolarHBondContact O-N 2.94Å; T1093-D1096 VanDerWaalsContact O-N 3.1Å; T1093-D1096 PolarHBondContact OG1-N 3.08Å; T1093-D1096 PolarHBondContact OG1-OD2 3.24Å; D1096-V1098 VanDerWaalsContact C-N 3.34Å; D1096-V1098 PolarHBondContact O-N 2.87Å; D1096-R1099 PolarHBondContact O-N 3.23Å; D1096-H1100 PolarHBondContact O-CD2 3.34Å; D1096-H1100 PolarHBondContact O-N 3.04Å |
| 1097 | K | 83.9 | Confident | 79.1 | Confident | 114 Ų | 114 | 89.7 Ų | 89.7 | 50% | 0.496 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 175.2 | -67.3 | 177.2 | -175.3 | 178.3 | 0 | 111.6 | P1092 T1093 L1094 T1095 H1100 L1101 | P1092-K1097 HydrophobicContact CB-CG 4.33Å; T1093-K1097 WeakPolarHBondContact O-CG 3.41Å; T1093-K1097 PolarHBondContact O-N 3.13Å; L1094-K1097 PolarHBondContact O-N 3.47Å; T1095-K1097 PolarHBondContact O-N 3.48Å; K1097-H1100 PolarHBondContact O-N 3.36Å; K1097-L1101 WeakPolarHBondContact O-CG 3.49Å; K1097-L1101 PolarHBondContact O-N 3.31Å |
| 1098 | V | 82.3 | Confident | 77.3 | Confident | 10 Ų | 10 | 89.1 Ų | 89.1 | 6% | 0.061 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | V927 N931 Y935 L938 L1094 T1095 D1096 L1101 Q1102 | V927-V1098 HydrophobicContact CG1-CG1 4.21Å; N931-V1098 HydrophobicContact CB-CG1 4.38Å; Y935-V1098 HydrophobicContact CD2-CG1 4.02Å; Y935-V1098 HydrophobicContact CD2-CG2 4.16Å; Y935-V1098 HydrophobicContact CE2-CG1 4.32Å; Y935-V1098 HydrophobicContact CG-CG2 4.24Å; L938-V1098 HydrophobicContact CD1-CG1 4.44Å; L938-V1098 HydrophobicContact CD1-CG2 4.37Å; L938-V1098 HydrophobicContact CD2-CG2 4.25Å; L1094-V1098 WeakPolarHBondContact O-CG2 3.43Å; L1094-V1098 PolarHBondContact O-N 3.41Å; T1095-V1098 PolarHBondContact O-N 3.02Å; D1096-V1098 VanDerWaalsContact C-N 3.34Å; D1096-V1098 PolarHBondContact O-N 2.87Å; V1098-L1101 WeakPolarHBondContact O-CB 3.36Å; V1098-L1101 PolarHBondContact O-N 3.19Å; V1098-Q1102 WeakPolarHBondContact O-CB 3.39Å; V1098-Q1102 PolarHBondContact O-N 2.95Å |
| 1099 | R | 81.9 | Confident | 74.9 | Confident | 64 Ų | 64 | 98.1 Ų | 98.1 | 24% | 0.242 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 175.7 | -72.6 | 177.5 | 78.5 | 179.3 | 10.1 | 112 | V927 H1013 T1095 D1096 L1101 Q1102 Q1103 | V927-R1099 HydrophobicContact CG1-CG 3.97Å; H1013-R1099 PolarHBondContact ND1-NH1 2.93Å; H1013-R1099 PolarHBondContact O-NH2 2.92Å; T1095-R1099 WeakPolarHBondContact O-CG 3.38Å; T1095-R1099 PolarHBondContact O-N 3.01Å; D1096-R1099 PolarHBondContact O-N 3.23Å; R1099-L1101 VanDerWaalsContact C-N 3.32Å; R1099-L1101 PolarHBondContact O-N 3.02Å; R1099-Q1102 WeakPolarHBondContact O-CB 3.28Å; R1099-Q1102 PolarHBondContact O-N 3.27Å; R1099-Q1102 VanDerWaalsContact O-N 3.17Å; R1099-Q1103 WeakPolarHBondContact O-CG 3.4Å; R1099-Q1103 PolarHBondContact O-N 3.33Å |
| 1100 | H | 81.2 | Confident | 72.8 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 173.6 | -78.7 | -67.2 | 0 | 0 | 0 | 111.8 | D1096 K1097 Q1102 Q1103 S1104 | D1096-H1100 PolarHBondContact O-CD2 3.34Å; D1096-H1100 PolarHBondContact O-N 3.04Å; K1097-H1100 PolarHBondContact O-N 3.36Å; H1100-Q1102 VanDerWaalsContact C-N 3.34Å; H1100-Q1102 PolarHBondContact O-N 3.01Å; H1100-Q1103 PolarHBondContact O-N 2.9Å; H1100-S1104 PolarHBondContact O-N 2.99Å; H1100-S1104 PolarHBondContact O-OG 3.45Å |
| 1101 | L | 79.4 | Confident | 70.3 | Confident | 78 Ų | 78 | 102 Ų | 102 | 41% | 0.408 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 173.8 | -72.5 | 171 | 0 | 0 | 0 | 112.8 | K1097 V1098 R1099 S1104 R1105 | K1097-L1101 WeakPolarHBondContact O-CG 3.49Å; K1097-L1101 PolarHBondContact O-N 3.31Å; V1098-L1101 WeakPolarHBondContact O-CB 3.36Å; V1098-L1101 PolarHBondContact O-N 3.19Å; R1099-L1101 VanDerWaalsContact C-N 3.32Å; R1099-L1101 PolarHBondContact O-N 3.02Å; L1101-S1104 WeakPolarHBondContact CA-OG 3.32Å; L1101-S1104 PolarHBondContact O-OG 3.3Å; L1101-R1105 VanDerWaalsContact O-CB 3.28Å; L1101-R1105 WeakPolarHBondContact O-CB 3.26Å; L1101-R1105 WeakPolarHBondContact O-CG 3.45Å; L1101-R1105 PolarHBondContact O-N 3.13Å |
| 1102 | Q | 77.2 | Confident | 67.8 | Low | 35 Ų | 35 | 102.9 Ų | 102.9 | 16% | 0.164 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 175.9 | -176.4 | 179.3 | -7.5 | 0 | 0 | 111.4 | N928 N931 V1098 R1099 H1100 K1106 | N928-Q1102 VanDerWaalsContact CG-NE2 3.3Å; N928-Q1102 PolarHBondContact ND2-NE2 2.73Å; N928-Q1102 PolarHBondContact OD1-NE2 3.44Å; N928-Q1102 VanDerWaalsContact OD1-NE2 3.14Å; N931-Q1102 VanDerWaalsContact ND2-CD 3.27Å; N931-Q1102 PolarHBondContact ND2-OE1 3.37Å; N931-Q1102 VanDerWaalsContact ND2-OE1 3.13Å; V1098-Q1102 WeakPolarHBondContact O-CB 3.39Å; V1098-Q1102 PolarHBondContact O-N 2.95Å; R1099-Q1102 WeakPolarHBondContact O-CB 3.28Å; R1099-Q1102 PolarHBondContact O-N 3.27Å; R1099-Q1102 VanDerWaalsContact O-N 3.17Å; H1100-Q1102 VanDerWaalsContact C-N 3.34Å; H1100-Q1102 PolarHBondContact O-N 3.01Å; Q1102-K1106 PolarHBondContact O-N 3.41Å |
| 1103 | Q | 76.2 | Confident | 65.5 | Low | 118 Ų | 118 | 107.4 Ų | 107.4 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.2 | -38.1 | 176.8 | -70.5 | 177.4 | 1.5 | 0 | 0 | 112.2 | R1099 H1100 | R1099-Q1103 WeakPolarHBondContact O-CG 3.4Å; R1099-Q1103 PolarHBondContact O-N 3.33Å; H1100-Q1103 PolarHBondContact O-N 2.9Å |
| 1104 | S | 74.8 | Confident | 63 | Low | 59 Ų | 59 | 111.2 Ų | 111.2 | 41% | 0.413 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 175 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | H1100 L1101 K1107 | H1100-S1104 PolarHBondContact O-N 2.99Å; H1100-S1104 PolarHBondContact O-OG 3.45Å; L1101-S1104 WeakPolarHBondContact CA-OG 3.32Å; L1101-S1104 PolarHBondContact O-OG 3.3Å; S1104-K1107 WeakPolarHBondContact O-CB 3.27Å; S1104-K1107 PolarHBondContact O-N 2.83Å |
| 1105 | R | 66.5 | Low | 60.7 | Low | 96 Ų | 96 | 115.2 Ų | 115.2 | 36% | 0.362 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.5 | -31.4 | 174 | -77.9 | -179.3 | 172.2 | 164.1 | 0.6 | 113.5 | Y935 L1101 K1107 Q1108 | Y935-R1105 PolarHBondContact OH-NH1 3.2Å; L1101-R1105 VanDerWaalsContact O-CB 3.28Å; L1101-R1105 WeakPolarHBondContact O-CB 3.26Å; L1101-R1105 WeakPolarHBondContact O-CG 3.45Å; L1101-R1105 PolarHBondContact O-N 3.13Å; R1105-K1107 PolarHBondContact O-N 3.43Å; R1105-Q1108 CarbonylContact O-C 3.49Å; R1105-Q1108 PolarHBondContact O-N 3.36Å |
| 1106 | K | 59.7 | Low | 58.1 | Low | 172 Ų | 172 | 125.4 Ų | 125.4 | 75% | 0.748 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -20.8 | 170.1 | -87.3 | -174.7 | 175.9 | -178.1 | 0 | 112.8 | Q1102 | Q1102-K1106 PolarHBondContact O-N 3.41Š|
| 1107 | K | 56.4 | Low | 55.7 | Low | 189 Ų | 189 | 132.4 Ų | 132.4 | 82% | 0.822 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -8.5 | 175 | -62.3 | -179.1 | 177.9 | 179.7 | 0 | 114 | S1104 R1105 | S1104-K1107 WeakPolarHBondContact O-CB 3.27Å; S1104-K1107 PolarHBondContact O-N 2.83Å; R1105-K1107 PolarHBondContact O-N 3.43Å |
| 1108 | Q | 46.4 | Very low | 53.1 | Low | 151 Ų | 151 | 133.3 Ų | 133.3 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -128.7 | 133.3 | -179.7 | -73.2 | -178 | -14.4 | 0 | 0 | 111.1 | R1105 | R1105-Q1108 CarbonylContact O-C 3.49Å; R1105-Q1108 PolarHBondContact O-N 3.36Å |
| 1109 | R | 35.9 | Very low | 50.6 | Low | 242 Ų | 242 | 144 Ų | 144 | 91% | 0.913 | 66% | 0.66 | S | S | * | * | trans | -54.8 | 148.9 | 179.3 | -79.4 | -178.1 | 176 | -179.3 | -1.2 | 111.7 | Q1111 | R1109-Q1111 PolarHBondContact O-N 2.8Š| ||
| 1110 | P | 41.4 | Very low | 48.4 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 84% | 0.844 | 67% | 0.673 | S | S | * | * | trans | -70.3 | 122.6 | -175.5 | -5.8 | 21.6 | 0 | 0 | 0 | 110.2 | ||||
| 1111 | Q | 34.6 | Very low | 46 | Very low | 166 Ų | 166 | 148.1 Ų | 148.1 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -99 | 113.5 | 163.8 | -155.6 | 174.2 | 10.3 | 0 | 0 | 107.1 | R1109 Q1113 | R1109-Q1111 PolarHBondContact O-N 2.8Å; Q1111-Q1113 PolarHBondContact O-N 3.16Å | ||
| 1112 | E | 33.9 | Very low | 44 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | trans | -64.7 | 114 | 171 | -78.8 | 177.6 | 158.9 | 0 | 0 | 108.5 | ||||
| 1113 | Q | 34.1 | Very low | 42.3 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | trans | -100.1 | 103.2 | 166.4 | -83.1 | 179.7 | -24.9 | 0 | 0 | 106.9 | Q1111 L1115 | Q1111-Q1113 PolarHBondContact O-N 3.16Å; Q1113-L1115 PolarHBondContact O-N 3.3Å | ||
| 1114 | N | 30.2 | Very low | 40.8 | Very low | 141 Ų | 141 | 154.4 Ų | 154.4 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | trans | -61.8 | 124.8 | 168 | -70.7 | -23.8 | 0 | 0 | 0 | 108.5 | R1116 | N1114-R1116 PolarHBondContact O-N 2.73Š| ||
| 1115 | L | 32.9 | Very low | 39.7 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | trans | -56.8 | 122.3 | 166.1 | -79.2 | 157.6 | 0 | 0 | 0 | 107.6 | Q1113 R1117 | Q1113-L1115 PolarHBondContact O-N 3.3Å; L1115-R1117 PolarHBondContact O-N 2.98Å | ||
| 1116 | R | 29 | Very low | 38.9 | Very low | 241 Ų | 241 | 156.1 Ų | 156.1 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | trans | -65.9 | 115.7 | 174.5 | -81.7 | -178.7 | 171.9 | 179.5 | -3 | 108.4 | N1114 V1118 | N1114-R1116 PolarHBondContact O-N 2.73Å; R1116-V1118 PolarHBondContact O-N 3.24Å | ||
| 1117 | R | 32.4 | Very low | 38.8 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 65% | 0.653 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -63 | 123.6 | 167.8 | -129.1 | 176.7 | -168.5 | 177.7 | 5.1 | 108 | E426 L1115 R1119 | E426-R1117 IonicContact OE1-CZ 2.7Å; E426-R1117 IonicContact OE1-NH1 3.22Å; E426-R1117 PolarHBondContact OE1-NH1 3.21Å; E426-R1117 IonicContact OE2-NH1 3.42Å; E426-R1117 PolarHBondContact OE2-NH1 2.85Å; L1115-R1117 PolarHBondContact O-N 2.98Å; R1117-R1119 PolarHBondContact O-N 3.28Å |
| 1118 | V | 29.7 | Very low | 39 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 127.4 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 108.1 | R1116 | R1116-V1118 PolarHBondContact O-N 3.24Š|
| 1119 | R | 28.8 | Very low | 39.5 | Very low | 236 Ų | 236 | 133.3 Ų | 133.3 | 89% | 0.891 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 126 | -179.1 | -161.3 | 177.3 | -171.8 | 178 | 2.2 | 109 | R1117 | R1117-R1119 PolarHBondContact O-N 3.28Š|
| 1120 | R | 35.9 | Very low | 40.7 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 51% | 0.506 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 138.3 | 177.1 | -69.3 | 179.7 | 172.2 | 166.4 | -5.6 | 110.6 | N689 | N689-R1120 PolarHBondContact OD1-NH2 3.47Š|
| 1121 | T | 30.6 | Very low | 41.2 | Very low | 120 Ų | 120 | 117.7 Ų | 117.7 | 74% | 0.736 | 56% | 0.557 | S | S | * | * | trans | -124.3 | 118.6 | 164.2 | 44.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 1122 | S | 36.9 | Very low | 41.7 | Very low | 87 Ų | 87 | 109.8 Ų | 109.8 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | trans | -76.5 | 146.2 | -170.3 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1123 | S | 41.2 | Very low | 42.7 | Very low | 51 Ų | 51 | 106 Ų | 106 | 36% | 0.357 | 50% | 0.502 | S | S | . | . | trans | -101.6 | 142.2 | 157.2 | 71.9 | 0 | 0 | 0 | 0 | 108.6 | R1125 | S1123-R1125 PolarHBondContact O-N 2.87Å; S1123-R1125 VanDerWaalsContact O-N 3.12Å | ||
| 1124 | R | 45.3 | Very low | 43.5 | Very low | 224 Ų | 224 | 105.2 Ų | 105.2 | 85% | 0.845 | 50% | 0.499 | S | S | * | . | trans | -62.8 | 110.7 | -178.4 | -72.3 | 179.4 | 165.8 | -174.2 | -6.4 | 110.7 | ||||
| 1125 | R | 52.7 | Low | 44.4 | Very low | 128 Ų | 128 | 99.5 Ų | 99.5 | 48% | 0.483 | 47% | 0.473 | S | S | . | . | trans | -146.1 | 150.4 | 173.7 | -66.5 | -174.2 | -179.1 | -174.7 | 2.2 | 111 | S586 A589 Y686 S1123 | S586-R1125 WeakPolarHBondContact CA-O 3.36Å; A589-R1125 VanDerWaalsContact CB-O 3.29Å; A589-R1125 WeakPolarHBondContact CB-O 3.15Å; Y686-R1125 PolarHBondContact OH-NH1 3.09Å; S1123-R1125 PolarHBondContact O-N 2.87Å; S1123-R1125 VanDerWaalsContact O-N 3.12Å | ||
| 1126 | S | 48.4 | Very low | 45.5 | Very low | 63 Ų | 63 | 93 Ų | 93 | 44% | 0.441 | 44% | 0.437 | S | S | . | . | trans | -96.5 | 143.4 | 165.8 | 74.1 | 0 | 0 | 0 | 0 | 111.8 | D563 | D563-S1126 WeakPolarHBondContact OD2-CB 3.49Š| ||
| 1127 | A | 58.4 | Low | 46.8 | Very low | 19 Ų | 19 | 81.6 Ų | 81.6 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | trans | -120.6 | 47.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A589 T595 A1129 | A589-A1127 HydrophobicContact CB-CB 3.31Å; T595-A1127 PolarHBondContact N-O 3.26Å; A1127-A1129 PolarHBondContact O-N 3.11Å | ||
| 1128 | Y | 60.9 | Low | 47.9 | Very low | 13 Ų | 13 | 79.5 Ų | 79.5 | 5% | 0.051 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -57.6 | 126.2 | 171.1 | 169.9 | -104 | 0 | 0 | 0 | 110.4 | F537 K542 A562 T595 L596 E679 F1130 | F537-Y1128 WeakPolarHBondContact CE2-OH 3.43Å; K542-Y1128 HydrophobicContact CB-CE1 4.12Å; K542-Y1128 HydrophobicContact CD-CD1 4.47Å; K542-Y1128 HydrophobicContact CD-CE1 3.94Å; K542-Y1128 HydrophobicContact CG-CE1 4.29Å; K542-Y1128 PolarHBondContact O-OH 2.94Å; A562-Y1128 HydrophobicContact CB-CD1 3.59Å; A562-Y1128 HydrophobicContact CB-CD2 3.48Å; A562-Y1128 VanDerWaalsContact CB-CD2 3.48Å; A562-Y1128 HydrophobicContact CB-CE1 3.69Å; A562-Y1128 HydrophobicContact CB-CE2 3.54Å; A562-Y1128 HydrophobicContact CB-CG 3.44Å; A562-Y1128 VanDerWaalsContact CB-CG 3.44Å; T595-Y1128 WeakPolarHBondContact O-CD2 3.5Å; L596-Y1128 HydrophobicContact CD2-CD2 3.86Å; L596-Y1128 HydrophobicContact CD2-CE2 3.43Å; L596-Y1128 VanDerWaalsContact CD2-CE2 3.43Å; E679-Y1128 WeakPolarHBondContact CB-O 3.32Å; Y1128-F1130 HydrophobicContact CE2-CB 4.02Å; Y1128-F1130 WeakPolarHBondContact OH-CB 3.38Å |
| 1129 | A | 56.2 | Low | 49.2 | Very low | 2 Ų | 2 | 75.3 Ų | 75.3 | 2% | 0.017 | 36% | 0.364 | C | S | . | . | trans | -150.4 | 125.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | R594 A1127 | R594-A1129 HydrophobicContact CB-CB 4.2Å; R594-A1129 HydrophobicContact CG-CB 3.93Å; A1127-A1129 PolarHBondContact O-N 3.11Å | ||
| 1130 | F | 60.7 | Low | 50.7 | Low | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | trans | -133.9 | 124.3 | 177.3 | -161.7 | -123.9 | 0 | 0 | 0 | 110.7 | D495 E496 F537 L596 K677 Y1128 H1132 | D495-F1130 HydrophobicContact CB-CD2 4.08Å; D495-F1130 HydrophobicContact CB-CE2 3.98Å; E496-F1130 HydrophobicContact CG-CE2 4.23Å; E496-F1130 HydrophobicContact CG-CZ 3.78Å; F537-F1130 HydrophobicContact CD1-CD1 4.45Å; F537-F1130 AromaticContact CD2-CD1 3.61Å; F537-F1130 HydrophobicContact CD2-CD1 3.61Å; F537-F1130 AromaticContact CD2-CE1 3.79Å; F537-F1130 HydrophobicContact CD2-CE1 3.79Å; F537-F1130 HydrophobicContact CE1-CD1 4.33Å; F537-F1130 HydrophobicContact CE2-CB 4.48Å; F537-F1130 AromaticContact CE2-CD1 3.45Å; F537-F1130 HydrophobicContact CE2-CD1 3.45Å; F537-F1130 VanDerWaalsContact CE2-CD1 3.45Å; F537-F1130 HydrophobicContact CE2-CE1 4.13Å; F537-F1130 HydrophobicContact CE2-CG 4.4Å; F537-F1130 HydrophobicContact CG-CD1 4.12Å; F537-F1130 HydrophobicContact CG-CE1 4.09Å; F537-F1130 AromaticContact CZ-CD1 3.84Å; F537-F1130 HydrophobicContact CZ-CD1 3.84Å; L596-F1130 HydrophobicContact CD1-CD2 3.77Å; L596-F1130 HydrophobicContact CD1-CE2 3.8Å; L596-F1130 HydrophobicContact CD2-CB 4.22Å; L596-F1130 HydrophobicContact CD2-CD2 3.85Å; L596-F1130 HydrophobicContact CD2-CG 4.22Å; L596-F1130 HydrophobicContact CG-CD2 4.38Å; K677-F1130 PolarHBondContact NZ-O 2.85Å; Y1128-F1130 HydrophobicContact CE2-CB 4.02Å; Y1128-F1130 WeakPolarHBondContact OH-CB 3.38Å; F1130-H1132 VanDerWaalsContact C-N 3.27Å; F1130-H1132 HydrophobicContact CD1-CB 3.39Å; F1130-H1132 HydrophobicContact CE1-CB 3.17Å; F1130-H1132 AromaticContact CE1-CG 3.79Å; F1130-H1132 HydrophobicContact CG-CB 4.35Å; F1130-H1132 HydrophobicContact CZ-CB 3.95Å; F1130-H1132 PolarHBondContact O-N 3.33Å | ||
| 1131 | S | 51.7 | Low | 51.5 | Low | 38 Ų | 38 | 61 Ų | 61 | 27% | 0.266 | 32% | 0.318 | S | S | . | . | trans | -82.7 | 4.1 | -173.4 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | S493 D495 | S493-S1131 PolarHBondContact OG-OG 3.24Å; D495-S1131 VanDerWaalsContact OD2-CB 3.28Å; D495-S1131 WeakPolarHBondContact OD2-CB 3.24Å; D495-S1131 PolarHBondContact OD2-N 3.47Å; D495-S1131 PolarHBondContact OD2-OG 3.48Å | ||
| 1132 | H | 46.7 | Very low | 52.3 | Low | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -73.8 | 143.8 | -177.8 | -154.5 | 94.8 | 0 | 0 | 0 | 112.3 | T476 Q492 E496 F537 F1130 | T476-H1132 PolarHBondContact OG1-CE1 3.08Å; Q492-H1132 PolarHBondContact OE1-CE1 2.96Å; Q492-H1132 PolarHBondContact OE1-NE2 3.32Å; E496-H1132 IonicContact OE1-CE1 2.82Å; E496-H1132 IonicContact OE1-ND1 2.97Å; E496-H1132 IonicContact OE2-CE1 3.85Å; E496-H1132 IonicContact OE2-ND1 3.68Å; F537-H1132 VanDerWaalsContact CB-CD2 3.47Å; F537-H1132 WeakPolarHBondContact CB-CD2 3.42Å; F537-H1132 HydrophobicContact CD1-CB 3.79Å; F537-H1132 AromaticContact CD1-CD2 3.79Å; F537-H1132 HydrophobicContact CE1-CB 4.19Å; F537-H1132 WeakPolarHBondContact CE1-O 3.02Å; F537-H1132 HydrophobicContact CG-CB 4.09Å; F537-H1132 AromaticContact CG-CD2 3.89Å; F1130-H1132 VanDerWaalsContact C-N 3.27Å; F1130-H1132 HydrophobicContact CD1-CB 3.39Å; F1130-H1132 HydrophobicContact CE1-CB 3.17Å; F1130-H1132 AromaticContact CE1-CG 3.79Å; F1130-H1132 HydrophobicContact CG-CB 4.35Å; F1130-H1132 HydrophobicContact CZ-CB 3.95Å; F1130-H1132 PolarHBondContact O-N 3.33Å | ||
| 1133 | Q | 53.7 | Low | 53 | Low | 97 Ų | 97 | 54.5 Ų | 54.5 | 45% | 0.453 | 28% | 0.281 | S | S | . | . | trans | -110.7 | 162.1 | 172 | -65.8 | -177.5 | -0.4 | 0 | 0 | 108.9 | Q492 G1135 | Q492-Q1133 PolarHBondContact NE2-O 3.46Å; Q1133-G1135 PolarHBondContact O-N 3.28Å; Q1133-G1135 VanDerWaalsContact O-N 3.11Å | ||
| 1134 | Q | 52.1 | Low | 53.5 | Low | 130 Ų | 130 | 55.7 Ų | 55.7 | 61% | 0.607 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -52.8 | 122 | -179.1 | -162.4 | 168.9 | -9.7 | 0 | 0 | 110.1 | ||
| 1135 | G | 48.8 | Very low | 53.3 | Low | 21 Ų | 21 | 46.3 Ų | 46.3 | 22% | 0.216 | 25% | 0.246 | C | C | . | . | trans | -117.1 | -168.8 | -151.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q1133 G1137 | Q1133-G1135 PolarHBondContact O-N 3.28Å; Q1133-G1135 VanDerWaalsContact O-N 3.11Å; G1135-G1137 PolarHBondContact O-N 3.14Å | ||
| 1136 | Y | 56.5 | Low | 53.2 | Low | 39 Ų | 39 | 41.7 Ų | 41.7 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 7.2 | -167.9 | -66.9 | -72.8 | 0 | 0 | 0 | 116.6 | L174 V176 Q492 E1138 L1139 I1140 | L174-Y1136 PolarHBondContact O-OH 2.81Å; V176-Y1136 HydrophobicContact CB-CE1 3.65Å; V176-Y1136 WeakPolarHBondContact CB-OH 3.48Å; V176-Y1136 HydrophobicContact CG1-CE1 4.39Å; V176-Y1136 HydrophobicContact CG2-CE1 3.33Å; V176-Y1136 WeakPolarHBondContact CG2-OH 3.39Å; V176-Y1136 PolarHBondContact N-OH 2.88Å; Q492-Y1136 HydrophobicContact CB-CE2 4.44Å; Q492-Y1136 HydrophobicContact CG-CE2 4.3Å; Y1136-E1138 PolarHBondContact O-N 2.9Å; Y1136-L1139 HydrophobicContact CD1-CB 4.12Å; Y1136-L1139 HydrophobicContact CD1-CD1 3.62Å; Y1136-L1139 HydrophobicContact CD1-CG 4.43Å; Y1136-L1139 HydrophobicContact CE1-CD1 4.1Å; Y1136-L1139 CarbonylContact O-C 3.59Å; Y1136-L1139 WeakPolarHBondContact O-CA 3.45Å; Y1136-L1139 WeakPolarHBondContact O-CB 3.24Å; Y1136-L1139 PolarHBondContact O-N 3.24Å; Y1136-I1140 WeakPolarHBondContact O-CG1 3.21Å; Y1136-I1140 PolarHBondContact O-N 3.41Å |
| 1137 | G | 54.6 | Low | 52.9 | Low | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.3 | -36.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D536 G1135 I1140 T1141 | D536-G1137 VanDerWaalsContact CG-CA 3.43Å; D536-G1137 VanDerWaalsContact CG-N 3.25Å; D536-G1137 WeakPolarHBondContact OD1-CA 3.3Å; D536-G1137 PolarHBondContact OD1-N 3.49Å; D536-G1137 WeakPolarHBondContact OD2-CA 3.16Å; D536-G1137 PolarHBondContact OD2-N 3.02Å; G1135-G1137 PolarHBondContact O-N 3.14Å; G1137-I1140 PolarHBondContact O-N 3.43Å; G1137-T1141 WeakPolarHBondContact O-CB 3.32Å; G1137-T1141 VanDerWaalsContact O-CG2 3.27Å; G1137-T1141 WeakPolarHBondContact O-CG2 3.33Å; G1137-T1141 PolarHBondContact O-N 3.44Å; G1137-T1141 PolarHBondContact O-OG1 2.99Å |
| 1138 | E | 56.6 | Low | 51.8 | Low | 129 Ų | 129 | 52.9 Ų | 52.9 | 60% | 0.603 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.7 | -36.6 | 172.4 | -165.4 | 174 | -173.2 | 0 | 0 | 112.4 | D536 Y1136 T1141 S1142 | D536-E1138 PolarHBondContact OD2-N 2.94Å; Y1136-E1138 PolarHBondContact O-N 2.9Å; E1138-T1141 WeakPolarHBondContact CA-OG1 3.44Å; E1138-T1141 PolarHBondContact O-OG1 2.95Å; E1138-S1142 WeakPolarHBondContact O-CB 3.41Å; E1138-S1142 PolarHBondContact O-N 3.36Å; E1138-S1142 PolarHBondContact O-OG 2.88Å |
| 1139 | L | 55.6 | Low | 50.3 | Low | 43 Ų | 43 | 56.8 Ų | 56.8 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.5 | -34.3 | 176.7 | -90.2 | 142.7 | 0 | 0 | 0 | 113 | L160 Y1136 S1142 G1143 K1144 N1145 | L160-L1139 HydrophobicContact CD1-CD2 3.73Å; L160-L1139 HydrophobicContact CD2-CD2 4.32Å; Y1136-L1139 HydrophobicContact CD1-CB 4.12Å; Y1136-L1139 HydrophobicContact CD1-CD1 3.62Å; Y1136-L1139 HydrophobicContact CD1-CG 4.43Å; Y1136-L1139 HydrophobicContact CE1-CD1 4.1Å; Y1136-L1139 CarbonylContact O-C 3.59Å; Y1136-L1139 WeakPolarHBondContact O-CA 3.45Å; Y1136-L1139 WeakPolarHBondContact O-CB 3.24Å; Y1136-L1139 PolarHBondContact O-N 3.24Å; L1139-S1142 WeakPolarHBondContact CA-OG 3.4Å; L1139-S1142 PolarHBondContact O-OG 2.98Å; L1139-G1143 PolarHBondContact O-N 2.95Å; L1139-K1144 HydrophobicContact CD2-CB 4.27Å; L1139-K1144 PolarHBondContact O-N 3.42Å; L1139-N1145 WeakPolarHBondContact CD2-OD1 3.42Å |
| 1140 | I | 60.6 | Low | 48.8 | Very low | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.9 | -49.8 | 176.8 | -66.9 | 166.6 | 0 | 0 | 0 | 109.9 | T476 L531 I534 Y1136 G1137 S1142 G1143 | T476-I1140 HydrophobicContact CG2-CD1 4.2Å; L531-I1140 HydrophobicContact CD2-CG2 4.28Å; I534-I1140 HydrophobicContact CD1-CB 4.19Å; I534-I1140 HydrophobicContact CD1-CD1 4.39Å; I534-I1140 HydrophobicContact CD1-CG2 3.81Å; Y1136-I1140 WeakPolarHBondContact O-CG1 3.21Å; Y1136-I1140 PolarHBondContact O-N 3.41Å; G1137-I1140 PolarHBondContact O-N 3.43Å; I1140-S1142 VanDerWaalsContact C-N 3.3Å; I1140-S1142 PolarHBondContact O-N 3.42Å; I1140-G1143 PolarHBondContact O-N 3.05Å; I1140-G1143 VanDerWaalsContact O-N 3.09Å |
| 1141 | T | 53.8 | Low | 47.6 | Very low | 64 Ų | 64 | 70.7 Ų | 70.7 | 39% | 0.393 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.2 | -29.2 | 179.7 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | I534 G1137 E1138 G1143 | I534-T1141 HydrophobicContact CB-CG2 4.34Å; I534-T1141 HydrophobicContact CD1-CG2 4.46Å; I534-T1141 HydrophobicContact CG1-CG2 4.29Å; G1137-T1141 WeakPolarHBondContact O-CB 3.32Å; G1137-T1141 VanDerWaalsContact O-CG2 3.27Å; G1137-T1141 WeakPolarHBondContact O-CG2 3.33Å; G1137-T1141 PolarHBondContact O-N 3.44Å; G1137-T1141 PolarHBondContact O-OG1 2.99Å; E1138-T1141 WeakPolarHBondContact CA-OG1 3.44Å; E1138-T1141 PolarHBondContact O-OG1 2.95Å; T1141-G1143 VanDerWaalsContact C-N 3.28Å; T1141-G1143 PolarHBondContact O-N 3.17Å |
| 1142 | S | 48 | Very low | 46.7 | Very low | 50 Ų | 50 | 74.5 Ų | 74.5 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -6.2 | 173.1 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | E1138 L1139 I1140 K1144 | E1138-S1142 WeakPolarHBondContact O-CB 3.41Å; E1138-S1142 PolarHBondContact O-N 3.36Å; E1138-S1142 PolarHBondContact O-OG 2.88Å; L1139-S1142 WeakPolarHBondContact CA-OG 3.4Å; L1139-S1142 PolarHBondContact O-OG 2.98Å; I1140-S1142 VanDerWaalsContact C-N 3.3Å; I1140-S1142 PolarHBondContact O-N 3.42Å; S1142-K1144 PolarHBondContact O-N 3.4Å; S1142-K1144 VanDerWaalsContact O-N 3.15Å; S1142-K1144 WeakPolarHBondContact OG-CD 3.38Å; S1142-K1144 WeakPolarHBondContact OG-CG 3.47Å |
| 1143 | G | 51.1 | Low | 45.7 | Very low | 21 Ų | 21 | 79.8 Ų | 79.8 | 22% | 0.216 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 11.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | L1139 I1140 T1141 N1145 | L1139-G1143 PolarHBondContact O-N 2.95Å; I1140-G1143 PolarHBondContact O-N 3.05Å; I1140-G1143 VanDerWaalsContact O-N 3.09Å; T1141-G1143 VanDerWaalsContact C-N 3.28Å; T1141-G1143 PolarHBondContact O-N 3.17Å; G1143-N1145 PolarHBondContact O-N 2.97Å |
| 1144 | K | 50.2 | Low | 44.6 | Very low | 77 Ų | 77 | 81.8 Ų | 81.8 | 34% | 0.335 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.6 | -173.7 | -63 | -176 | 178.9 | 165.7 | 0 | 114.2 | P157 Y158 L160 L1139 S1142 | P157-K1144 WeakPolarHBondContact CG-O 3.42Å; Y158-K1144 HydrophobicContact CD1-CD 4.29Å; Y158-K1144 HydrophobicContact CD2-CB 3.49Å; Y158-K1144 VanDerWaalsContact CD2-CB 3.49Å; Y158-K1144 HydrophobicContact CD2-CD 3.98Å; Y158-K1144 HydrophobicContact CD2-CG 3.58Å; Y158-K1144 HydrophobicContact CE1-CD 4.36Å; Y158-K1144 HydrophobicContact CE1-CG 4.39Å; Y158-K1144 HydrophobicContact CE2-CB 3.65Å; Y158-K1144 HydrophobicContact CE2-CD 4.1Å; Y158-K1144 HydrophobicContact CE2-CG 3.38Å; Y158-K1144 HydrophobicContact CG-CB 4.33Å; Y158-K1144 HydrophobicContact CG-CD 4.09Å; Y158-K1144 HydrophobicContact CG-CG 4.2Å; L160-K1144 HydrophobicContact CD1-CB 4.44Å; L1139-K1144 HydrophobicContact CD2-CB 4.27Å; L1139-K1144 PolarHBondContact O-N 3.42Å; S1142-K1144 PolarHBondContact O-N 3.4Å; S1142-K1144 VanDerWaalsContact O-N 3.15Å; S1142-K1144 WeakPolarHBondContact OG-CD 3.38Å; S1142-K1144 WeakPolarHBondContact OG-CG 3.47Å |
| 1145 | N | 42.7 | Very low | 43.5 | Very low | 27 Ų | 27 | 83.5 Ų | 83.5 | 14% | 0.144 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 8.6 | -176.6 | -80.2 | -4.5 | 0 | 0 | 0 | 114.6 | L160 Y162 L1139 G1143 | L160-N1145 WeakPolarHBondContact CD1-OD1 3.43Å; Y162-N1145 PolarHBondContact OH-ND2 3.06Å; Y162-N1145 PolarHBondContact OH-OD1 3.31Å; L1139-N1145 WeakPolarHBondContact CD2-OD1 3.42Å; G1143-N1145 PolarHBondContact O-N 2.97Å |
| 1146 | M | 50.1 | Low | 42.4 | Very low | 30 Ų | 30 | 87 Ų | 87 | 15% | 0.148 | 49% | 0.493 | C | S | . | . | trans | -115.4 | 128.8 | -167 | -63.7 | -172.4 | 133.5 | 0 | 0 | 112.6 | M478 R513 T514 P515 V1148 | M478-M1146 HydrophobicContact CE-CE 3.97Å; R513-M1146 HydrophobicContact CB-CE 3.74Å; R513-M1146 HydrophobicContact CG-CE 3.72Å; R513-M1146 WeakPolarHBondContact O-CE 3.49Å; T514-M1146 WeakPolarHBondContact CA-SD 3.4Å; P515-M1146 HydrophobicContact CB-SD 4.5Å; P515-M1146 WeakPolarHBondContact CD-SD 3.35Å; P515-M1146 HydrophobicContact CG-SD 3.67Å; M1146-V1148 PolarHBondContact O-N 2.94Å | ||
| 1147 | R | 40.9 | Very low | 41.2 | Very low | 185 Ų | 185 | 93.7 Ų | 93.7 | 70% | 0.698 | 53% | 0.53 | S | S | * | . | trans | -63.6 | 121.3 | 171.3 | -74.8 | -178.8 | 173 | -163.4 | -11.6 | 108.6 | E240 S1149 | E240-R1147 IonicContact OE1-NH2 2.71Å; E240-R1147 PolarHBondContact OE1-NH2 2.79Å; E240-R1147 VanDerWaalsContact OE1-NH2 3.13Å; R1147-S1149 PolarHBondContact O-N 3.42Å | ||
| 1148 | V | 36.2 | Very low | 39.9 | Very low | 132 Ų | 132 | 102.4 Ų | 102.4 | 80% | 0.8 | 57% | 0.571 | S | S | * | * | trans | -63.2 | 106 | 166.1 | 179.9 | 0 | 0 | 0 | 0 | 106.6 | M1146 T1150 | M1146-V1148 PolarHBondContact O-N 2.94Å; V1148-T1150 PolarHBondContact O-N 3.08Å | ||
| 1149 | S | 29.3 | Very low | 38.5 | Very low | 95 Ų | 95 | 107.7 Ų | 107.7 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | trans | -60.1 | 111.7 | 173.5 | 55.8 | 0 | 0 | 0 | 0 | 108.2 | R1147 L1151 | R1147-S1149 PolarHBondContact O-N 3.42Å; S1149-L1151 PolarHBondContact O-N 3.27Å | ||
| 1150 | T | 25.4 | Very low | 37.1 | Very low | 143 Ų | 143 | 114.3 Ų | 114.3 | 88% | 0.877 | 62% | 0.619 | S | S | * | * | trans | -73.5 | 69.7 | 171.7 | -11.9 | 0 | 0 | 0 | 0 | 108.4 | V1148 | V1148-T1150 PolarHBondContact O-N 3.08Š| ||
| 1151 | L | 35.3 | Very low | 35.6 | Very low | 158 Ų | 158 | 118 Ų | 118 | 83% | 0.827 | 65% | 0.65 | S | S | * | * | trans | -151.7 | 60.9 | 178.3 | -105.5 | 151.6 | 0 | 0 | 0 | 109.7 | S1149 | S1149-L1151 PolarHBondContact O-N 3.27Š| ||
| 1152 | S | 33 | Very low | 34.4 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -169.7 | 93.6 | 147.1 | 52 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1153 | S | 25.2 | Very low | 33.4 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -123.6 | 104 | 148.8 | 57.9 | 0 | 0 | 0 | 0 | 108.1 | H1155 | S1153-H1155 PolarHBondContact O-N 2.87Š| ||
| 1154 | T | 31.1 | Very low | 32.5 | Very low | 139 Ų | 139 | 132 Ų | 132 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | trans | -60 | 108.6 | 162.8 | 28.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1155 | H | 27.7 | Very low | 31.6 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -130.5 | 104.2 | 159.6 | -102.6 | -70.1 | 0 | 0 | 0 | 110 | S1153 | S1153-H1155 PolarHBondContact O-N 2.87Š| ||
| 1156 | S | 26.3 | Very low | 31.2 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | 44.5 | 108.3 | 138.8 | 50.4 | 0 | 0 | 0 | 0 | 118.9 | E1158 | S1156-E1158 PolarHBondContact O-N 3.44Š| ||
| 1157 | L | 30.7 | Very low | 30.6 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 95% | 0.948 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -48 | 96.8 | 144.2 | -86.8 | 140.2 | 0 | 0 | 0 | 110.4 | ||
| 1158 | E | 28.2 | Very low | 30.4 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | 179.4 | 134.9 | 146.4 | -104.7 | 173.7 | -173 | 0 | 0 | 109.4 | S1156 | S1156-E1158 PolarHBondContact O-N 3.44Š| ||
| 1159 | R | 26.9 | Very low | 30.3 | Very low | 241 Ų | 241 | 146.6 Ų | 146.6 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | 94 | 70.6 | -176.8 | -57.6 | -178.3 | -168.6 | -160.5 | 3.8 | 116.4 | ||||
| 1160 | I | 26.1 | Very low | 30.7 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 93% | 0.928 | 80% | 0.799 | S | S | * | * | trans | -115.4 | 86.2 | 139.7 | -60 | 177.1 | 0 | 0 | 0 | 107.1 | ||||
| 1161 | A | 30.2 | Very low | 31.1 | Very low | 83 Ų | 83 | 147.7 Ų | 147.7 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | trans | -141.5 | 126.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 1162 | Q | 28.3 | Very low | 31.1 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | 80.3 | 92.1 | 174.9 | -52.2 | 176.4 | -14 | 0 | 0 | 116.6 | ||||
| 1163 | S | 27 | Very low | 31.1 | Very low | 120 Ų | 120 | 155.1 Ų | 155.1 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | 175.5 | 130.6 | 103.1 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1164 | S | 31.1 | Very low | 31.3 | Very low | 120 Ų | 120 | 158.6 Ų | 158.6 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -79.6 | 124.6 | -178.1 | 46.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1165 | S | 32.8 | Very low | 31.3 | Very low | 91 Ų | 91 | 159.5 Ų | 159.5 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -163.9 | 31.9 | 156 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | I1167 | S1165-I1167 VanDerWaalsContact C-N 3.26Å; S1165-I1167 PolarHBondContact O-N 3.02Å | ||
| 1166 | W | 32.8 | Very low | 31.5 | Very low | 225 Ų | 225 | 160.6 Ų | 160.6 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 0.1 | 178.6 | -148 | 65.8 | 0 | 0 | 0 | 114.1 | ||
| 1167 | I | 38.5 | Very low | 31.9 | Very low | 144 Ų | 144 | 163.2 Ų | 163.2 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -11.7 | -175.8 | -67.3 | 172.8 | 0 | 0 | 0 | 112.7 | S1165 | S1165-I1167 VanDerWaalsContact C-N 3.26Å; S1165-I1167 PolarHBondContact O-N 3.02Å |
| 1168 | E | 36 | Very low | 31.7 | Very low | 157 Ų | 157 | 160.3 Ų | 160.3 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -88.1 | -23.2 | -177.8 | -116.6 | 174.1 | 172.3 | 0 | 0 | 114.5 | ||
| 1169 | N | 35.4 | Very low | 31.7 | Very low | 140 Ų | 140 | 156.6 Ų | 156.6 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -84.9 | -11.8 | -179.7 | -82.1 | -23.2 | 0 | 0 | 0 | 114.4 | ||
| 1170 | I | 37.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 60% | 0.6 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -85.6 | -16.6 | 178.4 | -68 | 175.6 | 0 | 0 | 0 | 111.9 | ||
| 1171 | L | 34.1 | Very low | 32.3 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -92.4 | -4 | -179.7 | -90.6 | 154.6 | 0 | 0 | 0 | 115.1 | ||
| 1172 | K | 35.3 | Very low | 32.1 | Very low | 190 Ų | 190 | 152.6 Ų | 152.6 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -100.9 | -3.2 | 178.9 | -106 | -179.8 | 179.2 | 176.7 | 0 | 115.9 | ||
| 1173 | R | 32.1 | Very low | 32.2 | Very low | 241 Ų | 241 | 152.3 Ų | 152.3 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -105.6 | 9.7 | -178.5 | -114.2 | -177.5 | -177.3 | -174.7 | 0.9 | 115.2 | ||
| 1174 | K | 29.9 | Very low | 32.3 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -104.3 | 9.6 | -174 | -135.3 | -179.5 | -177.3 | -178 | 0 | 115.7 | ||
| 1175 | N | 31.1 | Very low | 32.2 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -124.9 | 20.7 | -171.9 | -92.1 | 8 | 0 | 0 | 0 | 116.9 | ||
| 1176 | E | 32.4 | Very low | 32.2 | Very low | 189 Ų | 189 | 160.3 Ų | 160.3 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -140.6 | 58.2 | 171.8 | -73.1 | -174.3 | 166.8 | 0 | 0 | 112.2 | ||
| 1177 | V | 33.8 | Very low | 32.2 | Very low | 149 Ų | 149 | 154.1 Ų | 154.1 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | trans | -146.5 | 92.3 | 159.6 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1178 | S | 27.1 | Very low | 32 | Very low | 120 Ų | 120 | 154.4 Ų | 154.4 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -169.3 | 100 | 158.6 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1179 | A | 26.8 | Very low | 31.9 | Very low | 105 Ų | 105 | 158.7 Ų | 158.7 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -173.1 | 110.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1180 | E | 30.7 | Very low | 31.9 | Very low | 191 Ų | 191 | 160 Ų | 160 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -73.4 | 169.8 | 170.4 | -102.9 | -177.6 | 173.8 | 0 | 0 | 112.6 | ||||
| 1181 | P | 35.7 | Very low | 31.7 | Very low | 123 Ų | 123 | 167.8 Ų | 167.8 | 80% | 0.799 | 86% | 0.864 | S | S | * | * | trans | -88.7 | 152.6 | -162.2 | 36 | -33.4 | 0 | 0 | 0 | 113.3 | ||||
| 1182 | A | 27.1 | Very low | 31.6 | Very low | 106 Ų | 106 | 168.9 Ų | 168.9 | 88% | 0.876 | 87% | 0.87 | S | S | * | * | trans | -113.2 | 145.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1183 | E | 28.6 | Very low | 31.4 | Very low | 184 Ų | 184 | 167.8 Ų | 167.8 | 86% | 0.86 | 87% | 0.872 | S | S | * | * | trans | -68 | 163.5 | -163.2 | -73.1 | 170.3 | 141.1 | 0 | 0 | 118 | ||||
| 1184 | S | 29.2 | Very low | 31.4 | Very low | 98 Ų | 98 | 163.7 Ų | 163.7 | 69% | 0.685 | 87% | 0.87 | S | S | * | * | trans | -23.8 | 136.1 | 157.5 | 57.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1185 | H | 28.8 | Very low | 31.5 | Very low | 196 Ų | 196 | 162.5 Ų | 162.5 | 91% | 0.907 | 87% | 0.874 | S | S | * | * | trans | -144.3 | 114.2 | 140.5 | -100.2 | -67.9 | 0 | 0 | 0 | 111.8 | ||||
| 1186 | K | 33 | Very low | 31.5 | Very low | 205 Ų | 205 | 162.8 Ų | 162.8 | 89% | 0.891 | 88% | 0.876 | S | S | * | * | trans | -68.2 | 137 | 152.6 | -81.3 | 174.8 | 171.1 | 175.9 | 0 | 108.5 | ||||
| 1187 | A | 32.3 | Very low | 31.4 | Very low | 94 Ų | 94 | 161.1 Ų | 161.1 | 78% | 0.777 | 88% | 0.875 | S | S | * | * | trans | -160.9 | 121.6 | 144.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1188 | D | 34.5 | Very low | 31.3 | Very low | 150 Ų | 150 | 161.9 Ų | 161.9 | 80% | 0.802 | 87% | 0.873 | S | S | * | * | trans | -16.1 | 139.3 | 152.8 | -60.8 | -48.1 | 0 | 0 | 0 | 117.1 | ||||
| 1189 | R | 34.6 | Very low | 31.6 | Very low | 247 Ų | 247 | 165.2 Ų | 165.2 | 93% | 0.932 | 88% | 0.876 | S | S | * | * | trans | -150.1 | 108.2 | 136.2 | -107.7 | 172.4 | -154.7 | -157 | 5.4 | 111.1 | K1191 | R1189-K1191 PolarHBondContact O-N 2.93Š| ||
| 1190 | L | 35.4 | Very low | 32 | Very low | 169 Ų | 169 | 170.2 Ų | 170.2 | 89% | 0.885 | 88% | 0.877 | S | S | * | * | trans | -47.1 | 120.6 | 147.6 | -82.3 | 127.6 | 0 | 0 | 0 | 110.4 | ||||
| 1191 | K | 33.9 | Very low | 32.1 | Very low | 279 Ų | 279 | 168.3 Ų | 168.3 | 100% | 1.213 | 88% | 0.875 | S | S | * | * | -172.8 | 0 | 121.9 | -104.8 | -177.4 | -179.8 | -177 | 0 | 110.3 | R1189 | R1189-K1191 PolarHBondContact O-N 2.93Š|
Retrieved 1,191 of 1,191 residues in 231.8 ms
(Link to these results)