| 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 | 40.7 | Very low | 59.4 | Low | 201 Ų | 201 | 109.5 Ų | 109.5 | 99% | 0.99 | 55% | 0.551 | S | S | * | * | 0 | -21.8 | 0 | -73.5 | -151.4 | 174 | 0 | 0 | 113.7 | D3 | M1-D3 PolarHBondContact O-N 2.82Š| |||
| 2 | S | 52.9 | Low | 60.4 | Low | 86 Ų | 86 | 100.7 Ų | 100.7 | 60% | 0.601 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.6 | -35.7 | 178.5 | 53.1 | 0 | 0 | 0 | 0 | 115 | S6 | S2-S6 VanDerWaalsContact O-CB 3.3Å; S2-S6 WeakPolarHBondContact O-CB 3.27Å; S2-S6 PolarHBondContact O-N 3.41Å; S2-S6 VanDerWaalsContact O-N 3.12Å |
| 3 | D | 53.5 | Low | 61.3 | Low | 129 Ų | 129 | 96.6 Ų | 96.6 | 69% | 0.69 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -80.2 | -37.7 | -168 | -66.1 | -4.5 | 0 | 0 | 0 | 113.6 | M1 S6 H7 | M1-D3 PolarHBondContact O-N 2.82Å; D3-S6 WeakPolarHBondContact O-CB 3.21Å; D3-S6 PolarHBondContact O-N 2.98Å; D3-H7 PolarHBondContact O-N 3.41Å |
| 4 | Q | 52.2 | Low | 62.5 | Low | 154 Ų | 154 | 99.8 Ų | 99.8 | 72% | 0.72 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.6 | -43.8 | 176.1 | -80.6 | -175.5 | -22 | 0 | 0 | 111.6 | S6 H7 I8 | Q4-S6 VanDerWaalsContact C-N 3.33Å; Q4-S6 PolarHBondContact O-N 2.62Å; Q4-H7 PolarHBondContact O-N 3.01Å; Q4-I8 WeakPolarHBondContact O-CB 3.42Å; Q4-I8 VanDerWaalsContact O-CG1 3.28Å; Q4-I8 WeakPolarHBondContact O-CG1 3.45Å; Q4-I8 PolarHBondContact O-N 3.49Å |
| 5 | Q | 55.5 | Low | 63.3 | Low | 97 Ų | 97 | 94.8 Ų | 94.8 | 45% | 0.453 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 176 | -74.1 | 179.2 | -33.7 | 0 | 0 | 111.7 | H7 R9 | Q5-H7 PolarHBondContact O-N 2.98Å; Q5-R9 WeakPolarHBondContact O-CB 3.24Å; Q5-R9 PolarHBondContact O-N 3.48Å |
| 6 | S | 63.7 | Low | 64.5 | Low | 55 Ų | 55 | 89.5 Ų | 89.5 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | S2 D3 Q4 R9 K10 | S2-S6 VanDerWaalsContact O-CB 3.3Å; S2-S6 WeakPolarHBondContact O-CB 3.27Å; S2-S6 PolarHBondContact O-N 3.41Å; S2-S6 VanDerWaalsContact O-N 3.12Å; D3-S6 WeakPolarHBondContact O-CB 3.21Å; D3-S6 PolarHBondContact O-N 2.98Å; Q4-S6 VanDerWaalsContact C-N 3.33Å; Q4-S6 PolarHBondContact O-N 2.62Å; S6-R9 PolarHBondContact O-N 3Å; S6-K10 PolarHBondContact O-N 3.42Å; S6-K10 VanDerWaalsContact O-N 3.07Å |
| 7 | H | 65.9 | Low | 65.4 | Low | 132 Ų | 132 | 87.8 Ų | 87.8 | 61% | 0.611 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.5 | -45.9 | -177.7 | -164.7 | 65.8 | 0 | 0 | 0 | 112.2 | D3 Q4 Q5 R9 K10 L11 | D3-H7 PolarHBondContact O-N 3.41Å; Q4-H7 PolarHBondContact O-N 3.01Å; Q5-H7 PolarHBondContact O-N 2.98Å; H7-R9 VanDerWaalsContact C-N 3.33Å; H7-R9 PolarHBondContact O-N 3.38Å; H7-K10 PolarHBondContact O-N 3.3Å; H7-L11 PolarHBondContact O-N 3.24Å |
| 8 | I | 62.2 | Low | 66.2 | Low | 75 Ų | 75 | 87.3 Ų | 87.3 | 39% | 0.385 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 177 | -76.2 | 179.1 | 0 | 0 | 0 | 110.8 | Q4 L11 I12 W41 | Q4-I8 WeakPolarHBondContact O-CB 3.42Å; Q4-I8 VanDerWaalsContact O-CG1 3.28Å; Q4-I8 WeakPolarHBondContact O-CG1 3.45Å; Q4-I8 PolarHBondContact O-N 3.49Å; I8-L11 WeakPolarHBondContact O-CB 3.44Å; I8-L11 PolarHBondContact O-N 2.94Å; I8-I12 PolarHBondContact O-N 3.21Å; I8-I12 VanDerWaalsContact O-N 3.15Å; I8-W41 HydrophobicContact CG2-CB 4.35Å; I8-W41 HydrophobicContact CG2-CG 3.85Å; I8-W41 VanDerWaalsContact CG2-NE1 3.32Å |
| 9 | R | 65 | Low | 67.1 | Low | 71 Ų | 71 | 83 Ų | 83 | 27% | 0.268 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.1 | -51.8 | 175.5 | -178.3 | 175.7 | 171.9 | 165.8 | 3.2 | 111.7 | Q5 S6 H7 L11 I12 E13 | Q5-R9 WeakPolarHBondContact O-CB 3.24Å; Q5-R9 PolarHBondContact O-N 3.48Å; S6-R9 PolarHBondContact O-N 3Å; H7-R9 VanDerWaalsContact C-N 3.33Å; H7-R9 PolarHBondContact O-N 3.38Å; R9-L11 PolarHBondContact O-N 3.2Å; R9-I12 PolarHBondContact O-N 3.39Å; R9-I12 VanDerWaalsContact O-N 3.14Å; R9-E13 HydrophobicContact CG-CG 4.32Å; R9-E13 WeakPolarHBondContact CG-OE1 3.46Å; R9-E13 IonicContact CZ-OE1 3.98Å; R9-E13 IonicContact NE-OE1 2.65Å; R9-E13 PolarHBondContact NE-OE1 3.38Å; R9-E13 IonicContact NH2-OE1 3.37Å; R9-E13 VanDerWaalsContact O-CG 3.29Å; R9-E13 WeakPolarHBondContact O-CG 3.24Å; R9-E13 PolarHBondContact O-N 3.25Å |
| 10 | K | 70.6 | Confident | 67.8 | Low | 132 Ų | 132 | 79 Ų | 79 | 57% | 0.574 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -57.2 | -34.5 | 177.2 | -76.7 | 179.8 | 179.2 | 175.3 | 0 | 112.8 | S6 H7 K14 | S6-K10 PolarHBondContact O-N 3.42Å; S6-K10 VanDerWaalsContact O-N 3.07Å; H7-K10 PolarHBondContact O-N 3.3Å; K10-K14 VanDerWaalsContact O-CB 3.26Å; K10-K14 WeakPolarHBondContact O-CB 3.43Å; K10-K14 PolarHBondContact O-N 3.43Å |
| 11 | L | 70.9 | Confident | 68.1 | Low | 73 Ų | 73 | 78.9 Ų | 78.9 | 38% | 0.382 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 177.8 | -167.1 | 76.4 | 0 | 0 | 0 | 111.7 | H7 I8 R9 K14 K15 | H7-L11 PolarHBondContact O-N 3.24Å; I8-L11 WeakPolarHBondContact O-CB 3.44Å; I8-L11 PolarHBondContact O-N 2.94Å; R9-L11 PolarHBondContact O-N 3.2Å; L11-K14 PolarHBondContact O-N 3.37Å; L11-K15 WeakPolarHBondContact O-CG 3.45Å; L11-K15 PolarHBondContact O-N 2.72Å |
| 12 | I | 71.6 | Confident | 69.7 | Low | 3 Ų | 3 | 76.2 Ų | 76.2 | 2% | 0.015 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 176.2 | -55.2 | 167.1 | 0 | 0 | 0 | 110.2 | I8 R9 K14 K15 F16 W41 A44 L48 | I8-I12 PolarHBondContact O-N 3.21Å; I8-I12 VanDerWaalsContact O-N 3.15Å; R9-I12 PolarHBondContact O-N 3.39Å; R9-I12 VanDerWaalsContact O-N 3.14Å; I12-K14 VanDerWaalsContact C-N 3.26Å; I12-K14 PolarHBondContact O-N 3.11Å; I12-K15 PolarHBondContact O-N 3.21Å; I12-K15 VanDerWaalsContact O-N 3.08Å; I12-F16 WeakPolarHBondContact O-CB 3.38Å; I12-F16 PolarHBondContact O-N 2.99Å; I12-W41 HydrophobicContact CD1-CD2 4.36Å; I12-W41 HydrophobicContact CD1-CG 4.06Å; I12-W41 HydrophobicContact CG1-CZ2 4.02Å; I12-A44 HydrophobicContact CD1-CB 3.83Å; I12-L48 HydrophobicContact CB-CD1 4.47Å; I12-L48 HydrophobicContact CG2-CD1 3.43Å; I12-L48 VanDerWaalsContact CG2-CD1 3.43Å |
| 13 | E | 72.7 | Confident | 70.7 | Confident | 48 Ų | 48 | 76 Ų | 76 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56 | -44.4 | 177.6 | -68.4 | -178.9 | 175.3 | 0 | 0 | 110.8 | R9 S17 F31 | R9-E13 HydrophobicContact CG-CG 4.32Å; R9-E13 WeakPolarHBondContact CG-OE1 3.46Å; R9-E13 IonicContact CZ-OE1 3.98Å; R9-E13 IonicContact NE-OE1 2.65Å; R9-E13 PolarHBondContact NE-OE1 3.38Å; R9-E13 IonicContact NH2-OE1 3.37Å; R9-E13 VanDerWaalsContact O-CG 3.29Å; R9-E13 WeakPolarHBondContact O-CG 3.24Å; R9-E13 PolarHBondContact O-N 3.25Å; E13-S17 VanDerWaalsContact O-CB 3.28Å; E13-S17 WeakPolarHBondContact O-CB 3.21Å; E13-S17 PolarHBondContact O-N 3.3Å; E13-F31 HydrophobicContact CB-CE2 4.28Å; E13-F31 HydrophobicContact CB-CZ 4.03Å; E13-F31 HydrophobicContact CG-CD1 4.42Å; E13-F31 HydrophobicContact CG-CD2 4.46Å; E13-F31 HydrophobicContact CG-CE1 3.75Å; E13-F31 HydrophobicContact CG-CE2 3.85Å; E13-F31 HydrophobicContact CG-CZ 3.48Å; E13-F31 VanDerWaalsContact CG-CZ 3.48Å |
| 14 | K | 77.4 | Confident | 71.3 | Confident | 141 Ų | 141 | 72.6 Ų | 72.6 | 61% | 0.613 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64 | -44.4 | 175.3 | -172 | 178.6 | -179.8 | -178.2 | 0 | 111.9 | K10 L11 I12 S17 I18 | K10-K14 VanDerWaalsContact O-CB 3.26Å; K10-K14 WeakPolarHBondContact O-CB 3.43Å; K10-K14 PolarHBondContact O-N 3.43Å; L11-K14 PolarHBondContact O-N 3.37Å; I12-K14 VanDerWaalsContact C-N 3.26Å; I12-K14 PolarHBondContact O-N 3.11Å; K14-S17 PolarHBondContact O-N 3.45Å; K14-I18 HydrophobicContact CG-CD1 3.92Å; K14-I18 WeakPolarHBondContact O-CB 3.31Å; K14-I18 WeakPolarHBondContact O-CD1 3.1Å; K14-I18 WeakPolarHBondContact O-CG1 3.17Å; K14-I18 PolarHBondContact O-N 3.02Å |
| 15 | K | 75.4 | Confident | 72.2 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 11% | 0.109 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 178.2 | -78.2 | -168.9 | 178 | -167.3 | 0 | 112.4 | L11 I12 I18 F19 F64 T68 | L11-K15 WeakPolarHBondContact O-CG 3.45Å; L11-K15 PolarHBondContact O-N 2.72Å; I12-K15 PolarHBondContact O-N 3.21Å; I12-K15 VanDerWaalsContact O-N 3.08Å; K15-I18 PolarHBondContact O-N 3.06Å; K15-F19 WeakPolarHBondContact O-CB 3.42Å; K15-F19 PolarHBondContact O-N 3.39Å; K15-F64 HydrophobicContact CB-CE1 4.22Å; K15-F64 HydrophobicContact CG-CE1 4.47Å; K15-T68 WeakPolarHBondContact CE-OG1 3.15Å; K15-T68 PolarHBondContact NZ-O 2.85Å; K15-T68 PolarHBondContact NZ-OG1 3.21Å |
| 16 | F | 82.2 | Confident | 72.6 | Confident | 10 Ų | 10 | 66 Ų | 66 | 4% | 0.044 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.8 | -172.6 | -101.6 | 0 | 0 | 0 | 110.8 | I12 I18 F19 C20 L48 L52 F61 | I12-F16 WeakPolarHBondContact O-CB 3.38Å; I12-F16 PolarHBondContact O-N 2.99Å; F16-I18 PolarHBondContact O-N 2.73Å; F16-F19 PolarHBondContact O-N 3.01Å; F16-C20 VanDerWaalsContact CE1-SG 3.58Å; F16-C20 VanDerWaalsContact O-CB 3.32Å; F16-C20 WeakPolarHBondContact O-CB 3.25Å; F16-C20 PolarHBondContact O-N 3.41Å; F16-C20 PolarHBondContact O-SG 3.27Å; F16-L48 HydrophobicContact CB-CD1 4.33Å; F16-L48 HydrophobicContact CD1-CD2 4.18Å; F16-L48 HydrophobicContact CD2-CB 3.97Å; F16-L48 HydrophobicContact CD2-CD2 4.37Å; F16-L48 HydrophobicContact CE1-CD2 4.25Å; F16-L48 HydrophobicContact CE2-CB 4.1Å; F16-L48 HydrophobicContact CE2-CD2 4.43Å; F16-L48 WeakPolarHBondContact CE2-O 3.29Å; F16-L48 HydrophobicContact CG-CD1 4.43Å; F16-L48 HydrophobicContact CG-CD2 4.24Å; F16-L48 HydrophobicContact CZ-CD2 4.37Å; F16-L52 HydrophobicContact CE2-CD1 4.17Å; F16-L52 HydrophobicContact CE2-CD2 3.78Å; F16-L52 HydrophobicContact CE2-CG 3.86Å; F16-L52 HydrophobicContact CZ-CD2 3.89Å; F16-L52 HydrophobicContact CZ-CG 4.27Å; F16-F61 HydrophobicContact CB-CE2 4.12Å; F16-F61 HydrophobicContact CB-CZ 4.15Å; F16-F61 HydrophobicContact CD2-CD2 4.22Å; F16-F61 HydrophobicContact CD2-CE1 4.07Å; F16-F61 AromaticContact CD2-CE2 3.74Å; F16-F61 HydrophobicContact CD2-CE2 3.74Å; F16-F61 AromaticContact CD2-CZ 3.65Å; F16-F61 HydrophobicContact CD2-CZ 3.65Å; F16-F61 HydrophobicContact CG-CE2 4.42Å; F16-F61 HydrophobicContact CG-CZ 4.41Å |
| 17 | S | 79.3 | Confident | 72.4 | Confident | 60 Ų | 60 | 66.2 Ų | 66.2 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 174.6 | -175.2 | 0 | 0 | 0 | 0 | 112.2 | E13 K14 C20 A21 | E13-S17 VanDerWaalsContact O-CB 3.28Å; E13-S17 WeakPolarHBondContact O-CB 3.21Å; E13-S17 PolarHBondContact O-N 3.3Å; K14-S17 PolarHBondContact O-N 3.45Å; S17-C20 PolarHBondContact O-N 2.92Å; S17-A21 VanDerWaalsContact O-CB 3.23Å; S17-A21 WeakPolarHBondContact O-CB 3.05Å; S17-A21 PolarHBondContact O-N 3.49Å |
| 18 | I | 79.7 | Confident | 71.9 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 41% | 0.41 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 175.4 | -71.3 | 164.9 | 0 | 0 | 0 | 110.9 | K14 K15 F16 A21 K22 F64 | K14-I18 HydrophobicContact CG-CD1 3.92Å; K14-I18 WeakPolarHBondContact O-CB 3.31Å; K14-I18 WeakPolarHBondContact O-CD1 3.1Å; K14-I18 WeakPolarHBondContact O-CG1 3.17Å; K14-I18 PolarHBondContact O-N 3.02Å; K15-I18 PolarHBondContact O-N 3.06Å; F16-I18 PolarHBondContact O-N 2.73Å; I18-A21 PolarHBondContact O-N 2.9Å; I18-K22 WeakPolarHBondContact O-CB 3.31Å; I18-K22 PolarHBondContact O-N 3.43Å; I18-F64 HydrophobicContact CG2-CZ 3.99Å |
| 19 | F | 83.8 | Confident | 71.6 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 2% | 0.022 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.3 | -50.1 | 178 | 178.4 | -96 | 0 | 0 | 0 | 111.3 | K15 F16 A21 K22 E23 I25 L52 L57 A60 F61 F64 | K15-F19 WeakPolarHBondContact O-CB 3.42Å; K15-F19 PolarHBondContact O-N 3.39Å; F16-F19 PolarHBondContact O-N 3.01Å; F19-A21 VanDerWaalsContact C-N 3.28Å; F19-A21 PolarHBondContact O-N 3.26Å; F19-K22 WeakPolarHBondContact O-CB 3.46Å; F19-K22 PolarHBondContact O-N 3.26Å; F19-K22 VanDerWaalsContact O-N 3.08Å; F19-E23 HydrophobicContact CD1-CG 4.43Å; F19-E23 HydrophobicContact CD2-CG 4.33Å; F19-E23 HydrophobicContact CE1-CG 3.97Å; F19-E23 HydrophobicContact CE2-CG 3.87Å; F19-E23 HydrophobicContact CZ-CG 3.67Å; F19-E23 PolarHBondContact O-N 2.85Å; F19-I25 HydrophobicContact CE1-CD1 4.33Å; F19-L52 HydrophobicContact CE1-CD1 4.06Å; F19-L52 HydrophobicContact CE1-CD2 4.4Å; F19-L57 HydrophobicContact CZ-CD2 4.45Å; F19-A60 HydrophobicContact CE2-CB 4.09Å; F19-A60 HydrophobicContact CZ-CB 3.89Å; F19-F61 HydrophobicContact CB-CD2 3.87Å; F19-F61 HydrophobicContact CB-CE2 4.26Å; F19-F61 HydrophobicContact CD1-CB 4.02Å; F19-F61 AromaticContact CD1-CD2 3.73Å; F19-F61 HydrophobicContact CD1-CD2 3.73Å; F19-F61 HydrophobicContact CD1-CG 4.26Å; F19-F61 HydrophobicContact CD2-CB 4.48Å; F19-F61 HydrophobicContact CD2-CD2 4.2Å; F19-F61 HydrophobicContact CE1-CB 3.74Å; F19-F61 HydrophobicContact CE1-CD2 4.34Å; F19-F61 HydrophobicContact CE1-CG 4.44Å; F19-F61 HydrophobicContact CE2-CB 4.22Å; F19-F61 HydrophobicContact CG-CB 4.39Å; F19-F61 AromaticContact CG-CD2 3.66Å; F19-F61 HydrophobicContact CG-CD2 3.66Å; F19-F61 HydrophobicContact CG-CG 4.49Å; F19-F61 HydrophobicContact CZ-CB 3.84Å; F19-F64 HydrophobicContact CB-CD1 4.06Å; F19-F64 HydrophobicContact CB-CE1 4.2Å; F19-F64 HydrophobicContact CD2-CB 3.92Å; F19-F64 HydrophobicContact CD2-CD1 4.11Å; F19-F64 AromaticContact CD2-CG 3.99Å; F19-F64 HydrophobicContact CD2-CG 3.99Å; F19-F64 HydrophobicContact CE2-CB 4.29Å; F19-F64 HydrophobicContact CG-CD1 4.49Å |
| 20 | C | 81.6 | Confident | 71.1 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.014 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.5 | -39.6 | 175.5 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | F16 S17 G24 I25 C27 | F16-C20 VanDerWaalsContact CE1-SG 3.58Å; F16-C20 VanDerWaalsContact O-CB 3.32Å; F16-C20 WeakPolarHBondContact O-CB 3.25Å; F16-C20 PolarHBondContact O-N 3.41Å; F16-C20 PolarHBondContact O-SG 3.27Å; S17-C20 PolarHBondContact O-N 2.92Å; C20-G24 CarbonylContact O-C 3.52Å; C20-G24 VanDerWaalsContact O-CA 3.26Å; C20-G24 WeakPolarHBondContact O-CA 3.2Å; C20-G24 PolarHBondContact O-N 3.05Å; C20-I25 HydrophobicContact CB-CB 4.2Å; C20-I25 PolarHBondContact O-N 2.97Å; C20-C27 HydrophobicContact CB-CB 4.4Å |
| 21 | A | 74.2 | Confident | 70.4 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.3 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S17 I18 F19 G24 | S17-A21 VanDerWaalsContact O-CB 3.23Å; S17-A21 WeakPolarHBondContact O-CB 3.05Å; S17-A21 PolarHBondContact O-N 3.49Å; I18-A21 PolarHBondContact O-N 2.9Å; F19-A21 VanDerWaalsContact C-N 3.28Å; F19-A21 PolarHBondContact O-N 3.26Å; A21-G24 PolarHBondContact O-N 2.92Å |
| 22 | K | 73.2 | Confident | 69.6 | Low | 146 Ų | 146 | 67.7 Ų | 67.7 | 64% | 0.635 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -67 | -43.7 | 179.1 | -162.8 | -178.8 | -179.2 | -171.2 | 0 | 111.5 | I18 F19 | I18-K22 WeakPolarHBondContact O-CB 3.31Å; I18-K22 PolarHBondContact O-N 3.43Å; F19-K22 WeakPolarHBondContact O-CB 3.46Å; F19-K22 PolarHBondContact O-N 3.26Å; F19-K22 VanDerWaalsContact O-N 3.08Å |
| 23 | E | 74.1 | Confident | 68.8 | Low | 82 Ų | 82 | 72.3 Ų | 72.3 | 38% | 0.383 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -80.6 | -22.3 | 178 | -64.7 | -51.3 | 130.4 | 0 | 0 | 112.7 | F19 I25 L57 K1221 | F19-E23 HydrophobicContact CD1-CG 4.43Å; F19-E23 HydrophobicContact CD2-CG 4.33Å; F19-E23 HydrophobicContact CE1-CG 3.97Å; F19-E23 HydrophobicContact CE2-CG 3.87Å; F19-E23 HydrophobicContact CZ-CG 3.67Å; F19-E23 PolarHBondContact O-N 2.85Å; E23-I25 HydrophobicContact CB-CD1 4.02Å; E23-I25 HydrophobicContact CB-CG1 4.08Å; E23-L57 HydrophobicContact CB-CD2 4.4Å; E23-L57 HydrophobicContact CG-CD2 4.28Å; E23-K1221 PolarHBondContact O-NZ 3.07Å |
| 24 | G | 65.9 | Low | 67.9 | Low | 57 Ų | 57 | 75.4 Ų | 75.4 | 59% | 0.588 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 33.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C20 A21 | C20-G24 CarbonylContact O-C 3.52Å; C20-G24 VanDerWaalsContact O-CA 3.26Å; C20-G24 WeakPolarHBondContact O-CA 3.2Å; C20-G24 PolarHBondContact O-N 3.05Å; A21-G24 PolarHBondContact O-N 2.92Å |
| 25 | I | 71.2 | Confident | 67 | Low | 46 Ų | 46 | 69 Ų | 69 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | trans | -87.7 | 132.5 | 176.1 | -54.2 | 168.1 | 0 | 0 | 0 | 108.1 | F19 C20 E23 C27 L52 L57 | F19-I25 HydrophobicContact CE1-CD1 4.33Å; C20-I25 HydrophobicContact CB-CB 4.2Å; C20-I25 PolarHBondContact O-N 2.97Å; E23-I25 HydrophobicContact CB-CD1 4.02Å; E23-I25 HydrophobicContact CB-CG1 4.08Å; I25-C27 PolarHBondContact O-N 2.69Å; I25-L52 HydrophobicContact CD1-CD2 3.8Å; I25-L57 HydrophobicContact CD1-CD1 3.73Å; I25-L57 HydrophobicContact CD1-CD2 3.95Å; I25-L57 HydrophobicContact CD1-CG 4.32Å; I25-L57 HydrophobicContact CG1-CD1 4.41Å | ||
| 26 | G | 65.2 | Low | 66.2 | Low | 67 Ų | 67 | 72.6 Ų | 72.6 | 69% | 0.691 | 42% | 0.421 | S | S | * | . | trans | -63.2 | 121.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D28 | G26-D28 VanDerWaalsContact C-N 3.35Å; G26-D28 PolarHBondContact O-N 2.92Å | ||
| 27 | C | 58.8 | Low | 65.2 | Low | 58 Ų | 58 | 79.1 Ų | 79.1 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | trans | -96.2 | 57.7 | 179.4 | -139 | 0 | 0 | 0 | 0 | 109.9 | C20 I25 F29 | C20-C27 HydrophobicContact CB-CB 4.4Å; I25-C27 PolarHBondContact O-N 2.69Å; C27-F29 PolarHBondContact O-N 2.91Å | ||
| 28 | D | 55.1 | Low | 64.2 | Low | 162 Ų | 162 | 78.7 Ų | 78.7 | 87% | 0.866 | 45% | 0.447 | S | S | * | . | trans | -80.2 | 19.4 | 174.9 | -79 | -20.9 | 0 | 0 | 0 | 112.3 | G26 K30 | G26-D28 VanDerWaalsContact C-N 3.35Å; G26-D28 PolarHBondContact O-N 2.92Å; D28-K30 PolarHBondContact O-N 3.38Å | ||
| 29 | F | 55.8 | Low | 63.4 | Low | 57 Ų | 57 | 80.2 Ų | 80.2 | 25% | 0.25 | 46% | 0.46 | C | S | . | . | trans | -79.1 | 94.2 | 179.9 | -158.2 | -99.6 | 0 | 0 | 0 | 109.6 | C27 F31 Y47 K51 | C27-F29 PolarHBondContact O-N 2.91Å; F29-F31 HydrophobicContact CD1-CD1 4.02Å; F29-F31 HydrophobicContact CD1-CE1 4.2Å; F29-F31 HydrophobicContact CD1-CG 4.24Å; F29-F31 HydrophobicContact CE1-CD1 4.06Å; F29-F31 HydrophobicContact CE1-CE1 4.45Å; F29-F31 PolarHBondContact O-N 3.49Å; F29-F31 VanDerWaalsContact O-N 3.16Å; F29-Y47 HydrophobicContact CE1-CE1 4.27Å; F29-Y47 AromaticContact CZ-CE1 3.97Å; F29-Y47 HydrophobicContact CZ-CE1 3.97Å; F29-K51 HydrophobicContact CE2-CD 3.79Å; F29-K51 HydrophobicContact CE2-CG 3.91Å; F29-K51 HydrophobicContact CZ-CD 4.21Å; F29-K51 HydrophobicContact CZ-CG 4.14Å | ||
| 30 | K | 54.5 | Low | 62.8 | Low | 197 Ų | 197 | 81.7 Ų | 81.7 | 86% | 0.857 | 47% | 0.469 | S | S | * | . | trans | -66 | 108.5 | 158.9 | -77.8 | -175.5 | 177.3 | 179.6 | 0 | 106.7 | D28 S32 | D28-K30 PolarHBondContact O-N 3.38Å; K30-S32 PolarHBondContact O-N 3.14Å | ||
| 31 | F | 55.7 | Low | 62.2 | Low | 66 Ų | 66 | 84.1 Ų | 84.1 | 29% | 0.289 | 48% | 0.478 | S | S | . | . | trans | -51.3 | 106 | 176.9 | -75.2 | -84.6 | 0 | 0 | 0 | 109.6 | E13 F29 M35 L48 | E13-F31 HydrophobicContact CB-CE2 4.28Å; E13-F31 HydrophobicContact CB-CZ 4.03Å; E13-F31 HydrophobicContact CG-CD1 4.42Å; E13-F31 HydrophobicContact CG-CD2 4.46Å; E13-F31 HydrophobicContact CG-CE1 3.75Å; E13-F31 HydrophobicContact CG-CE2 3.85Å; E13-F31 HydrophobicContact CG-CZ 3.48Å; E13-F31 VanDerWaalsContact CG-CZ 3.48Å; F29-F31 HydrophobicContact CD1-CD1 4.02Å; F29-F31 HydrophobicContact CD1-CE1 4.2Å; F29-F31 HydrophobicContact CD1-CG 4.24Å; F29-F31 HydrophobicContact CE1-CD1 4.06Å; F29-F31 HydrophobicContact CE1-CE1 4.45Å; F29-F31 PolarHBondContact O-N 3.49Å; F29-F31 VanDerWaalsContact O-N 3.16Å; F31-M35 HydrophobicContact CD1-SD 3.35Å; F31-M35 WeakPolarHBondContact CD1-SD 3.1Å; F31-M35 HydrophobicContact CE1-SD 3.62Å; F31-L48 HydrophobicContact CE1-CD1 4.38Å; F31-L48 HydrophobicContact CE1-CD2 3.79Å; F31-L48 HydrophobicContact CZ-CD2 4.28Å | ||
| 32 | S | 53.7 | Low | 62.2 | Low | 33 Ų | 33 | 80.6 Ų | 80.6 | 23% | 0.231 | 45% | 0.448 | C | S | . | . | trans | -62.5 | 158 | -176.2 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | K30 E34 M35 | K30-S32 PolarHBondContact O-N 3.14Å; S32-E34 PolarHBondContact O-N 2.98Å; S32-E34 PolarHBondContact OG-OE2 3.21Å; S32-E34 VanDerWaalsContact OG-OE2 3.11Å; S32-M35 PolarHBondContact O-N 3Å | ||
| 33 | S | 55 | Low | 62.4 | Low | 99 Ų | 99 | 77 Ų | 77 | 69% | 0.692 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -52.2 | -23.6 | 168.8 | 42.8 | 0 | 0 | 0 | 0 | 112.5 | M35 V36 | S33-M35 VanDerWaalsContact C-N 3.32Å; S33-M35 PolarHBondContact O-N 3.38Å; S33-V36 VanDerWaalsContact O-CB 3.22Å; S33-V36 WeakPolarHBondContact O-CB 2.95Å; S33-V36 WeakPolarHBondContact O-CG2 3.5Å; S33-V36 PolarHBondContact O-N 3.11Å; S33-V36 VanDerWaalsContact O-N 3.11Å |
| 34 | E | 55 | Low | 62.5 | Low | 114 Ų | 114 | 73.6 Ų | 73.6 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -61.9 | -34.9 | 175.9 | -61.3 | 168.9 | 147.1 | 0 | 0 | 113 | S32 V36 L37 Y47 | S32-E34 PolarHBondContact O-N 2.98Å; S32-E34 PolarHBondContact OG-OE2 3.21Å; S32-E34 VanDerWaalsContact OG-OE2 3.11Å; E34-V36 PolarHBondContact O-N 2.95Å; E34-L37 WeakPolarHBondContact O-CB 3.38Å; E34-L37 PolarHBondContact O-N 3.24Å; E34-L37 VanDerWaalsContact O-N 3.1Å; E34-Y47 PolarHBondContact OE2-OH 3.07Å |
| 35 | M | 58.4 | Low | 63.2 | Low | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.025 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -71.7 | -15.5 | 178.8 | -144.3 | -161.1 | 172.6 | 0 | 0 | 112.3 | F31 S32 S33 L37 I38 A44 Y47 L48 | F31-M35 HydrophobicContact CD1-SD 3.35Å; F31-M35 WeakPolarHBondContact CD1-SD 3.1Å; F31-M35 HydrophobicContact CE1-SD 3.62Å; S32-M35 PolarHBondContact O-N 3Å; S33-M35 VanDerWaalsContact C-N 3.32Å; S33-M35 PolarHBondContact O-N 3.38Å; M35-L37 PolarHBondContact O-N 3.15Å; M35-I38 HydrophobicContact CG-CD1 4.05Å; M35-I38 PolarHBondContact O-N 3.38Å; M35-A44 HydrophobicContact CE-CB 3.51Å; M35-Y47 HydrophobicContact CG-CD1 4.41Å; M35-L48 HydrophobicContact CE-CD1 4.05Å; M35-L48 HydrophobicContact CE-CG 4.34Å |
| 36 | V | 58 | Low | 63.8 | Low | 102 Ų | 102 | 69.9 Ų | 69.9 | 62% | 0.618 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -68.8 | -21.3 | 173.1 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | S33 E34 | S33-V36 VanDerWaalsContact O-CB 3.22Å; S33-V36 WeakPolarHBondContact O-CB 2.95Å; S33-V36 WeakPolarHBondContact O-CG2 3.5Å; S33-V36 PolarHBondContact O-N 3.11Å; S33-V36 VanDerWaalsContact O-N 3.11Å; E34-V36 PolarHBondContact O-N 2.95Å |
| 37 | L | 60.6 | Low | 64.6 | Low | 147 Ų | 147 | 68.8 Ų | 68.8 | 77% | 0.77 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -87 | -11.9 | 179.5 | -67.5 | 164 | 0 | 0 | 0 | 113.7 | E34 M35 T39 | E34-L37 WeakPolarHBondContact O-CB 3.38Å; E34-L37 PolarHBondContact O-N 3.24Å; E34-L37 VanDerWaalsContact O-N 3.1Å; M35-L37 PolarHBondContact O-N 3.15Å; L37-T39 PolarHBondContact O-N 3Å |
| 38 | I | 59.3 | Low | 65.6 | Low | 50 Ų | 50 | 66 Ų | 66 | 26% | 0.256 | 35% | 0.345 | S | S | . | . | trans | -85.9 | 113.5 | -176.9 | -55.6 | 177.5 | 0 | 0 | 0 | 109.8 | M35 D40 D43 A44 Y47 | M35-I38 HydrophobicContact CG-CD1 4.05Å; M35-I38 PolarHBondContact O-N 3.38Å; I38-D40 WeakPolarHBondContact CG2-O 3.39Å; I38-D43 HydrophobicContact CG2-CB 3.51Å; I38-A44 HydrophobicContact CG2-CB 4.11Å; I38-Y47 HydrophobicContact CD1-CD1 4.29Å; I38-Y47 HydrophobicContact CD1-CD2 4.41Å; I38-Y47 HydrophobicContact CD1-CG 4Å | ||
| 39 | T | 62.9 | Low | 67 | Low | 112 Ų | 112 | 58.3 Ų | 58.3 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | trans | -94.6 | -20.1 | -177.9 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | L37 | L37-T39 PolarHBondContact O-N 3Š| ||
| 40 | D | 71 | Confident | 68.4 | Low | 36 Ų | 36 | 60.7 Ų | 60.7 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -99.4 | 139.1 | -177.4 | -160.8 | -33.7 | 0 | 0 | 0 | 111.7 | I38 T42 D43 A44 K75 | I38-D40 WeakPolarHBondContact CG2-O 3.39Å; D40-T42 VanDerWaalsContact C-N 3.3Å; D40-T42 PolarHBondContact O-N 3.06Å; D40-T42 PolarHBondContact OD1-N 3.27Å; D40-T42 PolarHBondContact OD1-OG1 3.05Å; D40-D43 HydrophobicContact CB-CB 4.27Å; D40-A44 PolarHBondContact O-N 3Å; D40-K75 IonicContact OD2-NZ 3.11Å; D40-K75 PolarHBondContact OD2-NZ 3.31Å |
| 41 | W | 69.5 | Low | 69.7 | Low | 54 Ų | 54 | 56 Ų | 56 | 21% | 0.205 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -39.4 | -178.5 | -165.8 | 55.7 | 0 | 0 | 0 | 112.3 | I8 I12 A44 L45 A69 L72 | I8-W41 HydrophobicContact CG2-CB 4.35Å; I8-W41 HydrophobicContact CG2-CG 3.85Å; I8-W41 VanDerWaalsContact CG2-NE1 3.32Å; I12-W41 HydrophobicContact CD1-CD2 4.36Å; I12-W41 HydrophobicContact CD1-CG 4.06Å; I12-W41 HydrophobicContact CG1-CZ2 4.02Å; W41-A44 PolarHBondContact O-N 3.24Å; W41-L45 HydrophobicContact CE3-CD1 4.37Å; W41-L45 HydrophobicContact CH2-CD1 3.79Å; W41-L45 HydrophobicContact CZ2-CD1 4.39Å; W41-L45 HydrophobicContact CZ3-CD1 3.74Å; W41-L45 WeakPolarHBondContact O-CB 3.32Å; W41-L45 PolarHBondContact O-N 3.04Å; W41-A69 HydrophobicContact CH2-CB 3.85Å; W41-L72 HydrophobicContact CE3-CD2 3.47Å; W41-L72 VanDerWaalsContact CE3-CD2 3.47Å; W41-L72 HydrophobicContact CH2-CD2 4.38Å; W41-L72 HydrophobicContact CZ3-CD2 3.21Å; W41-L72 HydrophobicContact CZ3-CG 4.18Å |
| 42 | T | 73.5 | Confident | 71 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.4 | -40.5 | -174.8 | -34.7 | 0 | 0 | 0 | 0 | 110.7 | D40 A44 L45 L46 A76 Q79 I80 | D40-T42 VanDerWaalsContact C-N 3.3Å; D40-T42 PolarHBondContact O-N 3.06Å; D40-T42 PolarHBondContact OD1-N 3.27Å; D40-T42 PolarHBondContact OD1-OG1 3.05Å; T42-A44 VanDerWaalsContact C-N 3.31Å; T42-A44 PolarHBondContact O-N 3.17Å; T42-L45 PolarHBondContact O-N 3.49Å; T42-L46 HydrophobicContact CG2-CD1 4.3Å; T42-L46 WeakPolarHBondContact O-CB 3.48Å; T42-L46 WeakPolarHBondContact O-CG 3.44Å; T42-L46 PolarHBondContact O-N 3.06Å; T42-A76 HydrophobicContact CG2-CB 3.87Å; T42-A76 WeakPolarHBondContact OG1-CA 3.17Å; T42-A76 WeakPolarHBondContact OG1-CB 3.38Å; T42-Q79 HydrophobicContact CG2-CB 3.97Å; T42-Q79 PolarHBondContact OG1-OE1 3.31Å; T42-I80 HydrophobicContact CG2-CG1 4.15Å |
| 43 | D | 77.5 | Confident | 72.2 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 174.9 | -70.9 | -18.8 | 0 | 0 | 0 | 110.9 | I38 D40 Y47 | I38-D43 HydrophobicContact CG2-CB 3.51Å; D40-D43 HydrophobicContact CB-CB 4.27Å; D43-Y47 WeakPolarHBondContact O-CB 3.42Å; D43-Y47 PolarHBondContact O-N 3.27Å |
| 44 | A | 76.1 | Confident | 73.5 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I12 M35 I38 D40 W41 T42 L48 | I12-A44 HydrophobicContact CD1-CB 3.83Å; M35-A44 HydrophobicContact CE-CB 3.51Å; I38-A44 HydrophobicContact CG2-CB 4.11Å; D40-A44 PolarHBondContact O-N 3Å; W41-A44 PolarHBondContact O-N 3.24Å; T42-A44 VanDerWaalsContact C-N 3.31Å; T42-A44 PolarHBondContact O-N 3.17Å; A44-L48 WeakPolarHBondContact O-CG 3.41Å; A44-L48 PolarHBondContact O-N 3.47Å; A44-L48 VanDerWaalsContact O-N 3.07Å |
| 45 | L | 81.3 | Confident | 74.9 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69 | -45.8 | 179 | -178.3 | 144 | 0 | 0 | 0 | 111.9 | W41 T42 L48 C49 F61 L62 C65 | W41-L45 HydrophobicContact CE3-CD1 4.37Å; W41-L45 HydrophobicContact CH2-CD1 3.79Å; W41-L45 HydrophobicContact CZ2-CD1 4.39Å; W41-L45 HydrophobicContact CZ3-CD1 3.74Å; W41-L45 WeakPolarHBondContact O-CB 3.32Å; W41-L45 PolarHBondContact O-N 3.04Å; T42-L45 PolarHBondContact O-N 3.49Å; L45-L48 PolarHBondContact O-N 3.45Å; L45-C49 WeakPolarHBondContact O-CB 3.45Å; L45-C49 PolarHBondContact O-N 2.77Å; L45-F61 HydrophobicContact CG-CE1 4.43Å; L45-L62 HydrophobicContact CD2-CD2 3.35Å; L45-C65 HydrophobicContact CD1-CB 3.9Å |
| 46 | L | 82.6 | Confident | 75.9 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -38 | 175.4 | -71.2 | 174.3 | 0 | 0 | 0 | 111.6 | T42 L48 C49 L50 Q79 Y83 | T42-L46 HydrophobicContact CG2-CD1 4.3Å; T42-L46 WeakPolarHBondContact O-CB 3.48Å; T42-L46 WeakPolarHBondContact O-CG 3.44Å; T42-L46 PolarHBondContact O-N 3.06Å; L46-L48 PolarHBondContact O-N 2.86Å; L46-C49 WeakPolarHBondContact O-CB 3.4Å; L46-C49 PolarHBondContact O-N 3.19Å; L46-L50 WeakPolarHBondContact O-CG 3.26Å; L46-L50 PolarHBondContact O-N 2.96Å; L46-Q79 HydrophobicContact CD1-CB 4.43Å; L46-Y83 HydrophobicContact CD2-CD1 3.89Å; L46-Y83 HydrophobicContact CD2-CD2 4.19Å; L46-Y83 HydrophobicContact CD2-CG 3.68Å |
| 47 | Y | 82.2 | Confident | 77.1 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 173.4 | 179.4 | -101.7 | 0 | 0 | 0 | 111.5 | F29 E34 M35 I38 D43 L50 K51 | F29-Y47 HydrophobicContact CE1-CE1 4.27Å; F29-Y47 AromaticContact CZ-CE1 3.97Å; F29-Y47 HydrophobicContact CZ-CE1 3.97Å; E34-Y47 PolarHBondContact OE2-OH 3.07Å; M35-Y47 HydrophobicContact CG-CD1 4.41Å; I38-Y47 HydrophobicContact CD1-CD1 4.29Å; I38-Y47 HydrophobicContact CD1-CD2 4.41Å; I38-Y47 HydrophobicContact CD1-CG 4Å; D43-Y47 WeakPolarHBondContact O-CB 3.42Å; D43-Y47 PolarHBondContact O-N 3.27Å; Y47-L50 PolarHBondContact O-N 3.37Å; Y47-K51 WeakPolarHBondContact O-CG 3.46Å; Y47-K51 PolarHBondContact O-N 3.27Å; Y47-K51 WeakPolarHBondContact OH-CE 3.36Å; Y47-K51 PolarHBondContact OH-NZ 3.19Å |
| 48 | L | 80.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 176.9 | -76.4 | 169.5 | 0 | 0 | 0 | 112.8 | I12 F16 F31 M35 A44 L45 L46 L50 K51 F61 | I12-L48 HydrophobicContact CB-CD1 4.47Å; I12-L48 HydrophobicContact CG2-CD1 3.43Å; I12-L48 VanDerWaalsContact CG2-CD1 3.43Å; F16-L48 HydrophobicContact CB-CD1 4.33Å; F16-L48 HydrophobicContact CD1-CD2 4.18Å; F16-L48 HydrophobicContact CD2-CB 3.97Å; F16-L48 HydrophobicContact CD2-CD2 4.37Å; F16-L48 HydrophobicContact CE1-CD2 4.25Å; F16-L48 HydrophobicContact CE2-CB 4.1Å; F16-L48 HydrophobicContact CE2-CD2 4.43Å; F16-L48 WeakPolarHBondContact CE2-O 3.29Å; F16-L48 HydrophobicContact CG-CD1 4.43Å; F16-L48 HydrophobicContact CG-CD2 4.24Å; F16-L48 HydrophobicContact CZ-CD2 4.37Å; F31-L48 HydrophobicContact CE1-CD1 4.38Å; F31-L48 HydrophobicContact CE1-CD2 3.79Å; F31-L48 HydrophobicContact CZ-CD2 4.28Å; M35-L48 HydrophobicContact CE-CD1 4.05Å; M35-L48 HydrophobicContact CE-CG 4.34Å; A44-L48 WeakPolarHBondContact O-CG 3.41Å; A44-L48 PolarHBondContact O-N 3.47Å; A44-L48 VanDerWaalsContact O-N 3.07Å; L45-L48 PolarHBondContact O-N 3.45Å; L46-L48 PolarHBondContact O-N 2.86Å; L48-L50 PolarHBondContact O-N 2.89Å; L48-K51 PolarHBondContact O-N 3.33Å; L48-F61 HydrophobicContact CB-CE1 4.37Å |
| 49 | C | 84.2 | Confident | 80 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.9 | -53.9 | 171.5 | -168 | 0 | 0 | 0 | 0 | 109.9 | L45 L46 K51 L52 Q58 F61 | L45-C49 WeakPolarHBondContact O-CB 3.45Å; L45-C49 PolarHBondContact O-N 2.77Å; L46-C49 WeakPolarHBondContact O-CB 3.4Å; L46-C49 PolarHBondContact O-N 3.19Å; C49-K51 PolarHBondContact O-N 3.41Å; C49-L52 VanDerWaalsContact O-CB 3.31Å; C49-L52 WeakPolarHBondContact O-CB 3.45Å; C49-L52 PolarHBondContact O-N 3.09Å; C49-Q58 VanDerWaalsContact O-CG 3.28Å; C49-Q58 WeakPolarHBondContact O-CG 3.45Å; C49-Q58 VanDerWaalsContact SG-CA 3.59Å; C49-Q58 WeakPolarHBondContact SG-CB 3.44Å; C49-Q58 PolarHBondContact SG-O 3.2Å; C49-F61 HydrophobicContact CB-CD1 4.22Å |
| 50 | L | 84.5 | Confident | 81.1 | Confident | 106 Ų | 106 | 43.4 Ų | 43.4 | 56% | 0.555 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.5 | -16.4 | -179.6 | -71.4 | 170.1 | 0 | 0 | 0 | 114.8 | L46 Y47 L48 L52 Y83 | L46-L50 WeakPolarHBondContact O-CG 3.26Å; L46-L50 PolarHBondContact O-N 2.96Å; Y47-L50 PolarHBondContact O-N 3.37Å; L48-L50 PolarHBondContact O-N 2.89Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L50-Y83 HydrophobicContact CD2-CE2 3.91Å; L50-Y83 HydrophobicContact CG-CE2 4.5Å |
| 51 | K | 81.5 | Confident | 82 | Confident | 100 Ų | 100 | 41.7 Ų | 41.7 | 44% | 0.435 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -13.7 | 172.9 | -63.7 | -60 | -178.4 | -179.4 | 0 | 113.4 | F29 Y47 L48 C49 | F29-K51 HydrophobicContact CE2-CD 3.79Å; F29-K51 HydrophobicContact CE2-CG 3.91Å; F29-K51 HydrophobicContact CZ-CD 4.21Å; F29-K51 HydrophobicContact CZ-CG 4.14Å; Y47-K51 WeakPolarHBondContact O-CG 3.46Å; Y47-K51 PolarHBondContact O-N 3.27Å; Y47-K51 WeakPolarHBondContact OH-CE 3.36Å; Y47-K51 PolarHBondContact OH-NZ 3.19Å; L48-K51 PolarHBondContact O-N 3.33Å; C49-K51 PolarHBondContact O-N 3.41Å |
| 52 | L | 83.4 | Confident | 82.8 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -73.2 | 140.9 | 174.5 | -65.5 | 167.8 | 0 | 0 | 0 | 110 | F16 F19 I25 C49 L50 N54 L57 Q58 F61 | F16-L52 HydrophobicContact CE2-CD1 4.17Å; F16-L52 HydrophobicContact CE2-CD2 3.78Å; F16-L52 HydrophobicContact CE2-CG 3.86Å; F16-L52 HydrophobicContact CZ-CD2 3.89Å; F16-L52 HydrophobicContact CZ-CG 4.27Å; F19-L52 HydrophobicContact CE1-CD1 4.06Å; F19-L52 HydrophobicContact CE1-CD2 4.4Å; I25-L52 HydrophobicContact CD1-CD2 3.8Å; C49-L52 VanDerWaalsContact O-CB 3.31Å; C49-L52 WeakPolarHBondContact O-CB 3.45Å; C49-L52 PolarHBondContact O-N 3.09Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L52-N54 VanDerWaalsContact C-N 3.29Å; L52-N54 PolarHBondContact O-N 3.03Å; L52-L57 HydrophobicContact CB-CB 4.25Å; L52-Q58 HydrophobicContact CB-CG 3.89Å; L52-Q58 PolarHBondContact O-NE2 3.15Å; L52-F61 HydrophobicContact CD1-CB 3.45Å; L52-F61 VanDerWaalsContact CD1-CB 3.45Å; L52-F61 HydrophobicContact CD1-CD1 4.13Å; L52-F61 HydrophobicContact CD1-CG 3.86Å |
| 53 | P | 77.8 | Confident | 83.4 | Confident | 101 Ų | 101 | 42.1 Ų | 42.1 | 66% | 0.656 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -73.1 | -16.8 | -162.5 | 27.6 | -35.8 | 0 | 0 | 0 | 114.6 | L57 | P53-L57 HydrophobicContact CG-CD1 3.8Š|
| 54 | N | 82.7 | Confident | 83.7 | Confident | 77 Ų | 77 | 40.6 Ų | 40.6 | 41% | 0.412 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -147.3 | 157 | 179.1 | 65.1 | 49.4 | 0 | 0 | 0 | 111.9 | L52 K56 L57 Q58 | L52-N54 VanDerWaalsContact C-N 3.29Å; L52-N54 PolarHBondContact O-N 3.03Å; N54-K56 PolarHBondContact O-N 2.84Å; N54-K56 PolarHBondContact OD1-N 3.33Å; N54-L57 PolarHBondContact O-N 2.95Å; N54-L57 WeakPolarHBondContact OD1-CB 3.25Å; N54-L57 WeakPolarHBondContact OD1-CG 3.34Å; N54-L57 PolarHBondContact OD1-N 3.36Å; N54-Q58 VanDerWaalsContact O-CG 3.28Å; N54-Q58 WeakPolarHBondContact O-CG 3.4Å; N54-Q58 PolarHBondContact O-N 3.38Å |
| 55 | T | 84 | Confident | 84 | Confident | 51 Ų | 51 | 40.4 Ų | 40.4 | 31% | 0.313 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.3 | -32.7 | -178.2 | -38.3 | 0 | 0 | 0 | 0 | 112.9 | Q58 L59 V87 V105 | T55-Q58 WeakPolarHBondContact O-CB 3.39Å; T55-Q58 PolarHBondContact O-N 3.2Å; T55-L59 HydrophobicContact CG2-CD1 4.44Å; T55-L59 HydrophobicContact CG2-CG 4.5Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.33Å; T55-L59 PolarHBondContact O-N 3Å; T55-V87 HydrophobicContact CG2-CG1 3.37Å; T55-V87 HydrophobicContact CG2-CG2 4.5Å; T55-V105 HydrophobicContact CG2-CG1 3.74Å |
| 56 | K | 81.3 | Confident | 83.9 | Confident | 134 Ų | 134 | 40.8 Ų | 40.8 | 58% | 0.583 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66.2 | -43 | 179.3 | -170.4 | 175.2 | -178.8 | 175.2 | 0 | 112.1 | N54 A60 | N54-K56 PolarHBondContact O-N 2.84Å; N54-K56 PolarHBondContact OD1-N 3.33Å; K56-A60 WeakPolarHBondContact O-CB 3.49Å; K56-A60 PolarHBondContact O-N 2.64Å |
| 57 | L | 83.2 | Confident | 83.5 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.6 | -36.6 | 175.1 | -72.9 | 170.3 | 0 | 0 | 0 | 111.6 | F19 E23 I25 L52 P53 N54 A60 F61 | F19-L57 HydrophobicContact CZ-CD2 4.45Å; E23-L57 HydrophobicContact CB-CD2 4.4Å; E23-L57 HydrophobicContact CG-CD2 4.28Å; I25-L57 HydrophobicContact CD1-CD1 3.73Å; I25-L57 HydrophobicContact CD1-CD2 3.95Å; I25-L57 HydrophobicContact CD1-CG 4.32Å; I25-L57 HydrophobicContact CG1-CD1 4.41Å; L52-L57 HydrophobicContact CB-CB 4.25Å; P53-L57 HydrophobicContact CG-CD1 3.8Å; N54-L57 PolarHBondContact O-N 2.95Å; N54-L57 WeakPolarHBondContact OD1-CB 3.25Å; N54-L57 WeakPolarHBondContact OD1-CG 3.34Å; N54-L57 PolarHBondContact OD1-N 3.36Å; L57-A60 PolarHBondContact O-N 3.15Å; L57-F61 WeakPolarHBondContact O-CB 3.35Å; L57-F61 PolarHBondContact O-N 3.43Å |
| 58 | Q | 89.9 | Confident | 82.9 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.4 | -53.1 | 173.1 | -71.2 | 174 | 3.7 | 0 | 0 | 111.2 | C49 L52 N54 T55 A60 F61 L62 Y83 | C49-Q58 VanDerWaalsContact O-CG 3.28Å; C49-Q58 WeakPolarHBondContact O-CG 3.45Å; C49-Q58 VanDerWaalsContact SG-CA 3.59Å; C49-Q58 WeakPolarHBondContact SG-CB 3.44Å; C49-Q58 PolarHBondContact SG-O 3.2Å; L52-Q58 HydrophobicContact CB-CG 3.89Å; L52-Q58 PolarHBondContact O-NE2 3.15Å; N54-Q58 VanDerWaalsContact O-CG 3.28Å; N54-Q58 WeakPolarHBondContact O-CG 3.4Å; N54-Q58 PolarHBondContact O-N 3.38Å; T55-Q58 WeakPolarHBondContact O-CB 3.39Å; T55-Q58 PolarHBondContact O-N 3.2Å; Q58-A60 PolarHBondContact O-N 2.95Å; Q58-F61 PolarHBondContact O-N 3.33Å; Q58-L62 PolarHBondContact O-N 3.34Å; Q58-Y83 PolarHBondContact OE1-OH 2.98Å |
| 59 | L | 89.9 | Confident | 82.1 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 178.2 | -63.5 | 176.6 | 0 | 0 | 0 | 112.6 | T55 F61 L62 D63 L84 V105 C109 L112 | T55-L59 HydrophobicContact CG2-CD1 4.44Å; T55-L59 HydrophobicContact CG2-CG 4.5Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.33Å; T55-L59 PolarHBondContact O-N 3Å; L59-F61 VanDerWaalsContact C-N 3.29Å; L59-F61 PolarHBondContact O-N 3.12Å; L59-L62 HydrophobicContact CD2-CD1 4.44Å; L59-L62 PolarHBondContact O-N 3.43Å; L59-D63 WeakPolarHBondContact O-CB 3.36Å; L59-D63 PolarHBondContact O-N 2.97Å; L59-L84 HydrophobicContact CD2-CD2 3.41Å; L59-L84 VanDerWaalsContact CD2-CD2 3.41Å; L59-V105 HydrophobicContact CD1-CB 4.39Å; L59-V105 HydrophobicContact CD1-CG1 3.64Å; L59-C109 VanDerWaalsContact CD1-SG 3.52Å; L59-L112 HydrophobicContact CB-CD1 4.19Å; L59-L112 HydrophobicContact CD2-CD1 4.01Å |
| 60 | A | 86.5 | Confident | 80.7 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 31% | 0.314 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F19 K56 L57 Q58 F64 | F19-A60 HydrophobicContact CE2-CB 4.09Å; F19-A60 HydrophobicContact CZ-CB 3.89Å; K56-A60 WeakPolarHBondContact O-CB 3.49Å; K56-A60 PolarHBondContact O-N 2.64Å; L57-A60 PolarHBondContact O-N 3.15Å; Q58-A60 PolarHBondContact O-N 2.95Å; A60-F64 VanDerWaalsContact O-CB 3.3Å; A60-F64 WeakPolarHBondContact O-CB 3.38Å; A60-F64 PolarHBondContact O-N 2.85Å |
| 61 | F | 88.9 | Confident | 79.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69 | -41.6 | 173.6 | 177 | -115 | 0 | 0 | 0 | 111.7 | F16 F19 L45 L48 C49 L52 L57 Q58 L59 F64 C65 | F16-F61 HydrophobicContact CB-CE2 4.12Å; F16-F61 HydrophobicContact CB-CZ 4.15Å; F16-F61 HydrophobicContact CD2-CD2 4.22Å; F16-F61 HydrophobicContact CD2-CE1 4.07Å; F16-F61 AromaticContact CD2-CE2 3.74Å; F16-F61 HydrophobicContact CD2-CE2 3.74Å; F16-F61 AromaticContact CD2-CZ 3.65Å; F16-F61 HydrophobicContact CD2-CZ 3.65Å; F16-F61 HydrophobicContact CG-CE2 4.42Å; F16-F61 HydrophobicContact CG-CZ 4.41Å; F19-F61 HydrophobicContact CB-CD2 3.87Å; F19-F61 HydrophobicContact CB-CE2 4.26Å; F19-F61 HydrophobicContact CD1-CB 4.02Å; F19-F61 AromaticContact CD1-CD2 3.73Å; F19-F61 HydrophobicContact CD1-CD2 3.73Å; F19-F61 HydrophobicContact CD1-CG 4.26Å; F19-F61 HydrophobicContact CD2-CB 4.48Å; F19-F61 HydrophobicContact CD2-CD2 4.2Å; F19-F61 HydrophobicContact CE1-CB 3.74Å; F19-F61 HydrophobicContact CE1-CD2 4.34Å; F19-F61 HydrophobicContact CE1-CG 4.44Å; F19-F61 HydrophobicContact CE2-CB 4.22Å; F19-F61 HydrophobicContact CG-CB 4.39Å; F19-F61 AromaticContact CG-CD2 3.66Å; F19-F61 HydrophobicContact CG-CD2 3.66Å; F19-F61 HydrophobicContact CG-CG 4.49Å; F19-F61 HydrophobicContact CZ-CB 3.84Å; L45-F61 HydrophobicContact CG-CE1 4.43Å; L48-F61 HydrophobicContact CB-CE1 4.37Å; C49-F61 HydrophobicContact CB-CD1 4.22Å; L52-F61 HydrophobicContact CD1-CB 3.45Å; L52-F61 VanDerWaalsContact CD1-CB 3.45Å; L52-F61 HydrophobicContact CD1-CD1 4.13Å; L52-F61 HydrophobicContact CD1-CG 3.86Å; L57-F61 WeakPolarHBondContact O-CB 3.35Å; L57-F61 PolarHBondContact O-N 3.43Å; Q58-F61 PolarHBondContact O-N 3.33Å; L59-F61 VanDerWaalsContact C-N 3.29Å; L59-F61 PolarHBondContact O-N 3.12Å; F61-F64 PolarHBondContact O-N 3.46Å; F61-C65 WeakPolarHBondContact CE2-SG 3.44Å; F61-C65 WeakPolarHBondContact CZ-SG 3.28Å; F61-C65 WeakPolarHBondContact O-CB 3.21Å; F61-C65 PolarHBondContact O-N 2.77Å; F61-C65 PolarHBondContact O-SG 3.18Å |
| 62 | L | 87.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 173.7 | -71.4 | 179 | 0 | 0 | 0 | 111.5 | L45 Q58 L59 F64 C65 L66 Y83 L84 L112 | L45-L62 HydrophobicContact CD2-CD2 3.35Å; Q58-L62 PolarHBondContact O-N 3.34Å; L59-L62 HydrophobicContact CD2-CD1 4.44Å; L59-L62 PolarHBondContact O-N 3.43Å; L62-F64 PolarHBondContact O-N 3.39Å; L62-C65 WeakPolarHBondContact O-CB 3.4Å; L62-C65 PolarHBondContact O-N 3.41Å; L62-C65 VanDerWaalsContact O-N 3.13Å; L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 WeakPolarHBondContact O-CG 3.12Å; L62-L66 PolarHBondContact O-N 3.13Å; L62-Y83 HydrophobicContact CD1-CD1 3.77Å; L62-Y83 HydrophobicContact CD1-CE1 3.58Å; L62-L84 HydrophobicContact CD1-CD2 4.15Å; L62-L112 HydrophobicContact CB-CD1 4.34Å |
| 63 | D | 86.1 | Confident | 78 | Confident | 65 Ų | 65 | 57 Ų | 57 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 175.9 | -174.9 | 39.9 | 0 | 0 | 0 | 111.4 | L59 C65 L66 Q67 L112 | L59-D63 WeakPolarHBondContact O-CB 3.36Å; L59-D63 PolarHBondContact O-N 2.97Å; D63-C65 VanDerWaalsContact C-N 3.27Å; D63-C65 PolarHBondContact O-N 3.18Å; D63-L66 PolarHBondContact O-N 2.91Å; D63-Q67 WeakPolarHBondContact O-CB 3.28Å; D63-Q67 WeakPolarHBondContact O-CG 3.31Å; D63-Q67 PolarHBondContact O-N 3.34Å; D63-Q67 PolarHBondContact OD1-NE2 3.2Å; D63-Q67 PolarHBondContact OD2-NE2 3.38Å; D63-L112 HydrophobicContact CB-CD2 3.76Å |
| 64 | F | 83.9 | Confident | 77.6 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 17% | 0.171 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.2 | -40.4 | 174.7 | 176.1 | -103.4 | 0 | 0 | 0 | 112.3 | K15 I18 F19 A60 F61 L62 T68 | K15-F64 HydrophobicContact CB-CE1 4.22Å; K15-F64 HydrophobicContact CG-CE1 4.47Å; I18-F64 HydrophobicContact CG2-CZ 3.99Å; F19-F64 HydrophobicContact CB-CD1 4.06Å; F19-F64 HydrophobicContact CB-CE1 4.2Å; F19-F64 HydrophobicContact CD2-CB 3.92Å; F19-F64 HydrophobicContact CD2-CD1 4.11Å; F19-F64 AromaticContact CD2-CG 3.99Å; F19-F64 HydrophobicContact CD2-CG 3.99Å; F19-F64 HydrophobicContact CE2-CB 4.29Å; F19-F64 HydrophobicContact CG-CD1 4.49Å; A60-F64 VanDerWaalsContact O-CB 3.3Å; A60-F64 WeakPolarHBondContact O-CB 3.38Å; A60-F64 PolarHBondContact O-N 2.85Å; F61-F64 PolarHBondContact O-N 3.46Å; L62-F64 PolarHBondContact O-N 3.39Å; F64-T68 HydrophobicContact CD2-CG2 4.44Å; F64-T68 HydrophobicContact CE2-CG2 4.22Å; F64-T68 WeakPolarHBondContact O-CB 3.29Å; F64-T68 VanDerWaalsContact O-CG2 3.27Å; F64-T68 WeakPolarHBondContact O-CG2 3.43Å; F64-T68 PolarHBondContact O-N 3.03Å; F64-T68 PolarHBondContact O-OG1 3.32Å |
| 65 | C | 82.2 | Confident | 77.3 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.034 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 177.2 | -71.5 | 0 | 0 | 0 | 0 | 111.8 | L45 F61 L62 D63 Q67 T68 A69 | L45-C65 HydrophobicContact CD1-CB 3.9Å; F61-C65 WeakPolarHBondContact CE2-SG 3.44Å; F61-C65 WeakPolarHBondContact CZ-SG 3.28Å; F61-C65 WeakPolarHBondContact O-CB 3.21Å; F61-C65 PolarHBondContact O-N 2.77Å; F61-C65 PolarHBondContact O-SG 3.18Å; L62-C65 WeakPolarHBondContact O-CB 3.4Å; L62-C65 PolarHBondContact O-N 3.41Å; L62-C65 VanDerWaalsContact O-N 3.13Å; D63-C65 VanDerWaalsContact C-N 3.27Å; D63-C65 PolarHBondContact O-N 3.18Å; C65-Q67 PolarHBondContact O-N 3.09Å; C65-T68 PolarHBondContact O-N 3.14Å; C65-T68 VanDerWaalsContact O-N 3.17Å; C65-T68 PolarHBondContact O-OG1 3.28Å; C65-A69 WeakPolarHBondContact O-CB 3.39Å; C65-A69 PolarHBondContact O-N 3.3Å |
| 66 | L | 79.1 | Confident | 77 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | -178.3 | -74.4 | 167.5 | 0 | 0 | 0 | 112.3 | L62 D63 T68 L72 I80 L112 Y115 | L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 WeakPolarHBondContact O-CG 3.12Å; L62-L66 PolarHBondContact O-N 3.13Å; D63-L66 PolarHBondContact O-N 2.91Å; L66-T68 PolarHBondContact O-N 3.33Å; L66-L72 HydrophobicContact CD2-CD1 3.29Å; L66-I80 HydrophobicContact CD2-CD1 4.43Å; L66-L112 HydrophobicContact CD1-CD2 3.57Å; L66-Y115 HydrophobicContact CB-CD1 4.23Å; L66-Y115 HydrophobicContact CB-CE1 3.87Å; L66-Y115 HydrophobicContact CD1-CD1 4.18Å; L66-Y115 HydrophobicContact CD2-CD1 4.12Å; L66-Y115 HydrophobicContact CD2-CE1 3.86Å; L66-Y115 HydrophobicContact CG-CD1 4.42Å; L66-Y115 HydrophobicContact CG-CE1 4.31Å; L66-Y115 PolarHBondContact O-OH 3.06Å |
| 67 | Q | 74.5 | Confident | 76.8 | Confident | 135 Ų | 135 | 50.9 Ų | 50.9 | 63% | 0.631 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -70.6 | -17.8 | 177.3 | -69 | 179.7 | 15.8 | 0 | 0 | 113.7 | D63 C65 | D63-Q67 WeakPolarHBondContact O-CB 3.28Å; D63-Q67 WeakPolarHBondContact O-CG 3.31Å; D63-Q67 PolarHBondContact O-N 3.34Å; D63-Q67 PolarHBondContact OD1-NE2 3.2Å; D63-Q67 PolarHBondContact OD2-NE2 3.38Å; C65-Q67 PolarHBondContact O-N 3.09Å |
| 68 | T | 69.1 | Low | 76.7 | Confident | 66 Ų | 66 | 50 Ų | 50 | 41% | 0.405 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -118.4 | -5 | -172.7 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | K15 F64 C65 L66 | K15-T68 WeakPolarHBondContact CE-OG1 3.15Å; K15-T68 PolarHBondContact NZ-O 2.85Å; K15-T68 PolarHBondContact NZ-OG1 3.21Å; F64-T68 HydrophobicContact CD2-CG2 4.44Å; F64-T68 HydrophobicContact CE2-CG2 4.22Å; F64-T68 WeakPolarHBondContact O-CB 3.29Å; F64-T68 VanDerWaalsContact O-CG2 3.27Å; F64-T68 WeakPolarHBondContact O-CG2 3.43Å; F64-T68 PolarHBondContact O-N 3.03Å; F64-T68 PolarHBondContact O-OG1 3.32Å; C65-T68 PolarHBondContact O-N 3.14Å; C65-T68 VanDerWaalsContact O-N 3.17Å; C65-T68 PolarHBondContact O-OG1 3.28Å; L66-T68 PolarHBondContact O-N 3.33Å |
| 69 | A | 63.7 | Low | 76.3 | Confident | 20 Ų | 20 | 51 Ų | 51 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -96.8 | 134.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W41 C65 L71 | W41-A69 HydrophobicContact CH2-CB 3.85Å; C65-A69 WeakPolarHBondContact O-CB 3.39Å; C65-A69 PolarHBondContact O-N 3.3Å; A69-L71 PolarHBondContact O-N 3.38Å |
| 70 | P | 54.4 | Low | 76.1 | Confident | 113 Ų | 113 | 51 Ų | 51 | 73% | 0.734 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -69.7 | 120.5 | 170.2 | 27.2 | -29.2 | 0 | 0 | 0 | 109.4 | ||
| 71 | L | 55.1 | Low | 76 | Confident | 166 Ų | 166 | 49.1 Ų | 49.1 | 87% | 0.869 | 26% | 0.26 | S | S | * | . | trans | 29.2 | 89.1 | 167.9 | -78.7 | 144.3 | 0 | 0 | 0 | 114.8 | A69 | A69-L71 PolarHBondContact O-N 3.38Š| ||
| 72 | L | 66.7 | Low | 75.9 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 13% | 0.131 | 28% | 0.281 | C | S | . | . | trans | -56.8 | 138.1 | 160.5 | -80.1 | 172 | 0 | 0 | 0 | 109.8 | W41 L66 A76 M77 I80 | W41-L72 HydrophobicContact CE3-CD2 3.47Å; W41-L72 VanDerWaalsContact CE3-CD2 3.47Å; W41-L72 HydrophobicContact CH2-CD2 4.38Å; W41-L72 HydrophobicContact CZ3-CD2 3.21Å; W41-L72 HydrophobicContact CZ3-CG 4.18Å; L66-L72 HydrophobicContact CD2-CD1 3.29Å; L72-A76 HydrophobicContact CB-CB 4.43Å; L72-A76 HydrophobicContact CD2-CB 3.67Å; L72-M77 HydrophobicContact CB-CE 4.43Å; L72-M77 HydrophobicContact CB-CG 3.77Å; L72-M77 HydrophobicContact CD1-CG 4.21Å; L72-M77 WeakPolarHBondContact O-CE 3.47Å; L72-I80 HydrophobicContact CD1-CD1 3.64Å | ||
| 73 | D | 72.2 | Confident | 75.9 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | trans | -71.7 | 165 | 171.3 | 68.4 | 2.8 | 0 | 0 | 0 | 111.1 | K75 A76 M77 | D73-K75 PolarHBondContact O-N 2.87Å; D73-A76 PolarHBondContact O-N 3.01Å; D73-A76 WeakPolarHBondContact OD1-CB 3.43Å; D73-A76 PolarHBondContact OD1-N 3.25Å; D73-M77 PolarHBondContact O-N 2.94Å; D73-M77 VanDerWaalsContact O-N 3.08Å | ||
| 74 | E | 69.7 | Low | 76.1 | Confident | 96 Ų | 96 | 51.4 Ų | 51.4 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.6 | -36.2 | -179.2 | -75.7 | 175.6 | -167.7 | 0 | 0 | 112.3 | M77 G78 H121 | E74-M77 PolarHBondContact O-N 3.18Å; E74-G78 PolarHBondContact O-N 3.3Å; E74-H121 WeakPolarHBondContact OE1-CB 3.28Å |
| 75 | K | 75.5 | Confident | 76.3 | Confident | 126 Ų | 126 | 50 Ų | 50 | 55% | 0.548 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 179.7 | -170.2 | -170 | 172.5 | -144.7 | 0 | 111 | D40 D73 G78 Q79 | D40-K75 IonicContact OD2-NZ 3.11Å; D40-K75 PolarHBondContact OD2-NZ 3.31Å; D73-K75 PolarHBondContact O-N 2.87Å; K75-G78 PolarHBondContact O-N 2.88Å; K75-Q79 PolarHBondContact O-N 3.32Å |
| 76 | A | 77.1 | Confident | 76.5 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T42 L72 D73 G78 Q79 I80 | T42-A76 HydrophobicContact CG2-CB 3.87Å; T42-A76 WeakPolarHBondContact OG1-CA 3.17Å; T42-A76 WeakPolarHBondContact OG1-CB 3.38Å; L72-A76 HydrophobicContact CB-CB 4.43Å; L72-A76 HydrophobicContact CD2-CB 3.67Å; D73-A76 PolarHBondContact O-N 3.01Å; D73-A76 WeakPolarHBondContact OD1-CB 3.43Å; D73-A76 PolarHBondContact OD1-N 3.25Å; A76-G78 VanDerWaalsContact C-N 3.32Å; A76-G78 PolarHBondContact O-N 3.04Å; A76-Q79 PolarHBondContact O-N 3.26Å; A76-I80 WeakPolarHBondContact O-CG1 3.49Å; A76-I80 PolarHBondContact O-N 3.42Å |
| 77 | M | 78.5 | Confident | 77 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.049 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 175.5 | -75 | -158.2 | -98.8 | 0 | 0 | 112 | L72 D73 E74 I80 I81 C116 S120 | L72-M77 HydrophobicContact CB-CE 4.43Å; L72-M77 HydrophobicContact CB-CG 3.77Å; L72-M77 HydrophobicContact CD1-CG 4.21Å; L72-M77 WeakPolarHBondContact O-CE 3.47Å; D73-M77 PolarHBondContact O-N 2.94Å; D73-M77 VanDerWaalsContact O-N 3.08Å; E74-M77 PolarHBondContact O-N 3.18Å; M77-I80 PolarHBondContact O-N 3.32Å; M77-I81 VanDerWaalsContact O-CG1 3.3Å; M77-I81 WeakPolarHBondContact O-CG1 3.22Å; M77-I81 PolarHBondContact O-N 3.11Å; M77-C116 HydrophobicContact SD-CB 4.37Å; M77-S120 VanDerWaalsContact CE-CB 3.48Å |
| 78 | G | 79.8 | Confident | 77.7 | Confident | 12 Ų | 12 | 50.8 Ų | 50.8 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58 | -47.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E74 K75 A76 I80 I81 E82 | E74-G78 PolarHBondContact O-N 3.3Å; K75-G78 PolarHBondContact O-N 2.88Å; A76-G78 VanDerWaalsContact C-N 3.32Å; A76-G78 PolarHBondContact O-N 3.04Å; G78-I80 PolarHBondContact O-N 3.36Å; G78-I81 WeakPolarHBondContact O-CB 3.47Å; G78-I81 PolarHBondContact O-N 2.94Å; G78-E82 PolarHBondContact O-N 3.45Å |
| 79 | Q | 82.1 | Confident | 78.5 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -36.7 | 177.3 | -71.5 | 177.8 | -39.7 | 0 | 0 | 112.8 | T42 L46 K75 A76 E82 Y83 | T42-Q79 HydrophobicContact CG2-CB 3.97Å; T42-Q79 PolarHBondContact OG1-OE1 3.31Å; L46-Q79 HydrophobicContact CD1-CB 4.43Å; K75-Q79 PolarHBondContact O-N 3.32Å; A76-Q79 PolarHBondContact O-N 3.26Å; Q79-E82 PolarHBondContact O-N 3.25Å; Q79-Y83 PolarHBondContact O-N 3.2Å |
| 80 | I | 85.5 | Confident | 79.4 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 173.9 | -68.2 | 167.8 | 0 | 0 | 0 | 110.4 | T42 L66 L72 A76 M77 G78 Y83 L84 | T42-I80 HydrophobicContact CG2-CG1 4.15Å; L66-I80 HydrophobicContact CD2-CD1 4.43Å; L72-I80 HydrophobicContact CD1-CD1 3.64Å; A76-I80 WeakPolarHBondContact O-CG1 3.49Å; A76-I80 PolarHBondContact O-N 3.42Å; M77-I80 PolarHBondContact O-N 3.32Å; G78-I80 PolarHBondContact O-N 3.36Å; I80-Y83 PolarHBondContact O-N 2.93Å; I80-L84 HydrophobicContact CG2-CD1 3.87Å; I80-L84 HydrophobicContact CG2-CG 4.23Å; I80-L84 WeakPolarHBondContact O-CB 3.46Å; I80-L84 VanDerWaalsContact O-CG 3.25Å; I80-L84 WeakPolarHBondContact O-CG 3.22Å; I80-L84 PolarHBondContact O-N 3.26Å |
| 81 | I | 85.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 175 | -71 | 166.8 | 0 | 0 | 0 | 110.6 | M77 G78 Y83 L84 L85 C116 L117 F130 | M77-I81 VanDerWaalsContact O-CG1 3.3Å; M77-I81 WeakPolarHBondContact O-CG1 3.22Å; M77-I81 PolarHBondContact O-N 3.11Å; G78-I81 WeakPolarHBondContact O-CB 3.47Å; G78-I81 PolarHBondContact O-N 2.94Å; I81-Y83 VanDerWaalsContact C-N 3.33Å; I81-Y83 PolarHBondContact O-N 3.39Å; I81-L84 PolarHBondContact O-N 3.46Å; I81-L85 HydrophobicContact CG2-CD1 3.81Å; I81-L85 HydrophobicContact CG2-CG 4.3Å; I81-L85 WeakPolarHBondContact O-CB 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.41Å; I81-L85 PolarHBondContact O-N 2.93Å; I81-C116 HydrophobicContact CD1-CB 3.84Å; I81-C116 HydrophobicContact CG1-CB 3.78Å; I81-L117 HydrophobicContact CD1-CD2 4.47Å; I81-F130 HydrophobicContact CG2-CE2 3.9Å; I81-F130 HydrophobicContact CG2-CZ 3.77Å |
| 82 | E | 86.3 | Confident | 81.8 | Confident | 97 Ų | 97 | 41 Ų | 41 | 45% | 0.453 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58 | -44.4 | 175.7 | -77.5 | -178.4 | -177 | 0 | 0 | 112.2 | G78 Q79 L85 R86 L129 | G78-E82 PolarHBondContact O-N 3.45Å; Q79-E82 PolarHBondContact O-N 3.25Å; E82-L85 PolarHBondContact O-N 3.39Å; E82-R86 PolarHBondContact O-N 2.92Å; E82-L129 HydrophobicContact CG-CD1 3.51Å; E82-L129 HydrophobicContact CG-CD2 4.21Å |
| 83 | Y | 88.3 | Confident | 82.2 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 175.4 | 172.3 | -100.9 | 0 | 0 | 0 | 111.9 | L46 L50 Q58 L62 Q79 I80 I81 L85 R86 V87 | L46-Y83 HydrophobicContact CD2-CD1 3.89Å; L46-Y83 HydrophobicContact CD2-CD2 4.19Å; L46-Y83 HydrophobicContact CD2-CG 3.68Å; L50-Y83 HydrophobicContact CD2-CE2 3.91Å; L50-Y83 HydrophobicContact CG-CE2 4.5Å; Q58-Y83 PolarHBondContact OE1-OH 2.98Å; L62-Y83 HydrophobicContact CD1-CD1 3.77Å; L62-Y83 HydrophobicContact CD1-CE1 3.58Å; Q79-Y83 PolarHBondContact O-N 3.2Å; I80-Y83 PolarHBondContact O-N 2.93Å; I81-Y83 VanDerWaalsContact C-N 3.33Å; I81-Y83 PolarHBondContact O-N 3.39Å; Y83-L85 VanDerWaalsContact C-N 3.32Å; Y83-L85 PolarHBondContact O-N 2.95Å; Y83-R86 WeakPolarHBondContact O-CB 3.38Å; Y83-R86 PolarHBondContact O-N 3.36Å; Y83-V87 HydrophobicContact CD1-CG2 4.36Å; Y83-V87 HydrophobicContact CD2-CG2 4.39Å; Y83-V87 HydrophobicContact CE1-CG2 3.88Å; Y83-V87 HydrophobicContact CE2-CG2 3.91Å; Y83-V87 WeakPolarHBondContact O-CG2 3.46Å; Y83-V87 PolarHBondContact O-N 3.47Å |
| 84 | L | 90 | Very high | 82 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | 178.7 | -69.9 | 172.6 | 0 | 0 | 0 | 112.2 | L59 L62 I80 I81 V87 F88 L112 M113 | L59-L84 HydrophobicContact CD2-CD2 3.41Å; L59-L84 VanDerWaalsContact CD2-CD2 3.41Å; L62-L84 HydrophobicContact CD1-CD2 4.15Å; I80-L84 HydrophobicContact CG2-CD1 3.87Å; I80-L84 HydrophobicContact CG2-CG 4.23Å; I80-L84 WeakPolarHBondContact O-CB 3.46Å; I80-L84 VanDerWaalsContact O-CG 3.25Å; I80-L84 WeakPolarHBondContact O-CG 3.22Å; I80-L84 PolarHBondContact O-N 3.26Å; I81-L84 PolarHBondContact O-N 3.46Å; L84-V87 PolarHBondContact O-N 2.96Å; L84-F88 VanDerWaalsContact O-CB 3.27Å; L84-F88 WeakPolarHBondContact O-CB 3.35Å; L84-F88 PolarHBondContact O-N 3.25Å; L84-L112 HydrophobicContact CD1-CB 3.66Å; L84-L112 HydrophobicContact CD2-CB 4.33Å; L84-L112 HydrophobicContact CD2-CD1 4.09Å; L84-M113 HydrophobicContact CB-CG 3.88Å; L84-M113 HydrophobicContact CB-SD 4.26Å; L84-M113 HydrophobicContact CD1-CG 3.81Å; L84-M113 HydrophobicContact CG-CG 4.5Å |
| 85 | L | 87.7 | Confident | 81.7 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.1 | -37.4 | 175.1 | -77.8 | 171.8 | 0 | 0 | 0 | 112.1 | I81 E82 Y83 F88 K89 M113 L129 F130 A133 | I81-L85 HydrophobicContact CG2-CD1 3.81Å; I81-L85 HydrophobicContact CG2-CG 4.3Å; I81-L85 WeakPolarHBondContact O-CB 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.41Å; I81-L85 PolarHBondContact O-N 2.93Å; E82-L85 PolarHBondContact O-N 3.39Å; Y83-L85 VanDerWaalsContact C-N 3.32Å; Y83-L85 PolarHBondContact O-N 2.95Å; L85-F88 WeakPolarHBondContact O-CB 3.45Å; L85-F88 PolarHBondContact O-N 3.33Å; L85-K89 WeakPolarHBondContact O-CG 3.45Å; L85-K89 PolarHBondContact O-N 2.97Å; L85-M113 HydrophobicContact CD2-SD 3.9Å; L85-M113 HydrophobicContact CG-SD 4.15Å; L85-L129 HydrophobicContact CD1-CB 3.62Å; L85-F130 HydrophobicContact CD1-CD1 4.47Å; L85-F130 HydrophobicContact CD2-CD1 4.03Å; L85-F130 HydrophobicContact CD2-CE1 4.11Å; L85-A133 HydrophobicContact CD2-CB 3.89Å |
| 86 | R | 87.1 | Confident | 80.9 | Confident | 156 Ų | 156 | 44.9 Ų | 44.9 | 59% | 0.589 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.6 | -51.4 | 171.7 | -173.3 | 179.9 | -64 | 158 | 3.3 | 110.6 | E82 Y83 F88 K89 D90 | E82-R86 PolarHBondContact O-N 2.92Å; Y83-R86 WeakPolarHBondContact O-CB 3.38Å; Y83-R86 PolarHBondContact O-N 3.36Å; R86-F88 VanDerWaalsContact C-N 3.26Å; R86-F88 PolarHBondContact O-N 3.31Å; R86-K89 PolarHBondContact O-N 3.21Å; R86-D90 PolarHBondContact O-N 3.4Å |
| 87 | V | 88.6 | Confident | 79.8 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.3 | -43.2 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | T55 Y83 L84 T91 V105 | T55-V87 HydrophobicContact CG2-CG1 3.37Å; T55-V87 HydrophobicContact CG2-CG2 4.5Å; Y83-V87 HydrophobicContact CD1-CG2 4.36Å; Y83-V87 HydrophobicContact CD2-CG2 4.39Å; Y83-V87 HydrophobicContact CE1-CG2 3.88Å; Y83-V87 HydrophobicContact CE2-CG2 3.91Å; Y83-V87 WeakPolarHBondContact O-CG2 3.46Å; Y83-V87 PolarHBondContact O-N 3.47Å; L84-V87 PolarHBondContact O-N 2.96Å; V87-T91 VanDerWaalsContact O-CB 3.26Å; V87-T91 WeakPolarHBondContact O-CB 3.45Å; V87-T91 PolarHBondContact O-N 2.85Å; V87-T91 PolarHBondContact O-OG1 3.34Å; V87-V105 HydrophobicContact CG1-CG1 4.35Å |
| 88 | F | 88.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -52.2 | 176.5 | 172.8 | -112.7 | 0 | 0 | 0 | 112.3 | L84 L85 R86 D90 T91 T92 L106 A133 Q136 I137 I140 Y153 | L84-F88 VanDerWaalsContact O-CB 3.27Å; L84-F88 WeakPolarHBondContact O-CB 3.35Å; L84-F88 PolarHBondContact O-N 3.25Å; L85-F88 WeakPolarHBondContact O-CB 3.45Å; L85-F88 PolarHBondContact O-N 3.33Å; R86-F88 VanDerWaalsContact C-N 3.26Å; R86-F88 PolarHBondContact O-N 3.31Å; F88-D90 PolarHBondContact O-N 3.48Å; F88-T91 PolarHBondContact O-N 3.02Å; F88-T92 HydrophobicContact CD2-CG2 3.87Å; F88-T92 HydrophobicContact CE1-CG2 4.33Å; F88-T92 HydrophobicContact CE2-CG2 3.45Å; F88-T92 VanDerWaalsContact CE2-CG2 3.45Å; F88-T92 HydrophobicContact CG-CG2 4.49Å; F88-T92 HydrophobicContact CZ-CG2 3.73Å; F88-T92 WeakPolarHBondContact O-CG2 3.36Å; F88-T92 PolarHBondContact O-N 2.96Å; F88-T92 PolarHBondContact O-OG1 2.74Å; F88-L106 HydrophobicContact CD2-CD2 3.63Å; F88-L106 HydrophobicContact CE2-CD2 3.91Å; F88-A133 HydrophobicContact CD1-CB 4.16Å; F88-A133 HydrophobicContact CE1-CB 4.01Å; F88-Q136 HydrophobicContact CE1-CB 3.75Å; F88-Q136 VanDerWaalsContact CE1-OE1 3.25Å; F88-Q136 HydrophobicContact CZ-CB 3.79Å; F88-I137 HydrophobicContact CE1-CG1 4.19Å; F88-I137 HydrophobicContact CZ-CG1 4.08Å; F88-I140 HydrophobicContact CE2-CD1 3.47Å; F88-I140 VanDerWaalsContact CE2-CD1 3.47Å; F88-I140 HydrophobicContact CZ-CD1 3.72Å; F88-Y153 HydrophobicContact CD2-CE1 4.12Å; F88-Y153 AromaticContact CD2-CZ 3.83Å; F88-Y153 WeakPolarHBondContact CD2-OH 3.27Å; F88-Y153 AromaticContact CE2-CE1 3.56Å; F88-Y153 HydrophobicContact CE2-CE1 3.56Å; F88-Y153 AromaticContact CE2-CZ 3.46Å; F88-Y153 VanDerWaalsContact CE2-CZ 3.46Å; F88-Y153 WeakPolarHBondContact CE2-OH 3.4Å; F88-Y153 AromaticContact CZ-CE1 3.97Å; F88-Y153 HydrophobicContact CZ-CE1 3.97Å |
| 89 | K | 85.5 | Confident | 76.6 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.7 | -52.4 | 178.8 | -74.5 | 178.3 | -177.8 | 180 | 0 | 110.4 | L85 R86 T91 T92 E93 E132 | L85-K89 WeakPolarHBondContact O-CG 3.45Å; L85-K89 PolarHBondContact O-N 2.97Å; R86-K89 PolarHBondContact O-N 3.21Å; K89-T91 VanDerWaalsContact C-N 3.32Å; K89-T91 PolarHBondContact O-N 2.97Å; K89-T92 PolarHBondContact O-N 2.83Å; K89-T92 VanDerWaalsContact O-N 3.13Å; K89-T92 PolarHBondContact O-OG1 3.41Å; K89-E93 PolarHBondContact O-N 2.98Å; K89-E132 IonicContact NZ-OE2 3.82Å; K89-E132 PolarHBondContact NZ-OE2 3.05Å |
| 90 | D | 83.8 | Confident | 74.9 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -55.7 | -47.1 | 178.5 | -61.6 | -12.1 | 0 | 0 | 0 | 111.1 | R86 F88 T92 E93 D94 | R86-D90 PolarHBondContact O-N 3.4Å; F88-D90 PolarHBondContact O-N 3.48Å; D90-T92 PolarHBondContact O-N 3Å; D90-E93 PolarHBondContact O-N 3.22Å; D90-D94 WeakPolarHBondContact O-CB 3.28Å; D90-D94 PolarHBondContact O-N 3.33Å |
| 91 | T | 82.1 | Confident | 73.6 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 7% | 0.067 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.6 | -36.8 | -178.9 | -49.9 | 0 | 0 | 0 | 0 | 112.1 | V87 F88 K89 S95 Y102 V105 L106 | V87-T91 VanDerWaalsContact O-CB 3.26Å; V87-T91 WeakPolarHBondContact O-CB 3.45Å; V87-T91 PolarHBondContact O-N 2.85Å; V87-T91 PolarHBondContact O-OG1 3.34Å; F88-T91 PolarHBondContact O-N 3.02Å; K89-T91 VanDerWaalsContact C-N 3.32Å; K89-T91 PolarHBondContact O-N 2.97Å; T91-S95 WeakPolarHBondContact O-CB 3.4Å; T91-S95 PolarHBondContact O-N 3.18Å; T91-Y102 HydrophobicContact CG2-CD2 4.03Å; T91-Y102 HydrophobicContact CG2-CG 3.73Å; T91-V105 HydrophobicContact CG2-CB 4.48Å; T91-V105 HydrophobicContact CG2-CG1 4.29Å; T91-L106 HydrophobicContact CG2-CD2 3.81Å; T91-L106 HydrophobicContact CG2-CG 4.07Å |
| 92 | T | 76.6 | Confident | 72.8 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 6% | 0.055 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.1 | -36.6 | 177.1 | 58 | 0 | 0 | 0 | 0 | 112.5 | F88 K89 D90 S95 R96 L106 I140 | F88-T92 HydrophobicContact CD2-CG2 3.87Å; F88-T92 HydrophobicContact CE1-CG2 4.33Å; F88-T92 HydrophobicContact CE2-CG2 3.45Å; F88-T92 VanDerWaalsContact CE2-CG2 3.45Å; F88-T92 HydrophobicContact CG-CG2 4.49Å; F88-T92 HydrophobicContact CZ-CG2 3.73Å; F88-T92 WeakPolarHBondContact O-CG2 3.36Å; F88-T92 PolarHBondContact O-N 2.96Å; F88-T92 PolarHBondContact O-OG1 2.74Å; K89-T92 PolarHBondContact O-N 2.83Å; K89-T92 VanDerWaalsContact O-N 3.13Å; K89-T92 PolarHBondContact O-OG1 3.41Å; D90-T92 PolarHBondContact O-N 3Å; T92-S95 PolarHBondContact O-N 3.31Å; T92-S95 PolarHBondContact O-OG 2.94Å; T92-R96 PolarHBondContact O-N 3.23Å; T92-L106 HydrophobicContact CG2-CD2 4Å; T92-I140 HydrophobicContact CG2-CD1 4.35Å |
| 93 | E | 76.1 | Confident | 72.1 | Confident | 117 Ų | 117 | 67.1 Ų | 67.1 | 55% | 0.547 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 173.5 | -72.9 | -176 | 177.7 | 0 | 0 | 110.9 | K89 D90 S95 R96 V97 | K89-E93 PolarHBondContact O-N 2.98Å; D90-E93 PolarHBondContact O-N 3.22Å; E93-S95 VanDerWaalsContact C-N 3.28Å; E93-S95 PolarHBondContact O-N 3.13Å; E93-R96 WeakPolarHBondContact O-CB 3.42Å; E93-R96 PolarHBondContact O-N 3.41Å; E93-V97 WeakPolarHBondContact O-CG2 3.48Å; E93-V97 PolarHBondContact O-N 3.44Å |
| 94 | D | 67.2 | Low | 71.5 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 175.6 | -80.3 | -13.4 | 0 | 0 | 0 | 112.3 | D90 R96 V97 E98 Y102 | D90-D94 WeakPolarHBondContact O-CB 3.28Å; D90-D94 PolarHBondContact O-N 3.33Å; D94-R96 VanDerWaalsContact C-N 3.26Å; D94-R96 PolarHBondContact O-N 3.01Å; D94-V97 PolarHBondContact O-N 2.75Å; D94-E98 PolarHBondContact O-N 3.33Å; D94-Y102 HydrophobicContact CB-CE2 4.05Å |
| 95 | S | 63.1 | Low | 71.2 | Confident | 41 Ų | 41 | 70 Ų | 70 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63 | -30.9 | 178.1 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | T91 T92 E93 | T91-S95 WeakPolarHBondContact O-CB 3.4Å; T91-S95 PolarHBondContact O-N 3.18Å; T92-S95 PolarHBondContact O-N 3.31Å; T92-S95 PolarHBondContact O-OG 2.94Å; E93-S95 VanDerWaalsContact C-N 3.28Å; E93-S95 PolarHBondContact O-N 3.13Å |
| 96 | R | 59.7 | Low | 71.1 | Confident | 187 Ų | 187 | 70 Ų | 70 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -75.9 | -30.4 | 176.1 | -70.6 | -180 | -180 | -174.1 | 1.2 | 112.5 | T92 E93 D94 | T92-R96 PolarHBondContact O-N 3.23Å; E93-R96 WeakPolarHBondContact O-CB 3.42Å; E93-R96 PolarHBondContact O-N 3.41Å; D94-R96 VanDerWaalsContact C-N 3.26Å; D94-R96 PolarHBondContact O-N 3.01Å |
| 97 | V | 53.7 | Low | 71 | Confident | 123 Ų | 123 | 62.7 Ų | 62.7 | 75% | 0.745 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -87.7 | -44.5 | -175.3 | 179.5 | 0 | 0 | 0 | 0 | 112 | E93 D94 | E93-V97 WeakPolarHBondContact O-CG2 3.48Å; E93-V97 PolarHBondContact O-N 3.44Å; D94-V97 PolarHBondContact O-N 2.75Å |
| 98 | E | 45.1 | Very low | 71 | Confident | 105 Ų | 105 | 64.1 Ų | 64.1 | 49% | 0.491 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -100.7 | -7.7 | -170.3 | -66.9 | -159.4 | 149.5 | 0 | 0 | 115 | D94 K100 | D94-E98 PolarHBondContact O-N 3.33Å; E98-K100 HydrophobicContact CB-CD 4.48Å; E98-K100 HydrophobicContact CB-CG 4.3Å; E98-K100 PolarHBondContact O-N 3.45Å; E98-K100 VanDerWaalsContact O-N 3.12Å; E98-K100 IonicContact OE1-NZ 2.76Å; E98-K100 WeakPolarHBondContact OE2-CD 3.46Å; E98-K100 WeakPolarHBondContact OE2-CE 3.39Å; E98-K100 IonicContact OE2-NZ 3.59Å; E98-K100 PolarHBondContact OE2-NZ 3.05Å |
| 99 | G | 45.8 | Very low | 71.1 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 64% | 0.639 | 34% | 0.336 | S | S | * | . | trans | 62.6 | 14.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 100 | K | 46.4 | Very low | 71.3 | Confident | 112 Ų | 112 | 61.4 Ų | 61.4 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | trans | -88 | 126.8 | 174.7 | -69.4 | -179.6 | -169.7 | 150.3 | 0 | 110 | E98 Y102 | E98-K100 HydrophobicContact CB-CD 4.48Å; E98-K100 HydrophobicContact CB-CG 4.3Å; E98-K100 PolarHBondContact O-N 3.45Å; E98-K100 VanDerWaalsContact O-N 3.12Å; E98-K100 IonicContact OE1-NZ 2.76Å; E98-K100 WeakPolarHBondContact OE2-CD 3.46Å; E98-K100 WeakPolarHBondContact OE2-CE 3.39Å; E98-K100 IonicContact OE2-NZ 3.59Å; E98-K100 PolarHBondContact OE2-NZ 3.05Å; K100-Y102 HydrophobicContact CB-CD2 4.45Å; K100-Y102 HydrophobicContact CB-CE2 3.93Å; K100-Y102 WeakPolarHBondContact O-CD2 3.19Å; K100-Y102 PolarHBondContact O-N 3.48Å | ||
| 101 | H | 58.8 | Low | 71.5 | Confident | 140 Ų | 140 | 62.2 Ų | 62.2 | 65% | 0.648 | 32% | 0.323 | S | S | * | . | trans | -80.1 | 102.6 | 176.3 | -75.6 | -79.9 | 0 | 0 | 0 | 111 | D103 | H101-D103 IonicContact ND1-OD2 3.91Å; H101-D103 PolarHBondContact O-N 3.48Å | ||
| 102 | Y | 67.2 | Low | 71.9 | Confident | 69 Ų | 69 | 62 Ų | 62 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | trans | -86.9 | 29 | 174.8 | -67.7 | -76.1 | 0 | 0 | 0 | 113.2 | T91 D94 K100 S104 V105 L106 | T91-Y102 HydrophobicContact CG2-CD2 4.03Å; T91-Y102 HydrophobicContact CG2-CG 3.73Å; D94-Y102 HydrophobicContact CB-CE2 4.05Å; K100-Y102 HydrophobicContact CB-CD2 4.45Å; K100-Y102 HydrophobicContact CB-CE2 3.93Å; K100-Y102 WeakPolarHBondContact O-CD2 3.19Å; K100-Y102 PolarHBondContact O-N 3.48Å; Y102-S104 PolarHBondContact O-N 3.02Å; Y102-V105 WeakPolarHBondContact O-CB 3.29Å; Y102-V105 PolarHBondContact O-N 3.47Å; Y102-L106 PolarHBondContact O-N 2.75Å; Y102-L106 VanDerWaalsContact O-N 3.08Å | ||
| 103 | D | 71.6 | Confident | 72.5 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 13% | 0.128 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.7 | -32.6 | -169.1 | -62.1 | -33.8 | 0 | 0 | 0 | 114.3 | H101 S107 N146 C149 | H101-D103 IonicContact ND1-OD2 3.91Å; H101-D103 PolarHBondContact O-N 3.48Å; D103-S107 VanDerWaalsContact O-CB 3.29Å; D103-S107 WeakPolarHBondContact O-CB 3.48Å; D103-S107 PolarHBondContact O-N 3.5Å; D103-N146 HydrophobicContact CB-CB 3.79Å; D103-N146 WeakPolarHBondContact CB-ND2 3.44Å; D103-N146 VanDerWaalsContact OD2-CB 3.3Å; D103-N146 WeakPolarHBondContact OD2-CB 3.34Å; D103-N146 PolarHBondContact OD2-ND2 2.87Å; D103-C149 HydrophobicContact CB-CB 4.39Å |
| 104 | S | 76.1 | Confident | 73 | Confident | 63 Ų | 63 | 57 Ų | 57 | 44% | 0.441 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.4 | -35.7 | 177.4 | 70.2 | 0 | 0 | 0 | 0 | 113 | Y102 S108 | Y102-S104 PolarHBondContact O-N 3.02Å; S104-S108 WeakPolarHBondContact O-CB 3.15Å; S104-S108 PolarHBondContact O-N 3.18Å; S104-S108 VanDerWaalsContact O-N 3.11Å; S104-S108 PolarHBondContact O-OG 3.34Å |
| 105 | V | 84.2 | Confident | 73.9 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.3 | -48.8 | 176 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | T55 L59 V87 T91 Y102 S107 S108 C109 | T55-V105 HydrophobicContact CG2-CG1 3.74Å; L59-V105 HydrophobicContact CD1-CB 4.39Å; L59-V105 HydrophobicContact CD1-CG1 3.64Å; V87-V105 HydrophobicContact CG1-CG1 4.35Å; T91-V105 HydrophobicContact CG2-CB 4.48Å; T91-V105 HydrophobicContact CG2-CG1 4.29Å; Y102-V105 WeakPolarHBondContact O-CB 3.29Å; Y102-V105 PolarHBondContact O-N 3.47Å; V105-S107 PolarHBondContact O-N 2.8Å; V105-S108 PolarHBondContact O-N 2.9Å; V105-S108 VanDerWaalsContact O-N 3.17Å; V105-C109 PolarHBondContact O-N 3.14Å; V105-C109 PolarHBondContact O-SG 3.11Å; V105-C109 VanDerWaalsContact O-SG 3.37Å |
| 106 | L | 85.9 | Confident | 74.8 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.1 | -48.5 | 176.8 | -64.7 | 175.7 | 0 | 0 | 0 | 112 | F88 T91 T92 Y102 S108 C109 A110 Y153 | F88-L106 HydrophobicContact CD2-CD2 3.63Å; F88-L106 HydrophobicContact CE2-CD2 3.91Å; T91-L106 HydrophobicContact CG2-CD2 3.81Å; T91-L106 HydrophobicContact CG2-CG 4.07Å; T92-L106 HydrophobicContact CG2-CD2 4Å; Y102-L106 PolarHBondContact O-N 2.75Å; Y102-L106 VanDerWaalsContact O-N 3.08Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 3.22Å; L106-C109 WeakPolarHBondContact O-CB 3.43Å; L106-C109 PolarHBondContact O-N 2.69Å; L106-A110 PolarHBondContact O-N 3.09Å; L106-Y153 HydrophobicContact CB-CE2 3.93Å; L106-Y153 WeakPolarHBondContact O-CE2 3.32Å; L106-Y153 PolarHBondContact O-OH 3.45Å; L106-Y153 VanDerWaalsContact O-OH 3.11Å |
| 107 | S | 85.2 | Confident | 75.8 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | D103 V105 A110 K111 S152 | D103-S107 VanDerWaalsContact O-CB 3.29Å; D103-S107 WeakPolarHBondContact O-CB 3.48Å; D103-S107 PolarHBondContact O-N 3.5Å; V105-S107 PolarHBondContact O-N 2.8Å; S107-A110 PolarHBondContact O-N 3.43Å; S107-K111 VanDerWaalsContact O-CG 3.32Å; S107-K111 WeakPolarHBondContact O-CG 3.44Å; S107-K111 PolarHBondContact O-N 3.45Å; S107-K111 WeakPolarHBondContact OG-CE 3.1Å; S107-K111 PolarHBondContact OG-NZ 3.46Å; S107-S152 PolarHBondContact OG-OG 3.08Å; S107-S152 VanDerWaalsContact OG-OG 3.06Å |
| 108 | S | 87.3 | Confident | 76.9 | Confident | 41 Ų | 41 | 44.5 Ų | 44.5 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 177.9 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | S104 V105 L106 A110 K111 L112 | S104-S108 WeakPolarHBondContact O-CB 3.15Å; S104-S108 PolarHBondContact O-N 3.18Å; S104-S108 VanDerWaalsContact O-N 3.11Å; S104-S108 PolarHBondContact O-OG 3.34Å; V105-S108 PolarHBondContact O-N 2.9Å; V105-S108 VanDerWaalsContact O-N 3.17Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 3.22Å; S108-A110 PolarHBondContact O-N 3.2Å; S108-K111 PolarHBondContact O-N 3.24Å; S108-L112 WeakPolarHBondContact O-CB 3.32Å; S108-L112 VanDerWaalsContact O-CG 3.28Å; S108-L112 WeakPolarHBondContact O-CG 3.22Å; S108-L112 PolarHBondContact O-N 2.93Å |
| 109 | C | 91.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 172.9 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | L59 V105 L106 K111 L112 M113 | L59-C109 VanDerWaalsContact CD1-SG 3.52Å; V105-C109 PolarHBondContact O-N 3.14Å; V105-C109 PolarHBondContact O-SG 3.11Å; V105-C109 VanDerWaalsContact O-SG 3.37Å; L106-C109 WeakPolarHBondContact O-CB 3.43Å; L106-C109 PolarHBondContact O-N 2.69Å; C109-K111 PolarHBondContact O-N 3.4Å; C109-L112 PolarHBondContact O-N 3.21Å; C109-M113 HydrophobicContact CB-CE 3.96Å; C109-M113 WeakPolarHBondContact O-CB 3.41Å; C109-M113 WeakPolarHBondContact O-CE 3.43Å; C109-M113 VanDerWaalsContact O-CG 3.29Å; C109-M113 WeakPolarHBondContact O-CG 3.22Å; C109-M113 PolarHBondContact O-N 3.47Å |
| 110 | A | 90 | Very high | 79.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L106 S107 S108 L112 M113 V114 Y153 L156 | L106-A110 PolarHBondContact O-N 3.09Å; S107-A110 PolarHBondContact O-N 3.43Å; S108-A110 PolarHBondContact O-N 3.2Å; A110-L112 PolarHBondContact O-N 3.38Å; A110-M113 PolarHBondContact O-N 3.34Å; A110-V114 VanDerWaalsContact O-CG2 3.27Å; A110-V114 WeakPolarHBondContact O-CG2 3.49Å; A110-V114 PolarHBondContact O-N 2.81Å; A110-Y153 HydrophobicContact CB-CD1 4.16Å; A110-Y153 HydrophobicContact CB-CD2 3.86Å; A110-Y153 HydrophobicContact CB-CE1 4.04Å; A110-Y153 HydrophobicContact CB-CE2 3.69Å; A110-Y153 HydrophobicContact CB-CG 4.08Å; A110-L156 HydrophobicContact CB-CD2 4.42Å |
| 111 | K | 89 | Confident | 79.8 | Confident | 99 Ų | 99 | 44.9 Ų | 44.9 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.8 | -44 | 177 | -72.8 | 168 | -176.7 | 161.3 | 0 | 111.9 | S107 S108 C109 V114 Y115 E148 S152 | S107-K111 VanDerWaalsContact O-CG 3.32Å; S107-K111 WeakPolarHBondContact O-CG 3.44Å; S107-K111 PolarHBondContact O-N 3.45Å; S107-K111 WeakPolarHBondContact OG-CE 3.1Å; S107-K111 PolarHBondContact OG-NZ 3.46Å; S108-K111 PolarHBondContact O-N 3.24Å; C109-K111 PolarHBondContact O-N 3.4Å; K111-V114 PolarHBondContact O-N 2.8Å; K111-Y115 PolarHBondContact O-N 3.38Å; K111-E148 IonicContact NZ-OE2 3.51Å; K111-E148 PolarHBondContact NZ-OE2 3.36Å; K111-S152 WeakPolarHBondContact CE-OG 3.43Å |
| 112 | L | 89.1 | Confident | 79.5 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.7 | -39.8 | 178.1 | -66.7 | 167 | 0 | 0 | 0 | 111.8 | L59 L62 D63 L66 L84 S108 C109 A110 Y115 C116 | L59-L112 HydrophobicContact CB-CD1 4.19Å; L59-L112 HydrophobicContact CD2-CD1 4.01Å; L62-L112 HydrophobicContact CB-CD1 4.34Å; D63-L112 HydrophobicContact CB-CD2 3.76Å; L66-L112 HydrophobicContact CD1-CD2 3.57Å; L84-L112 HydrophobicContact CD1-CB 3.66Å; L84-L112 HydrophobicContact CD2-CB 4.33Å; L84-L112 HydrophobicContact CD2-CD1 4.09Å; S108-L112 WeakPolarHBondContact O-CB 3.32Å; S108-L112 VanDerWaalsContact O-CG 3.28Å; S108-L112 WeakPolarHBondContact O-CG 3.22Å; S108-L112 PolarHBondContact O-N 2.93Å; C109-L112 PolarHBondContact O-N 3.21Å; A110-L112 PolarHBondContact O-N 3.38Å; L112-Y115 WeakPolarHBondContact O-CB 3.47Å; L112-Y115 PolarHBondContact O-N 3.41Å; L112-C116 PolarHBondContact O-N 3.45Å; L112-C116 PolarHBondContact O-SG 3.45Å |
| 113 | M | 89.6 | Confident | 78.9 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 174.6 | -74.1 | -174.8 | -77.1 | 0 | 0 | 111.7 | L84 L85 C109 A110 Y115 C116 L117 F130 L156 | L84-M113 HydrophobicContact CB-CG 3.88Å; L84-M113 HydrophobicContact CB-SD 4.26Å; L84-M113 HydrophobicContact CD1-CG 3.81Å; L84-M113 HydrophobicContact CG-CG 4.5Å; L85-M113 HydrophobicContact CD2-SD 3.9Å; L85-M113 HydrophobicContact CG-SD 4.15Å; C109-M113 HydrophobicContact CB-CE 3.96Å; C109-M113 WeakPolarHBondContact O-CB 3.41Å; C109-M113 WeakPolarHBondContact O-CE 3.43Å; C109-M113 VanDerWaalsContact O-CG 3.29Å; C109-M113 WeakPolarHBondContact O-CG 3.22Å; C109-M113 PolarHBondContact O-N 3.47Å; A110-M113 PolarHBondContact O-N 3.34Å; M113-Y115 VanDerWaalsContact C-N 3.32Å; M113-Y115 PolarHBondContact O-N 3.25Å; M113-C116 PolarHBondContact O-N 2.95Å; M113-L117 WeakPolarHBondContact O-CB 3.3Å; M113-L117 WeakPolarHBondContact O-CG 3.44Å; M113-L117 PolarHBondContact O-N 2.86Å; M113-F130 HydrophobicContact CB-CE1 4.34Å; M113-F130 HydrophobicContact CB-CZ 4.27Å; M113-F130 HydrophobicContact CG-CE1 4.35Å; M113-F130 HydrophobicContact CG-CZ 4.42Å; M113-F130 HydrophobicContact SD-CE1 3.66Å; M113-F130 HydrophobicContact SD-CZ 4.26Å; M113-L156 HydrophobicContact CB-CD1 3.84Å; M113-L156 HydrophobicContact CB-CD2 4.37Å; M113-L156 HydrophobicContact CE-CD2 3.84Å; M113-L156 HydrophobicContact SD-CD2 4.32Å |
| 114 | V | 87.5 | Confident | 78.2 | Confident | 22 Ų | 22 | 42 Ų | 42 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 173.7 | 170.8 | 0 | 0 | 0 | 0 | 111 | A110 K111 L117 T118 I155 L156 | A110-V114 VanDerWaalsContact O-CG2 3.27Å; A110-V114 WeakPolarHBondContact O-CG2 3.49Å; A110-V114 PolarHBondContact O-N 2.81Å; K111-V114 PolarHBondContact O-N 2.8Å; V114-L117 PolarHBondContact O-N 2.96Å; V114-T118 HydrophobicContact CG1-CG2 4.26Å; V114-T118 WeakPolarHBondContact O-CB 3.45Å; V114-T118 WeakPolarHBondContact O-CG2 3.33Å; V114-T118 PolarHBondContact O-N 2.92Å; V114-T118 PolarHBondContact O-OG1 2.93Å; V114-I155 HydrophobicContact CB-CG2 4.49Å; V114-I155 HydrophobicContact CG1-CG2 3.78Å; V114-I155 HydrophobicContact CG2-CB 4.45Å; V114-I155 HydrophobicContact CG2-CG2 3.85Å; V114-L156 HydrophobicContact CG2-CB 3.78Å; V114-L156 HydrophobicContact CG2-CD1 3.95Å; V114-L156 HydrophobicContact CG2-CG 4.48Å |
| 115 | Y | 85 | Confident | 77.7 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.3 | -50 | 176 | -179 | -90.2 | 0 | 0 | 0 | 111.4 | L66 K111 L112 M113 L117 T118 H119 | L66-Y115 HydrophobicContact CB-CD1 4.23Å; L66-Y115 HydrophobicContact CB-CE1 3.87Å; L66-Y115 HydrophobicContact CD1-CD1 4.18Å; L66-Y115 HydrophobicContact CD2-CD1 4.12Å; L66-Y115 HydrophobicContact CD2-CE1 3.86Å; L66-Y115 HydrophobicContact CG-CD1 4.42Å; L66-Y115 HydrophobicContact CG-CE1 4.31Å; L66-Y115 PolarHBondContact O-OH 3.06Å; K111-Y115 PolarHBondContact O-N 3.38Å; L112-Y115 WeakPolarHBondContact O-CB 3.47Å; L112-Y115 PolarHBondContact O-N 3.41Å; M113-Y115 VanDerWaalsContact C-N 3.32Å; M113-Y115 PolarHBondContact O-N 3.25Å; Y115-L117 VanDerWaalsContact C-N 3.35Å; Y115-L117 PolarHBondContact O-N 3.12Å; Y115-T118 PolarHBondContact O-N 3.43Å; Y115-T118 PolarHBondContact O-OG1 2.82Å; Y115-H119 AromaticContact CD2-CE1 3.46Å; Y115-H119 VanDerWaalsContact CD2-CE1 3.46Å; Y115-H119 WeakPolarHBondContact CD2-CE1 3.34Å; Y115-H119 AromaticContact CD2-ND1 3.64Å; Y115-H119 AromaticContact CE2-CE1 3.34Å; Y115-H119 WeakPolarHBondContact CE2-CE1 3.47Å; Y115-H119 AromaticContact CE2-ND1 3.69Å; Y115-H119 AromaticContact CE2-NE2 3.57Å; Y115-H119 AromaticContact CG-ND1 3.97Å; Y115-H119 PolarHBondContact O-N 2.79Å; Y115-H119 VanDerWaalsContact O-N 3.1Å; Y115-H119 PolarHBondContact O-ND1 3.01Å |
| 116 | C | 82.4 | Confident | 77 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 178.4 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | M77 I81 L112 M113 T118 S120 | M77-C116 HydrophobicContact SD-CB 4.37Å; I81-C116 HydrophobicContact CD1-CB 3.84Å; I81-C116 HydrophobicContact CG1-CB 3.78Å; L112-C116 PolarHBondContact O-N 3.45Å; L112-C116 PolarHBondContact O-SG 3.45Å; M113-C116 PolarHBondContact O-N 2.95Å; C116-T118 VanDerWaalsContact C-N 3.34Å; C116-T118 PolarHBondContact O-N 3.28Å; C116-S120 WeakPolarHBondContact O-CB 3.44Å; C116-S120 PolarHBondContact O-N 3.5Å; C116-S120 PolarHBondContact O-OG 3.3Å |
| 117 | L | 80.4 | Confident | 76.3 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -33.3 | 178.2 | -76.7 | -179.4 | 0 | 0 | 0 | 113.6 | I81 M113 V114 Y115 F130 L156 N159 L163 | I81-L117 HydrophobicContact CD1-CD2 4.47Å; M113-L117 WeakPolarHBondContact O-CB 3.3Å; M113-L117 WeakPolarHBondContact O-CG 3.44Å; M113-L117 PolarHBondContact O-N 2.86Å; V114-L117 PolarHBondContact O-N 2.96Å; Y115-L117 VanDerWaalsContact C-N 3.35Å; Y115-L117 PolarHBondContact O-N 3.12Å; L117-F130 HydrophobicContact CD1-CE2 3.89Å; L117-F130 HydrophobicContact CD1-CZ 3.9Å; L117-F130 HydrophobicContact CD2-CD2 4.47Å; L117-F130 HydrophobicContact CD2-CE2 3.64Å; L117-F130 HydrophobicContact CD2-CZ 4.28Å; L117-F130 HydrophobicContact CG-CE2 3.99Å; L117-F130 HydrophobicContact CG-CZ 4.12Å; L117-L156 HydrophobicContact CD1-CD1 3.71Å; L117-N159 HydrophobicContact CD1-CB 4.24Å; L117-L163 HydrophobicContact CD1-CD1 4.45Å; L117-L163 HydrophobicContact CD2-CD1 3.72Å |
| 118 | T | 76.3 | Confident | 75.9 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -85.4 | -22.8 | -176.7 | 48.9 | 0 | 0 | 0 | 0 | 113.5 | V114 Y115 C116 | V114-T118 HydrophobicContact CG1-CG2 4.26Å; V114-T118 WeakPolarHBondContact O-CB 3.45Å; V114-T118 WeakPolarHBondContact O-CG2 3.33Å; V114-T118 PolarHBondContact O-N 2.92Å; V114-T118 PolarHBondContact O-OG1 2.93Å; Y115-T118 PolarHBondContact O-N 3.43Å; Y115-T118 PolarHBondContact O-OG1 2.82Å; C116-T118 VanDerWaalsContact C-N 3.34Å; C116-T118 PolarHBondContact O-N 3.28Å |
| 119 | H | 75 | Confident | 75.4 | Confident | 109 Ų | 109 | 50.8 Ų | 50.8 | 51% | 0.505 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -103.5 | -10.5 | -177.6 | -66.4 | 72.5 | 0 | 0 | 0 | 113.9 | Y115 | Y115-H119 AromaticContact CD2-CE1 3.46Å; Y115-H119 VanDerWaalsContact CD2-CE1 3.46Å; Y115-H119 WeakPolarHBondContact CD2-CE1 3.34Å; Y115-H119 AromaticContact CD2-ND1 3.64Å; Y115-H119 AromaticContact CE2-CE1 3.34Å; Y115-H119 WeakPolarHBondContact CE2-CE1 3.47Å; Y115-H119 AromaticContact CE2-ND1 3.69Å; Y115-H119 AromaticContact CE2-NE2 3.57Å; Y115-H119 AromaticContact CG-ND1 3.97Å; Y115-H119 PolarHBondContact O-N 2.79Å; Y115-H119 VanDerWaalsContact O-N 3.1Å; Y115-H119 PolarHBondContact O-ND1 3.01Å |
| 120 | S | 64.2 | Low | 75.1 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -99 | 147.1 | 171.4 | 56.8 | 0 | 0 | 0 | 0 | 111 | M77 C116 A122 | M77-S120 VanDerWaalsContact CE-CB 3.48Å; C116-S120 WeakPolarHBondContact O-CB 3.44Å; C116-S120 PolarHBondContact O-N 3.5Å; C116-S120 PolarHBondContact O-OG 3.3Å; S120-A122 PolarHBondContact O-N 3.4Å |
| 121 | H | 59.9 | Low | 74.7 | Confident | 163 Ų | 163 | 54.2 Ų | 54.2 | 76% | 0.755 | 28% | 0.284 | S | S | * | . | trans | -66.6 | 112.9 | 150.4 | -67.8 | -68.8 | 0 | 0 | 0 | 104.9 | E74 P123 | E74-H121 WeakPolarHBondContact OE1-CB 3.28Å; H121-P123 VanDerWaalsContact O-N 3.14Å | ||
| 122 | A | 52.4 | Low | 74.4 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 35% | 0.347 | 29% | 0.291 | S | S | . | . | trans | -47.4 | 122.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S120 S124 L163 | S120-A122 PolarHBondContact O-N 3.4Å; A122-S124 PolarHBondContact O-N 3.14Å; A122-L163 HydrophobicContact CB-CD2 3.44Å; A122-L163 VanDerWaalsContact CB-CD2 3.44Å | ||
| 123 | P | 55.4 | Low | 74.2 | Confident | 22 Ų | 22 | 55 Ų | 55 | 14% | 0.143 | 29% | 0.289 | C | S | . | . | trans | -56 | 129.4 | 172.7 | -18 | 26.6 | 0 | 0 | 0 | 107.7 | H121 N125 S126 | H121-P123 VanDerWaalsContact O-N 3.14Å; P123-N125 PolarHBondContact O-N 2.98Å; P123-S126 WeakPolarHBondContact CB-OG 3.43Å; P123-S126 VanDerWaalsContact CD-OG 3.29Å; P123-S126 WeakPolarHBondContact CD-OG 3.4Å; P123-S126 WeakPolarHBondContact CG-OG 3.41Å; P123-S126 WeakPolarHBondContact O-CB 3.49Å; P123-S126 PolarHBondContact O-N 3.01Å; P123-S126 PolarHBondContact O-OG 2.87Å | ||
| 124 | S | 57.1 | Low | 74.1 | Confident | 109 Ų | 109 | 55.2 Ų | 55.2 | 76% | 0.762 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -24.9 | -178.9 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | A122 | A122-S124 PolarHBondContact O-N 3.14Š|
| 125 | N | 65.1 | Low | 74 | Confident | 108 Ų | 108 | 59.8 Ų | 59.8 | 58% | 0.578 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -17.5 | 178.5 | -69 | -5.7 | 0 | 0 | 0 | 114.7 | P123 Y127 I128 L129 | P123-N125 PolarHBondContact O-N 2.98Å; N125-Y127 VanDerWaalsContact C-N 3.31Å; N125-Y127 PolarHBondContact O-N 3.47Å; N125-I128 PolarHBondContact O-N 2.95Å; N125-L129 PolarHBondContact O-N 2.9Å |
| 126 | S | 68.4 | Low | 74 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.3 | -37.4 | -177 | -63 | 0 | 0 | 0 | 0 | 112.4 | P123 I128 L129 F130 | P123-S126 WeakPolarHBondContact CB-OG 3.43Å; P123-S126 VanDerWaalsContact CD-OG 3.29Å; P123-S126 WeakPolarHBondContact CD-OG 3.4Å; P123-S126 WeakPolarHBondContact CG-OG 3.41Å; P123-S126 WeakPolarHBondContact O-CB 3.49Å; P123-S126 PolarHBondContact O-N 3.01Å; P123-S126 PolarHBondContact O-OG 2.87Å; S126-I128 VanDerWaalsContact C-N 3.32Å; S126-I128 PolarHBondContact O-N 3.32Å; S126-L129 WeakPolarHBondContact O-CB 3.23Å; S126-L129 PolarHBondContact O-N 3.48Å; S126-F130 WeakPolarHBondContact O-CD2 3.33Å; S126-F130 PolarHBondContact O-N 3.48Å |
| 127 | Y | 72.5 | Confident | 74.3 | Confident | 67 Ų | 67 | 58 Ų | 58 | 26% | 0.263 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 177.7 | 179.7 | -105.5 | 0 | 0 | 0 | 111.8 | N125 L129 F130 M131 I160 L163 E164 | N125-Y127 VanDerWaalsContact C-N 3.31Å; N125-Y127 PolarHBondContact O-N 3.47Å; Y127-L129 VanDerWaalsContact C-N 3.32Å; Y127-L129 PolarHBondContact O-N 3.03Å; Y127-F130 PolarHBondContact O-N 3.41Å; Y127-M131 HydrophobicContact CD1-CG 4.18Å; Y127-M131 HydrophobicContact CE1-CG 3.75Å; Y127-M131 HydrophobicContact CE1-SD 4.35Å; Y127-M131 HydrophobicContact CE2-CG 4.11Å; Y127-M131 HydrophobicContact CE2-SD 4Å; Y127-M131 WeakPolarHBondContact O-CG 3.47Å; Y127-M131 PolarHBondContact O-N 3.46Å; Y127-I160 HydrophobicContact CE2-CG2 4.29Å; Y127-L163 HydrophobicContact CD2-CB 4.33Å; Y127-E164 HydrophobicContact CE2-CB 3.76Å; Y127-E164 HydrophobicContact CE2-CG 4.24Å; Y127-E164 VanDerWaalsContact OH-CG 3.28Å; Y127-E164 WeakPolarHBondContact OH-CG 3.3Å |
| 128 | I | 77 | Confident | 74.8 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 178.5 | -60.5 | 171.9 | 0 | 0 | 0 | 110.5 | N125 S126 F130 M131 E132 | N125-I128 PolarHBondContact O-N 2.95Å; S126-I128 VanDerWaalsContact C-N 3.32Å; S126-I128 PolarHBondContact O-N 3.32Å; I128-F130 PolarHBondContact O-N 3.16Å; I128-M131 PolarHBondContact O-N 3.02Å; I128-E132 PolarHBondContact O-N 3.27Å |
| 129 | L | 76.7 | Confident | 75.3 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 178.5 | -68.1 | 168.3 | 0 | 0 | 0 | 112.6 | E82 L85 N125 S126 Y127 M131 E132 | E82-L129 HydrophobicContact CG-CD1 3.51Å; E82-L129 HydrophobicContact CG-CD2 4.21Å; L85-L129 HydrophobicContact CD1-CB 3.62Å; N125-L129 PolarHBondContact O-N 2.9Å; S126-L129 WeakPolarHBondContact O-CB 3.23Å; S126-L129 PolarHBondContact O-N 3.48Å; Y127-L129 VanDerWaalsContact C-N 3.32Å; Y127-L129 PolarHBondContact O-N 3.03Å; L129-M131 VanDerWaalsContact C-N 3.35Å; L129-E132 PolarHBondContact O-N 2.98Å |
| 130 | F | 83.5 | Confident | 75.8 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.6 | -33.5 | 175.7 | -77.3 | -68 | 0 | 0 | 0 | 112.6 | I81 L85 M113 L117 S126 Y127 I128 E132 A133 I134 L156 I160 | I81-F130 HydrophobicContact CG2-CE2 3.9Å; I81-F130 HydrophobicContact CG2-CZ 3.77Å; L85-F130 HydrophobicContact CD1-CD1 4.47Å; L85-F130 HydrophobicContact CD2-CD1 4.03Å; L85-F130 HydrophobicContact CD2-CE1 4.11Å; M113-F130 HydrophobicContact CB-CE1 4.34Å; M113-F130 HydrophobicContact CB-CZ 4.27Å; M113-F130 HydrophobicContact CG-CE1 4.35Å; M113-F130 HydrophobicContact CG-CZ 4.42Å; M113-F130 HydrophobicContact SD-CE1 3.66Å; M113-F130 HydrophobicContact SD-CZ 4.26Å; L117-F130 HydrophobicContact CD1-CE2 3.89Å; L117-F130 HydrophobicContact CD1-CZ 3.9Å; L117-F130 HydrophobicContact CD2-CD2 4.47Å; L117-F130 HydrophobicContact CD2-CE2 3.64Å; L117-F130 HydrophobicContact CD2-CZ 4.28Å; L117-F130 HydrophobicContact CG-CE2 3.99Å; L117-F130 HydrophobicContact CG-CZ 4.12Å; S126-F130 WeakPolarHBondContact O-CD2 3.33Å; S126-F130 PolarHBondContact O-N 3.48Å; Y127-F130 PolarHBondContact O-N 3.41Å; I128-F130 PolarHBondContact O-N 3.16Å; F130-E132 PolarHBondContact O-N 3.34Å; F130-A133 CarbonylContact O-C 3.5Å; F130-A133 PolarHBondContact O-N 2.86Å; F130-I134 PolarHBondContact O-N 3.33Å; F130-L156 HydrophobicContact CE1-CD1 4.02Å; F130-L156 HydrophobicContact CE1-CD2 4.42Å; F130-L156 HydrophobicContact CZ-CD1 4.35Å; F130-I160 HydrophobicContact CB-CD1 4.02Å; F130-I160 HydrophobicContact CB-CG1 4.25Å; F130-I160 HydrophobicContact CD1-CD1 3.83Å; F130-I160 HydrophobicContact CD1-CG1 4.32Å; F130-I160 HydrophobicContact CG-CD1 4.02Å; F130-I160 HydrophobicContact CG-CG1 4.14Å |
| 131 | M | 83.2 | Confident | 76.8 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 35% | 0.345 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -28.9 | 177.8 | -71.7 | -56.8 | -68.4 | 0 | 0 | 112.7 | Y127 I128 L129 A133 I134 | Y127-M131 HydrophobicContact CD1-CG 4.18Å; Y127-M131 HydrophobicContact CE1-CG 3.75Å; Y127-M131 HydrophobicContact CE1-SD 4.35Å; Y127-M131 HydrophobicContact CE2-CG 4.11Å; Y127-M131 HydrophobicContact CE2-SD 4Å; Y127-M131 WeakPolarHBondContact O-CG 3.47Å; Y127-M131 PolarHBondContact O-N 3.46Å; I128-M131 PolarHBondContact O-N 3.02Å; L129-M131 VanDerWaalsContact C-N 3.35Å; M131-A133 VanDerWaalsContact C-N 3.26Å; M131-A133 PolarHBondContact O-N 3.06Å; M131-I134 HydrophobicContact CE-CG2 4.38Å; M131-I134 WeakPolarHBondContact O-CG2 3.23Å; M131-I134 HydrophobicContact SD-CB 4.46Å; M131-I134 HydrophobicContact SD-CG1 4.39Å |
| 132 | E | 82 | Confident | 78 | Confident | 122 Ų | 122 | 47 Ų | 47 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.2 | -26.7 | 172.2 | -63.5 | -176.6 | 176.4 | 0 | 0 | 113.5 | K89 I128 L129 F130 | K89-E132 IonicContact NZ-OE2 3.82Å; K89-E132 PolarHBondContact NZ-OE2 3.05Å; I128-E132 PolarHBondContact O-N 3.27Å; L129-E132 PolarHBondContact O-N 2.98Å; F130-E132 PolarHBondContact O-N 3.34Å |
| 133 | A | 84.3 | Confident | 79 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -103.5 | -0.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L85 F88 F130 M131 D135 Q136 I137 | L85-A133 HydrophobicContact CD2-CB 3.89Å; F88-A133 HydrophobicContact CD1-CB 4.16Å; F88-A133 HydrophobicContact CE1-CB 4.01Å; F130-A133 CarbonylContact O-C 3.5Å; F130-A133 PolarHBondContact O-N 2.86Å; M131-A133 VanDerWaalsContact C-N 3.26Å; M131-A133 PolarHBondContact O-N 3.06Å; A133-D135 VanDerWaalsContact C-N 3.34Å; A133-D135 PolarHBondContact O-N 3.06Å; A133-Q136 WeakPolarHBondContact O-CB 3.21Å; A133-Q136 PolarHBondContact O-N 3.29Å; A133-Q136 VanDerWaalsContact O-N 3.16Å; A133-I137 WeakPolarHBondContact O-CG1 3.37Å; A133-I137 PolarHBondContact O-N 3.11Å; A133-I137 VanDerWaalsContact O-N 3.13Å |
| 134 | I | 88 | Confident | 79.8 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | -167 | -161.4 | 61.7 | 0 | 0 | 0 | 112.9 | F130 M131 Q136 I137 K138 F157 I160 N190 | F130-I134 PolarHBondContact O-N 3.33Å; M131-I134 HydrophobicContact CE-CG2 4.38Å; M131-I134 WeakPolarHBondContact O-CG2 3.23Å; M131-I134 HydrophobicContact SD-CB 4.46Å; M131-I134 HydrophobicContact SD-CG1 4.39Å; I134-Q136 VanDerWaalsContact C-N 3.33Å; I134-Q136 PolarHBondContact O-N 2.89Å; I134-I137 PolarHBondContact O-N 3.01Å; I134-K138 HydrophobicContact CG1-CD 4.43Å; I134-K138 WeakPolarHBondContact O-CB 3.26Å; I134-K138 VanDerWaalsContact O-CG 3.28Å; I134-K138 WeakPolarHBondContact O-CG 3.45Å; I134-K138 PolarHBondContact O-N 2.73Å; I134-F157 HydrophobicContact CD1-CD2 4.03Å; I134-F157 HydrophobicContact CD1-CE2 3.99Å; I134-I160 HydrophobicContact CD1-CD1 4.15Å; I134-I160 HydrophobicContact CD1-CG2 4.15Å; I134-N190 WeakPolarHBondContact CG1-OD1 3.29Å |
| 135 | D | 85.8 | Confident | 80.2 | Confident | 118 Ų | 118 | 46.2 Ų | 46.2 | 63% | 0.631 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -69.3 | -32.7 | 180 | -69.5 | -23.7 | 0 | 0 | 0 | 112.1 | A133 S139 | A133-D135 VanDerWaalsContact C-N 3.34Å; A133-D135 PolarHBondContact O-N 3.06Å; D135-S139 VanDerWaalsContact O-CB 3.31Å; D135-S139 WeakPolarHBondContact O-CB 3.23Å; D135-S139 PolarHBondContact O-N 2.96Å |
| 136 | Q | 85.4 | Confident | 80.9 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.5 | -41.8 | 173.5 | -64.2 | 168.3 | -12 | 0 | 0 | 110.5 | F88 A133 I134 S139 I140 | F88-Q136 HydrophobicContact CE1-CB 3.75Å; F88-Q136 VanDerWaalsContact CE1-OE1 3.25Å; F88-Q136 HydrophobicContact CZ-CB 3.79Å; A133-Q136 WeakPolarHBondContact O-CB 3.21Å; A133-Q136 PolarHBondContact O-N 3.29Å; A133-Q136 VanDerWaalsContact O-N 3.16Å; I134-Q136 VanDerWaalsContact C-N 3.33Å; I134-Q136 PolarHBondContact O-N 2.89Å; Q136-S139 WeakPolarHBondContact O-CB 3.29Å; Q136-S139 PolarHBondContact O-N 3.48Å; Q136-I140 WeakPolarHBondContact O-CG1 3.49Å; Q136-I140 PolarHBondContact O-N 3.35Å |
| 137 | I | 88.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 174.8 | -65.1 | 170.9 | 0 | 0 | 0 | 110.8 | F88 A133 I134 S139 I140 I141 Y153 L156 F157 I160 | F88-I137 HydrophobicContact CE1-CG1 4.19Å; F88-I137 HydrophobicContact CZ-CG1 4.08Å; A133-I137 WeakPolarHBondContact O-CG1 3.37Å; A133-I137 PolarHBondContact O-N 3.11Å; A133-I137 VanDerWaalsContact O-N 3.13Å; I134-I137 PolarHBondContact O-N 3.01Å; I137-S139 VanDerWaalsContact C-N 3.28Å; I137-S139 PolarHBondContact O-N 3.2Å; I137-I140 PolarHBondContact O-N 3.03Å; I137-I141 HydrophobicContact CG2-CD1 3.93Å; I137-I141 WeakPolarHBondContact O-CG1 3.45Å; I137-I141 PolarHBondContact O-N 3.28Å; I137-Y153 HydrophobicContact CB-CD1 4.45Å; I137-Y153 HydrophobicContact CG1-CD1 4.03Å; I137-Y153 HydrophobicContact CG1-CE1 4.16Å; I137-Y153 HydrophobicContact CG2-CD1 4.09Å; I137-L156 HydrophobicContact CD1-CD2 4.11Å; I137-F157 HydrophobicContact CG2-CB 4.2Å; I137-F157 HydrophobicContact CG2-CD2 4.13Å; I137-I160 HydrophobicContact CD1-CD1 3.85Å |
| 138 | K | 90.2 | Very high | 82.1 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.4 | -41.7 | 176.1 | -74.3 | 173.4 | 179.4 | 164.9 | 0 | 111.7 | I134 I141 S142 F157 N190 F193 | I134-K138 HydrophobicContact CG1-CD 4.43Å; I134-K138 WeakPolarHBondContact O-CB 3.26Å; I134-K138 VanDerWaalsContact O-CG 3.28Å; I134-K138 WeakPolarHBondContact O-CG 3.45Å; I134-K138 PolarHBondContact O-N 2.73Å; K138-I141 PolarHBondContact O-N 2.89Å; K138-S142 VanDerWaalsContact O-CB 3.25Å; K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.15Å; K138-S142 PolarHBondContact O-OG 2.89Å; K138-F157 HydrophobicContact CG-CE2 4.03Å; K138-N190 WeakPolarHBondContact CE-OD1 3.48Å; K138-N190 PolarHBondContact NZ-OD1 3.14Å; K138-F193 HydrophobicContact CB-CD2 3.84Å; K138-F193 HydrophobicContact CB-CE1 4.36Å; K138-F193 HydrophobicContact CB-CE2 3.58Å; K138-F193 HydrophobicContact CB-CG 4.34Å; K138-F193 HydrophobicContact CB-CZ 3.85Å; K138-F193 HydrophobicContact CD-CB 3.95Å; K138-F193 HydrophobicContact CD-CD1 4.4Å; K138-F193 HydrophobicContact CD-CD2 3.79Å; K138-F193 HydrophobicContact CD-CE2 4.41Å; K138-F193 HydrophobicContact CD-CG 3.77Å; K138-F193 HydrophobicContact CG-CB 4.35Å; K138-F193 HydrophobicContact CG-CD1 3.86Å; K138-F193 HydrophobicContact CG-CD2 3.66Å; K138-F193 HydrophobicContact CG-CE1 4Å; K138-F193 HydrophobicContact CG-CE2 3.83Å; K138-F193 HydrophobicContact CG-CG 3.66Å; K138-F193 HydrophobicContact CG-CZ 3.99Å; K138-F193 WeakPolarHBondContact O-CZ 3.36Å |
| 139 | S | 85.7 | Confident | 82.5 | Confident | 68 Ų | 68 | 42.2 Ų | 42.2 | 48% | 0.476 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.3 | -44.3 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | D135 Q136 I137 S142 G143 | D135-S139 VanDerWaalsContact O-CB 3.31Å; D135-S139 WeakPolarHBondContact O-CB 3.23Å; D135-S139 PolarHBondContact O-N 2.96Å; Q136-S139 WeakPolarHBondContact O-CB 3.29Å; Q136-S139 PolarHBondContact O-N 3.48Å; I137-S139 VanDerWaalsContact C-N 3.28Å; I137-S139 PolarHBondContact O-N 3.2Å; S139-S142 CarbonylContact O-C 3.59Å; S139-S142 PolarHBondContact O-N 3.24Å; S139-G143 PolarHBondContact O-N 2.95Å |
| 140 | I | 85.7 | Confident | 82.9 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 177.3 | -69.6 | 169.3 | 0 | 0 | 0 | 111.3 | F88 T92 Q136 I137 S142 G143 S144 Y153 | F88-I140 HydrophobicContact CE2-CD1 3.47Å; F88-I140 VanDerWaalsContact CE2-CD1 3.47Å; F88-I140 HydrophobicContact CZ-CD1 3.72Å; T92-I140 HydrophobicContact CG2-CD1 4.35Å; Q136-I140 WeakPolarHBondContact O-CG1 3.49Å; Q136-I140 PolarHBondContact O-N 3.35Å; I137-I140 PolarHBondContact O-N 3.03Å; I140-S142 PolarHBondContact O-N 3.3Å; I140-G143 PolarHBondContact O-N 2.94Å; I140-S144 WeakPolarHBondContact O-CB 3.34Å; I140-S144 PolarHBondContact O-N 3.48Å; I140-Y153 HydrophobicContact CD1-CD2 4.45Å; I140-Y153 HydrophobicContact CD1-CE1 4.3Å; I140-Y153 HydrophobicContact CD1-CE2 4.22Å; I140-Y153 HydrophobicContact CG2-CD2 3.82Å; I140-Y153 HydrophobicContact CG2-CE2 4.46Å; I140-Y153 HydrophobicContact CG2-CG 4.04Å |
| 141 | I | 86.8 | Confident | 83.2 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -33.8 | 177.3 | -65.9 | 166.7 | 0 | 0 | 0 | 110.9 | I137 K138 F157 F193 L197 G205 I209 | I137-I141 HydrophobicContact CG2-CD1 3.93Å; I137-I141 WeakPolarHBondContact O-CG1 3.45Å; I137-I141 PolarHBondContact O-N 3.28Å; K138-I141 PolarHBondContact O-N 2.89Å; I141-F157 HydrophobicContact CD1-CB 3.52Å; I141-F157 HydrophobicContact CD1-CD1 4.42Å; I141-F157 HydrophobicContact CD1-CD2 4.17Å; I141-F157 HydrophobicContact CD1-CG 3.78Å; I141-F193 HydrophobicContact CB-CZ 4.29Å; I141-F193 HydrophobicContact CG2-CE1 4.33Å; I141-F193 HydrophobicContact CG2-CZ 4.22Å; I141-L197 HydrophobicContact CG2-CD2 3.88Å; I141-G205 VanDerWaalsContact O-CA 3.23Å; I141-G205 WeakPolarHBondContact O-CA 3.4Å; I141-I209 HydrophobicContact CD1-CD1 4.43Å; I141-I209 HydrophobicContact CG2-CD1 4.41Å; I141-I209 HydrophobicContact CG2-CG1 4.23Å |
| 142 | S | 83.3 | Confident | 83.5 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 16% | 0.161 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -5.1 | -177.7 | -55.8 | 0 | 0 | 0 | 0 | 114.6 | K138 S139 I140 F193 K202 | K138-S142 VanDerWaalsContact O-CB 3.25Å; K138-S142 WeakPolarHBondContact O-CB 3.49Å; K138-S142 PolarHBondContact O-N 3.15Å; K138-S142 PolarHBondContact O-OG 2.89Å; S139-S142 CarbonylContact O-C 3.59Å; S139-S142 PolarHBondContact O-N 3.24Å; I140-S142 PolarHBondContact O-N 3.3Å; S142-F193 VanDerWaalsContact OG-CE2 3.3Å; S142-F193 WeakPolarHBondContact OG-CE2 3.24Å; S142-F193 WeakPolarHBondContact OG-CZ 3.37Å; S142-K202 VanDerWaalsContact O-CD 3.25Å; S142-K202 WeakPolarHBondContact O-CD 3.29Å; S142-K202 VanDerWaalsContact O-CE 3.3Å; S142-K202 WeakPolarHBondContact O-CE 3.44Å; S142-K202 PolarHBondContact O-NZ 2.71Å |
| 143 | G | 74.3 | Confident | 84 | Confident | 65 Ų | 65 | 33 Ų | 33 | 67% | 0.67 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -153 | -7.6 | -168 | 0 | 0 | 0 | 0 | 0 | 117 | S139 I140 | S139-G143 PolarHBondContact O-N 2.95Å; I140-G143 PolarHBondContact O-N 2.94Å |
| 144 | S | 71.2 | Confident | 84.4 | Confident | 16 Ų | 16 | 33 Ų | 33 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | trans | -76.6 | 130.3 | 179 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | I140 N146 | I140-S144 WeakPolarHBondContact O-CB 3.34Å; I140-S144 PolarHBondContact O-N 3.48Å; S144-N146 PolarHBondContact OG-N 2.87Å | ||
| 145 | S | 65.9 | Low | 84.6 | Confident | 75 Ų | 75 | 35.1 Ų | 35.1 | 52% | 0.524 | 21% | 0.211 | S | C | . | . | trans | -83.3 | -13.9 | 170.6 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | V147 | S145-V147 PolarHBondContact O-N 3.12Š| ||
| 146 | N | 80.1 | Confident | 84.8 | Confident | 53 Ų | 53 | 29.5 Ų | 29.5 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | trans | -85.1 | 115.6 | -176 | -170.5 | -57.2 | 0 | 0 | 0 | 111.4 | D103 S144 E148 C149 L150 | D103-N146 HydrophobicContact CB-CB 3.79Å; D103-N146 WeakPolarHBondContact CB-ND2 3.44Å; D103-N146 VanDerWaalsContact OD2-CB 3.3Å; D103-N146 WeakPolarHBondContact OD2-CB 3.34Å; D103-N146 PolarHBondContact OD2-ND2 2.87Å; S144-N146 PolarHBondContact OG-N 2.87Å; N146-E148 PolarHBondContact O-N 3.35Å; N146-E148 PolarHBondContact OD1-N 3.28Å; N146-E148 VanDerWaalsContact OD1-N 3.15Å; N146-C149 HydrophobicContact CB-CB 3.96Å; N146-C149 PolarHBondContact O-N 3.31Å; N146-C149 PolarHBondContact OD1-N 3.46Å; N146-L150 VanDerWaalsContact O-CB 3.26Å; N146-L150 WeakPolarHBondContact O-CB 3.45Å; N146-L150 PolarHBondContact O-N 2.81Å | ||
| 147 | V | 83.3 | Confident | 85.2 | Confident | 25 Ų | 25 | 27.7 Ų | 27.7 | 15% | 0.152 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -39.8 | -172.5 | -167.6 | 0 | 0 | 0 | 0 | 113.1 | S145 I151 V260 L263 L264 | S145-V147 PolarHBondContact O-N 3.12Å; V147-I151 HydrophobicContact CG1-CD1 3.79Å; V147-I151 HydrophobicContact CG1-CG1 4.32Å; V147-I151 WeakPolarHBondContact O-CB 3.22Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.13Å; V147-V260 HydrophobicContact CG2-CB 4.16Å; V147-V260 HydrophobicContact CG2-CG1 3.65Å; V147-V260 HydrophobicContact CG2-CG2 3.75Å; V147-L263 HydrophobicContact CB-CD2 4.36Å; V147-L263 HydrophobicContact CG1-CD2 3.94Å; V147-L263 HydrophobicContact CG1-CG 4.48Å; V147-L263 HydrophobicContact CG2-CD2 4.17Å; V147-L264 HydrophobicContact CG1-CD2 3.98Å; V147-L264 HydrophobicContact CG1-CG 4.37Å |
| 148 | E | 82.3 | Confident | 85.3 | Confident | 118 Ų | 118 | 27.7 Ų | 27.7 | 55% | 0.551 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -68.7 | -41.5 | 178.9 | -77.9 | -158.2 | -175.1 | 0 | 0 | 111.8 | K111 N146 S152 | K111-E148 IonicContact NZ-OE2 3.51Å; K111-E148 PolarHBondContact NZ-OE2 3.36Å; N146-E148 PolarHBondContact O-N 3.35Å; N146-E148 PolarHBondContact OD1-N 3.28Å; N146-E148 VanDerWaalsContact OD1-N 3.15Å; E148-S152 VanDerWaalsContact O-CB 3.29Å; E148-S152 WeakPolarHBondContact O-CB 3.33Å; E148-S152 PolarHBondContact O-N 3.06Å; E148-S152 PolarHBondContact O-OG 3.42Å |
| 149 | C | 85.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -53.1 | 176 | -166.4 | 0 | 0 | 0 | 0 | 110 | D103 N146 I151 S152 Y153 | D103-C149 HydrophobicContact CB-CB 4.39Å; N146-C149 HydrophobicContact CB-CB 3.96Å; N146-C149 PolarHBondContact O-N 3.31Å; N146-C149 PolarHBondContact OD1-N 3.46Å; C149-I151 PolarHBondContact O-N 3.19Å; C149-S152 PolarHBondContact O-N 2.96Å; C149-S152 VanDerWaalsContact O-N 3.12Å; C149-Y153 WeakPolarHBondContact O-CD2 3.44Å; C149-Y153 PolarHBondContact O-N 2.93Å; C149-Y153 VanDerWaalsContact SG-CD2 3.6Å |
| 150 | L | 86.7 | Confident | 85.3 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.3 | -49.3 | 178.4 | -170.6 | 93.1 | 0 | 0 | 0 | 112.5 | N146 A154 Q204 A208 L264 | N146-L150 VanDerWaalsContact O-CB 3.26Å; N146-L150 WeakPolarHBondContact O-CB 3.45Å; N146-L150 PolarHBondContact O-N 2.81Å; L150-A154 VanDerWaalsContact O-CB 3.27Å; L150-A154 WeakPolarHBondContact O-CB 3.38Å; L150-A154 PolarHBondContact O-N 3.45Å; L150-Q204 HydrophobicContact CD2-CB 4.09Å; L150-A208 HydrophobicContact CD2-CB 3.53Å; L150-A208 HydrophobicContact CG-CB 3.62Å; L150-L264 HydrophobicContact CD2-CD1 3.61Å |
| 151 | I | 88.7 | Confident | 85.3 | Confident | 25 Ų | 25 | 22.6 Ų | 22.6 | 13% | 0.128 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 177.3 | -67.8 | 171.1 | 0 | 0 | 0 | 110.9 | V147 C149 Y153 A154 I155 L211 L264 K267 | V147-I151 HydrophobicContact CG1-CD1 3.79Å; V147-I151 HydrophobicContact CG1-CG1 4.32Å; V147-I151 WeakPolarHBondContact O-CB 3.22Å; V147-I151 WeakPolarHBondContact O-CG1 3.43Å; V147-I151 PolarHBondContact O-N 3.13Å; C149-I151 PolarHBondContact O-N 3.19Å; I151-Y153 PolarHBondContact O-N 3.19Å; I151-A154 PolarHBondContact O-N 3Å; I151-I155 HydrophobicContact CG2-CD1 3.77Å; I151-I155 HydrophobicContact CG2-CG1 4.45Å; I151-I155 VanDerWaalsContact O-CG1 3.28Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 2.95Å; I151-L211 HydrophobicContact CD1-CD2 3.83Å; I151-L211 HydrophobicContact CG1-CD2 4.03Å; I151-L264 HydrophobicContact CD1-CD2 3.77Å; I151-L264 HydrophobicContact CG1-CD2 3.64Å; I151-K267 HydrophobicContact CD1-CD 4.37Å |
| 152 | S | 89.7 | Confident | 85.2 | Confident | 7 Ų | 7 | 27.3 Ų | 27.3 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | -175.7 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | S107 K111 E148 C149 I155 L156 | S107-S152 PolarHBondContact OG-OG 3.08Å; S107-S152 VanDerWaalsContact OG-OG 3.06Å; K111-S152 WeakPolarHBondContact CE-OG 3.43Å; E148-S152 VanDerWaalsContact O-CB 3.29Å; E148-S152 WeakPolarHBondContact O-CB 3.33Å; E148-S152 PolarHBondContact O-N 3.06Å; E148-S152 PolarHBondContact O-OG 3.42Å; C149-S152 PolarHBondContact O-N 2.96Å; C149-S152 VanDerWaalsContact O-N 3.12Å; S152-I155 PolarHBondContact O-N 2.94Å; S152-L156 PolarHBondContact O-N 3.1Å |
| 153 | Y | 92.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.2 | -32.1 | 177.4 | -81 | -80.9 | 0 | 0 | 0 | 113.2 | F88 L106 A110 I137 I140 C149 I151 I155 L156 F157 | F88-Y153 HydrophobicContact CD2-CE1 4.12Å; F88-Y153 AromaticContact CD2-CZ 3.83Å; F88-Y153 WeakPolarHBondContact CD2-OH 3.27Å; F88-Y153 AromaticContact CE2-CE1 3.56Å; F88-Y153 HydrophobicContact CE2-CE1 3.56Å; F88-Y153 AromaticContact CE2-CZ 3.46Å; F88-Y153 VanDerWaalsContact CE2-CZ 3.46Å; F88-Y153 WeakPolarHBondContact CE2-OH 3.4Å; F88-Y153 AromaticContact CZ-CE1 3.97Å; F88-Y153 HydrophobicContact CZ-CE1 3.97Å; L106-Y153 HydrophobicContact CB-CE2 3.93Å; L106-Y153 WeakPolarHBondContact O-CE2 3.32Å; L106-Y153 PolarHBondContact O-OH 3.45Å; L106-Y153 VanDerWaalsContact O-OH 3.11Å; A110-Y153 HydrophobicContact CB-CD1 4.16Å; A110-Y153 HydrophobicContact CB-CD2 3.86Å; A110-Y153 HydrophobicContact CB-CE1 4.04Å; A110-Y153 HydrophobicContact CB-CE2 3.69Å; A110-Y153 HydrophobicContact CB-CG 4.08Å; I137-Y153 HydrophobicContact CB-CD1 4.45Å; I137-Y153 HydrophobicContact CG1-CD1 4.03Å; I137-Y153 HydrophobicContact CG1-CE1 4.16Å; I137-Y153 HydrophobicContact CG2-CD1 4.09Å; I140-Y153 HydrophobicContact CD1-CD2 4.45Å; I140-Y153 HydrophobicContact CD1-CE1 4.3Å; I140-Y153 HydrophobicContact CD1-CE2 4.22Å; I140-Y153 HydrophobicContact CG2-CD2 3.82Å; I140-Y153 HydrophobicContact CG2-CE2 4.46Å; I140-Y153 HydrophobicContact CG2-CG 4.04Å; C149-Y153 WeakPolarHBondContact O-CD2 3.44Å; C149-Y153 PolarHBondContact O-N 2.93Å; C149-Y153 VanDerWaalsContact SG-CD2 3.6Å; I151-Y153 PolarHBondContact O-N 3.19Å; Y153-I155 VanDerWaalsContact C-N 3.33Å; Y153-L156 HydrophobicContact CD1-CD2 3.97Å; Y153-L156 HydrophobicContact CE1-CD2 4.07Å; Y153-L156 PolarHBondContact O-N 3.35Å; Y153-F157 VanDerWaalsContact O-CB 3.26Å; Y153-F157 WeakPolarHBondContact O-CB 3.39Å; Y153-F157 PolarHBondContact O-N 2.92Å |
| 154 | A | 92.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L150 I151 F157 I158 A208 I209 A212 | L150-A154 VanDerWaalsContact O-CB 3.27Å; L150-A154 WeakPolarHBondContact O-CB 3.38Å; L150-A154 PolarHBondContact O-N 3.45Å; I151-A154 PolarHBondContact O-N 3Å; A154-F157 PolarHBondContact O-N 3.47Å; A154-I158 WeakPolarHBondContact O-CG1 3.28Å; A154-I158 PolarHBondContact O-N 3.3Å; A154-A208 HydrophobicContact CB-CB 3.79Å; A154-A208 WeakPolarHBondContact CB-O 3.47Å; A154-I209 HydrophobicContact CB-CD1 4.01Å; A154-I209 HydrophobicContact CB-CG1 4.48Å; A154-A212 HydrophobicContact CB-CB 3.99Å |
| 155 | I | 92.5 | Very high | 86.1 | Confident | 50 Ų | 50 | 29.7 Ų | 29.7 | 26% | 0.256 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.2 | -65.7 | 167 | 0 | 0 | 0 | 110.9 | V114 I151 S152 Y153 F157 I158 N159 A212 I216 | V114-I155 HydrophobicContact CB-CG2 4.49Å; V114-I155 HydrophobicContact CG1-CG2 3.78Å; V114-I155 HydrophobicContact CG2-CB 4.45Å; V114-I155 HydrophobicContact CG2-CG2 3.85Å; I151-I155 HydrophobicContact CG2-CD1 3.77Å; I151-I155 HydrophobicContact CG2-CG1 4.45Å; I151-I155 VanDerWaalsContact O-CG1 3.28Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 2.95Å; S152-I155 PolarHBondContact O-N 2.94Å; Y153-I155 VanDerWaalsContact C-N 3.33Å; I155-F157 PolarHBondContact O-N 2.86Å; I155-I158 PolarHBondContact O-N 3.14Å; I155-N159 PolarHBondContact O-N 3.05Å; I155-N159 VanDerWaalsContact O-N 3.1Å; I155-N159 PolarHBondContact O-ND2 2.95Å; I155-A212 HydrophobicContact CB-CB 4.39Å; I155-A212 HydrophobicContact CG1-CB 3.72Å; I155-I216 HydrophobicContact CG2-CD1 4.3Å |
| 156 | L | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -47.4 | 176.4 | -179 | 62.2 | 0 | 0 | 0 | 111.5 | A110 M113 V114 L117 F130 I137 S152 Y153 I158 N159 I160 | A110-L156 HydrophobicContact CB-CD2 4.42Å; M113-L156 HydrophobicContact CB-CD1 3.84Å; M113-L156 HydrophobicContact CB-CD2 4.37Å; M113-L156 HydrophobicContact CE-CD2 3.84Å; M113-L156 HydrophobicContact SD-CD2 4.32Å; V114-L156 HydrophobicContact CG2-CB 3.78Å; V114-L156 HydrophobicContact CG2-CD1 3.95Å; V114-L156 HydrophobicContact CG2-CG 4.48Å; L117-L156 HydrophobicContact CD1-CD1 3.71Å; F130-L156 HydrophobicContact CE1-CD1 4.02Å; F130-L156 HydrophobicContact CE1-CD2 4.42Å; F130-L156 HydrophobicContact CZ-CD1 4.35Å; I137-L156 HydrophobicContact CD1-CD2 4.11Å; S152-L156 PolarHBondContact O-N 3.1Å; Y153-L156 HydrophobicContact CD1-CD2 3.97Å; Y153-L156 HydrophobicContact CE1-CD2 4.07Å; Y153-L156 PolarHBondContact O-N 3.35Å; L156-I158 PolarHBondContact O-N 3.24Å; L156-N159 PolarHBondContact O-N 2.92Å; L156-N159 VanDerWaalsContact O-N 3.16Å; L156-I160 HydrophobicContact CD1-CD1 4.48Å; L156-I160 HydrophobicContact CG-CD1 4.07Å; L156-I160 WeakPolarHBondContact O-CG1 3.31Å; L156-I160 PolarHBondContact O-N 3.03Å |
| 157 | F | 92.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | -179.1 | -178 | -94.5 | 0 | 0 | 0 | 112.3 | I134 I137 K138 I141 Y153 A154 I155 N159 I160 V161 N190 F193 L194 I209 | I134-F157 HydrophobicContact CD1-CD2 4.03Å; I134-F157 HydrophobicContact CD1-CE2 3.99Å; I137-F157 HydrophobicContact CG2-CB 4.2Å; I137-F157 HydrophobicContact CG2-CD2 4.13Å; K138-F157 HydrophobicContact CG-CE2 4.03Å; I141-F157 HydrophobicContact CD1-CB 3.52Å; I141-F157 HydrophobicContact CD1-CD1 4.42Å; I141-F157 HydrophobicContact CD1-CD2 4.17Å; I141-F157 HydrophobicContact CD1-CG 3.78Å; Y153-F157 VanDerWaalsContact O-CB 3.26Å; Y153-F157 WeakPolarHBondContact O-CB 3.39Å; Y153-F157 PolarHBondContact O-N 2.92Å; A154-F157 PolarHBondContact O-N 3.47Å; I155-F157 PolarHBondContact O-N 2.86Å; F157-N159 VanDerWaalsContact C-N 3.3Å; F157-N159 PolarHBondContact O-N 3.06Å; F157-I160 WeakPolarHBondContact O-CB 3.43Å; F157-I160 PolarHBondContact O-N 3.38Å; F157-I160 VanDerWaalsContact O-N 3.1Å; F157-V161 HydrophobicContact CD1-CG2 4.15Å; F157-V161 HydrophobicContact CE1-CG2 3.71Å; F157-V161 HydrophobicContact CZ-CG2 3.99Å; F157-V161 WeakPolarHBondContact O-CG2 3.33Å; F157-V161 PolarHBondContact O-N 3.16Å; F157-N190 HydrophobicContact CE2-CB 4.27Å; F157-N190 HydrophobicContact CZ-CB 3.92Å; F157-F193 AromaticContact CE1-CD1 3.91Å; F157-F193 HydrophobicContact CE1-CD1 3.91Å; F157-F193 HydrophobicContact CE1-CE1 4.31Å; F157-F193 AromaticContact CE2-CD1 3.92Å; F157-F193 HydrophobicContact CE2-CD1 3.92Å; F157-F193 HydrophobicContact CE2-CE1 4.36Å; F157-F193 HydrophobicContact CZ-CB 4.47Å; F157-F193 AromaticContact CZ-CD1 3.43Å; F157-F193 HydrophobicContact CZ-CD1 3.43Å; F157-F193 VanDerWaalsContact CZ-CD1 3.43Å; F157-F193 HydrophobicContact CZ-CE1 4.1Å; F157-F193 HydrophobicContact CZ-CG 4.33Å; F157-L194 HydrophobicContact CD1-CD2 4.42Å; F157-L194 HydrophobicContact CE1-CD1 4.36Å; F157-L194 HydrophobicContact CE1-CD2 3.75Å; F157-L194 HydrophobicContact CE1-CG 3.92Å; F157-I209 HydrophobicContact CD1-CD1 3.91Å |
| 158 | I | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -35.9 | 176.3 | -64 | -66.5 | 0 | 0 | 0 | 111.6 | A154 I155 L156 I160 V161 K162 I172 I209 A212 L213 I216 | A154-I158 WeakPolarHBondContact O-CG1 3.28Å; A154-I158 PolarHBondContact O-N 3.3Å; I155-I158 PolarHBondContact O-N 3.14Å; L156-I158 PolarHBondContact O-N 3.24Å; I158-I160 VanDerWaalsContact C-N 3.34Å; I158-V161 PolarHBondContact O-N 2.65Å; I158-K162 WeakPolarHBondContact O-CB 3.42Å; I158-K162 PolarHBondContact O-N 3.4Å; I158-I172 HydrophobicContact CD1-CD1 3.99Å; I158-I209 HydrophobicContact CD1-CD1 4.26Å; I158-I209 HydrophobicContact CD1-CG2 4.09Å; I158-I209 HydrophobicContact CG1-CD1 4.26Å; I158-A212 HydrophobicContact CG1-CB 4.15Å; I158-L213 HydrophobicContact CD1-CD2 4.1Å; I158-L213 HydrophobicContact CD1-CG 4.19Å; I158-L213 HydrophobicContact CG2-CD2 4.09Å; I158-I216 HydrophobicContact CB-CD1 3.71Å; I158-I216 HydrophobicContact CG2-CD1 3.45Å; I158-I216 VanDerWaalsContact CG2-CD1 3.45Å |
| 159 | N | 87.5 | Confident | 87.1 | Confident | 16 Ų | 16 | 33.1 Ų | 33.1 | 9% | 0.086 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.3 | -35.3 | 172.5 | -78.6 | -78.1 | 0 | 0 | 0 | 112.3 | L117 I155 L156 F157 K162 L163 | L117-N159 HydrophobicContact CD1-CB 4.24Å; I155-N159 PolarHBondContact O-N 3.05Å; I155-N159 VanDerWaalsContact O-N 3.1Å; I155-N159 PolarHBondContact O-ND2 2.95Å; L156-N159 PolarHBondContact O-N 2.92Å; L156-N159 VanDerWaalsContact O-N 3.16Å; F157-N159 VanDerWaalsContact C-N 3.3Å; F157-N159 PolarHBondContact O-N 3.06Å; N159-K162 WeakPolarHBondContact O-CB 3.41Å; N159-K162 PolarHBondContact O-N 3.05Å; N159-L163 WeakPolarHBondContact O-CG 3.19Å; N159-L163 PolarHBondContact O-N 3.49Å; N159-L163 VanDerWaalsContact O-N 3.13Å |
| 160 | I | 87.3 | Confident | 87 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 173.2 | -65.9 | 164.6 | 0 | 0 | 0 | 110.7 | Y127 F130 I134 I137 L156 F157 I158 K162 L163 E164 | Y127-I160 HydrophobicContact CE2-CG2 4.29Å; F130-I160 HydrophobicContact CB-CD1 4.02Å; F130-I160 HydrophobicContact CB-CG1 4.25Å; F130-I160 HydrophobicContact CD1-CD1 3.83Å; F130-I160 HydrophobicContact CD1-CG1 4.32Å; F130-I160 HydrophobicContact CG-CD1 4.02Å; F130-I160 HydrophobicContact CG-CG1 4.14Å; I134-I160 HydrophobicContact CD1-CD1 4.15Å; I134-I160 HydrophobicContact CD1-CG2 4.15Å; I137-I160 HydrophobicContact CD1-CD1 3.85Å; L156-I160 HydrophobicContact CD1-CD1 4.48Å; L156-I160 HydrophobicContact CG-CD1 4.07Å; L156-I160 WeakPolarHBondContact O-CG1 3.31Å; L156-I160 PolarHBondContact O-N 3.03Å; F157-I160 WeakPolarHBondContact O-CB 3.43Å; F157-I160 PolarHBondContact O-N 3.38Å; F157-I160 VanDerWaalsContact O-N 3.1Å; I158-I160 VanDerWaalsContact C-N 3.34Å; I160-K162 VanDerWaalsContact C-N 3.27Å; I160-K162 PolarHBondContact O-N 2.86Å; I160-L163 WeakPolarHBondContact O-CB 3.06Å; I160-L163 PolarHBondContact O-N 2.91Å; I160-E164 PolarHBondContact O-N 3.03Å |
| 161 | V | 87 | Confident | 86.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | 176.2 | 178 | 0 | 0 | 0 | 0 | 111.2 | F157 I158 L163 E164 R165 I172 N190 L191 | F157-V161 HydrophobicContact CD1-CG2 4.15Å; F157-V161 HydrophobicContact CE1-CG2 3.71Å; F157-V161 HydrophobicContact CZ-CG2 3.99Å; F157-V161 WeakPolarHBondContact O-CG2 3.33Å; F157-V161 PolarHBondContact O-N 3.16Å; I158-V161 PolarHBondContact O-N 2.65Å; V161-L163 VanDerWaalsContact C-N 3.25Å; V161-L163 PolarHBondContact O-N 3.32Å; V161-E164 PolarHBondContact O-N 2.97Å; V161-E164 VanDerWaalsContact O-N 3.11Å; V161-R165 PolarHBondContact O-N 3.32Å; V161-I172 HydrophobicContact CB-CD1 4.46Å; V161-I172 HydrophobicContact CG1-CD1 3.85Å; V161-I172 HydrophobicContact CG1-CG1 4.08Å; V161-N190 HydrophobicContact CG2-CB 4Å; V161-L191 HydrophobicContact CG1-CD2 4.26Å |
| 162 | K | 85.3 | Confident | 86.9 | Confident | 99 Ų | 99 | 38.2 Ų | 38.2 | 43% | 0.43 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.4 | -29.2 | 174 | 179.5 | 175.3 | 179.2 | -177.1 | 0 | 113.3 | I158 N159 I160 Y168 | I158-K162 WeakPolarHBondContact O-CB 3.42Å; I158-K162 PolarHBondContact O-N 3.4Å; N159-K162 WeakPolarHBondContact O-CB 3.41Å; N159-K162 PolarHBondContact O-N 3.05Å; I160-K162 VanDerWaalsContact C-N 3.27Å; I160-K162 PolarHBondContact O-N 2.86Å; K162-Y168 HydrophobicContact CB-CD1 4.07Å; K162-Y168 HydrophobicContact CB-CD2 4.1Å; K162-Y168 HydrophobicContact CB-CE1 4.38Å; K162-Y168 HydrophobicContact CB-CE2 4.42Å; K162-Y168 HydrophobicContact CB-CG 3.92Å; K162-Y168 HydrophobicContact CD-CD1 4.28Å; K162-Y168 HydrophobicContact CD-CE1 3.79Å; K162-Y168 HydrophobicContact CD-CE2 4.44Å; K162-Y168 HydrophobicContact CG-CD1 3.68Å; K162-Y168 HydrophobicContact CG-CD2 4.47Å; K162-Y168 HydrophobicContact CG-CE1 3.72Å; K162-Y168 HydrophobicContact CG-CG 4.07Å |
| 163 | L | 81.2 | Confident | 86.7 | Confident | 68 Ų | 68 | 38 Ų | 38 | 36% | 0.356 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -77.6 | -33.2 | 172.2 | -66 | 170.5 | 0 | 0 | 0 | 112.2 | L117 A122 Y127 N159 I160 V161 | L117-L163 HydrophobicContact CD1-CD1 4.45Å; L117-L163 HydrophobicContact CD2-CD1 3.72Å; A122-L163 HydrophobicContact CB-CD2 3.44Å; A122-L163 VanDerWaalsContact CB-CD2 3.44Å; Y127-L163 HydrophobicContact CD2-CB 4.33Å; N159-L163 WeakPolarHBondContact O-CG 3.19Å; N159-L163 PolarHBondContact O-N 3.49Å; N159-L163 VanDerWaalsContact O-N 3.13Å; I160-L163 WeakPolarHBondContact O-CB 3.06Å; I160-L163 PolarHBondContact O-N 2.91Å; V161-L163 VanDerWaalsContact C-N 3.25Å; V161-L163 PolarHBondContact O-N 3.32Å |
| 164 | E | 82.5 | Confident | 86.3 | Confident | 38 Ų | 38 | 41 Ų | 41 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.4 | -36.2 | -179.9 | -175.2 | -179.1 | 171.9 | 0 | 0 | 113 | Y127 I160 V161 N190 | Y127-E164 HydrophobicContact CE2-CB 3.76Å; Y127-E164 HydrophobicContact CE2-CG 4.24Å; Y127-E164 VanDerWaalsContact OH-CG 3.28Å; Y127-E164 WeakPolarHBondContact OH-CG 3.3Å; I160-E164 PolarHBondContact O-N 3.03Å; V161-E164 PolarHBondContact O-N 2.97Å; V161-E164 VanDerWaalsContact O-N 3.11Å; E164-N190 VanDerWaalsContact OE2-CB 3.28Å; E164-N190 WeakPolarHBondContact OE2-CB 3.24Å; E164-N190 PolarHBondContact OE2-ND2 3.28Å |
| 165 | R | 83.4 | Confident | 86 | Confident | 48 Ų | 48 | 41.4 Ų | 41.4 | 18% | 0.181 | 20% | 0.204 | C | C | . | . | trans | -124.4 | 129.3 | -169.8 | -64.8 | -59.9 | -163.6 | -104.5 | -5.8 | 112.1 | V161 E171 T188 | V161-R165 PolarHBondContact O-N 3.32Å; R165-E171 WeakPolarHBondContact CD-OE2 3.24Å; R165-E171 WeakPolarHBondContact CG-OE2 3.39Å; R165-E171 IonicContact NE-OE2 2.72Å; R165-E171 PolarHBondContact NE-OE2 3.42Å; R165-E171 VanDerWaalsContact NE-OE2 3.11Å; R165-T188 PolarHBondContact NH2-O 3.07Å; R165-T188 PolarHBondContact NH2-OG1 3.01Å | ||
| 166 | Q | 76.9 | Confident | 85.5 | Confident | 193 Ų | 193 | 39.2 Ų | 39.2 | 90% | 0.902 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -41.9 | 176 | -74.7 | -170.2 | -14.7 | 0 | 0 | 112.2 | ||
| 167 | N | 83.2 | Confident | 85 | Confident | 107 Ų | 107 | 41.1 Ų | 41.1 | 57% | 0.572 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 40.9 | 179.2 | -69.9 | -29 | 0 | 0 | 0 | 111.8 | L169 T170 E171 | N167-L169 PolarHBondContact O-N 3.39Å; N167-T170 PolarHBondContact O-N 3.05Å; N167-T170 VanDerWaalsContact O-N 3.15Å; N167-E171 PolarHBondContact O-N 3.23Å; N167-E171 VanDerWaalsContact O-N 3.1Å |
| 168 | Y | 86 | Confident | 84.2 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -49.8 | -39.2 | -170.7 | 79.3 | -82.6 | 0 | 0 | 0 | 114.3 | K162 I172 | K162-Y168 HydrophobicContact CB-CD1 4.07Å; K162-Y168 HydrophobicContact CB-CD2 4.1Å; K162-Y168 HydrophobicContact CB-CE1 4.38Å; K162-Y168 HydrophobicContact CB-CE2 4.42Å; K162-Y168 HydrophobicContact CB-CG 3.92Å; K162-Y168 HydrophobicContact CD-CD1 4.28Å; K162-Y168 HydrophobicContact CD-CE1 3.79Å; K162-Y168 HydrophobicContact CD-CE2 4.44Å; K162-Y168 HydrophobicContact CG-CD1 3.68Å; K162-Y168 HydrophobicContact CG-CD2 4.47Å; K162-Y168 HydrophobicContact CG-CE1 3.72Å; K162-Y168 HydrophobicContact CG-CG 4.07Å; Y168-I172 HydrophobicContact CD2-CD1 3.97Å; Y168-I172 VanDerWaalsContact O-CB 3.28Å; Y168-I172 WeakPolarHBondContact O-CB 3.41Å; Y168-I172 WeakPolarHBondContact O-CD1 3.44Å; Y168-I172 WeakPolarHBondContact O-CG1 3.22Å; Y168-I172 PolarHBondContact O-N 3.34Å |
| 169 | L | 85.6 | Confident | 83.2 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -50 | -176.6 | -179.5 | 60.7 | 0 | 0 | 0 | 111.2 | N167 I172 L173 I217 D221 I232 | N167-L169 PolarHBondContact O-N 3.39Å; L169-I172 PolarHBondContact O-N 3.49Å; L169-L173 HydrophobicContact CD1-CD1 4.1Å; L169-L173 HydrophobicContact CD1-CG 4.29Å; L169-L173 HydrophobicContact CG-CD1 4.1Å; L169-L173 VanDerWaalsContact O-CG 3.24Å; L169-L173 WeakPolarHBondContact O-CG 3.38Å; L169-L173 PolarHBondContact O-N 3.4Å; L169-I217 HydrophobicContact CD1-CD1 3.89Å; L169-I217 HydrophobicContact CD1-CG1 3.77Å; L169-I217 HydrophobicContact CD2-CG1 4.47Å; L169-D221 HydrophobicContact CD2-CB 3.7Å; L169-I232 HydrophobicContact CD2-CD1 4.25Å |
| 170 | T | 82.9 | Confident | 82.1 | Confident | 74 Ų | 74 | 51.7 Ų | 51.7 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 179.7 | -32.6 | 0 | 0 | 0 | 0 | 110.5 | N167 I172 L173 D174 | N167-T170 PolarHBondContact O-N 3.05Å; N167-T170 VanDerWaalsContact O-N 3.15Å; T170-I172 PolarHBondContact O-N 3.11Å; T170-L173 PolarHBondContact O-N 2.66Å; T170-D174 WeakPolarHBondContact O-CB 3.46Å; T170-D174 VanDerWaalsContact O-CG 3.27Å; T170-D174 PolarHBondContact O-N 3.36Å |
| 171 | E | 86.3 | Confident | 81 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 178.9 | -68.8 | 177.8 | -123.4 | 0 | 0 | 112.6 | R165 N167 V175 L191 | R165-E171 WeakPolarHBondContact CD-OE2 3.24Å; R165-E171 WeakPolarHBondContact CG-OE2 3.39Å; R165-E171 IonicContact NE-OE2 2.72Å; R165-E171 PolarHBondContact NE-OE2 3.42Å; R165-E171 VanDerWaalsContact NE-OE2 3.11Å; N167-E171 PolarHBondContact O-N 3.23Å; N167-E171 VanDerWaalsContact O-N 3.1Å; E171-V175 WeakPolarHBondContact O-CG2 3.25Å; E171-V175 PolarHBondContact O-N 3.43Å; E171-V175 VanDerWaalsContact O-N 3.08Å; E171-L191 HydrophobicContact CB-CD1 4.02Å |
| 172 | I | 87.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 175 | -72.5 | 168.4 | 0 | 0 | 0 | 110 | I158 V161 Y168 L169 T170 D174 V175 L176 L191 L194 L213 | I158-I172 HydrophobicContact CD1-CD1 3.99Å; V161-I172 HydrophobicContact CB-CD1 4.46Å; V161-I172 HydrophobicContact CG1-CD1 3.85Å; V161-I172 HydrophobicContact CG1-CG1 4.08Å; Y168-I172 HydrophobicContact CD2-CD1 3.97Å; Y168-I172 VanDerWaalsContact O-CB 3.28Å; Y168-I172 WeakPolarHBondContact O-CB 3.41Å; Y168-I172 WeakPolarHBondContact O-CD1 3.44Å; Y168-I172 WeakPolarHBondContact O-CG1 3.22Å; Y168-I172 PolarHBondContact O-N 3.34Å; L169-I172 PolarHBondContact O-N 3.49Å; T170-I172 PolarHBondContact O-N 3.11Å; I172-D174 VanDerWaalsContact C-N 3.32Å; I172-D174 PolarHBondContact O-N 2.84Å; I172-V175 PolarHBondContact O-N 3.09Å; I172-L176 HydrophobicContact CG2-CD1 3.95Å; I172-L176 HydrophobicContact CG2-CG 4.19Å; I172-L176 VanDerWaalsContact O-CG 3.25Å; I172-L176 WeakPolarHBondContact O-CG 3.32Å; I172-L176 PolarHBondContact O-N 3.24Å; I172-L191 HydrophobicContact CG1-CD2 3.95Å; I172-L194 HydrophobicContact CB-CD1 4.47Å; I172-L194 HydrophobicContact CD1-CD1 4.39Å; I172-L194 HydrophobicContact CG1-CD1 3.82Å; I172-L194 HydrophobicContact CG2-CD1 4.1Å; I172-L213 HydrophobicContact CD1-CD2 4.3Å; I172-L213 HydrophobicContact CG2-CD1 4.02Å; I172-L213 HydrophobicContact CG2-CD2 4.3Å |
| 173 | L | 85.9 | Confident | 78.5 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | -178.4 | -66.9 | 171.4 | 0 | 0 | 0 | 111.6 | L169 T170 V175 L176 N177 Y226 I232 Y235 | L169-L173 HydrophobicContact CD1-CD1 4.1Å; L169-L173 HydrophobicContact CD1-CG 4.29Å; L169-L173 HydrophobicContact CG-CD1 4.1Å; L169-L173 VanDerWaalsContact O-CG 3.24Å; L169-L173 WeakPolarHBondContact O-CG 3.38Å; L169-L173 PolarHBondContact O-N 3.4Å; T170-L173 PolarHBondContact O-N 2.66Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 2.93Å; L173-L176 PolarHBondContact O-N 3.44Å; L173-N177 WeakPolarHBondContact O-CB 3.48Å; L173-N177 PolarHBondContact O-N 3.39Å; L173-Y226 HydrophobicContact CB-CD2 4.14Å; L173-Y226 HydrophobicContact CB-CE1 4.04Å; L173-Y226 HydrophobicContact CB-CE2 3.54Å; L173-Y226 HydrophobicContact CD1-CD2 3.89Å; L173-Y226 HydrophobicContact CD1-CE2 4.14Å; L173-Y226 HydrophobicContact CD1-CG 4.25Å; L173-Y226 HydrophobicContact CG-CE2 4.48Å; L173-Y226 PolarHBondContact O-OH 3.31Å; L173-Y226 VanDerWaalsContact O-OH 3.1Å; L173-I232 HydrophobicContact CD1-CD1 3.71Å; L173-I232 HydrophobicContact CD1-CG1 3.85Å; L173-I232 HydrophobicContact CD1-CG2 4.25Å; L173-Y235 HydrophobicContact CD2-CD1 3.66Å; L173-Y235 HydrophobicContact CD2-CE1 3.61Å |
| 174 | D | 84 | Confident | 77.5 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 35% | 0.348 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 177 | -69.9 | -18.1 | 0 | 0 | 0 | 111.9 | T170 I172 N177 Q178 Y226 | T170-D174 WeakPolarHBondContact O-CB 3.46Å; T170-D174 VanDerWaalsContact O-CG 3.27Å; T170-D174 PolarHBondContact O-N 3.36Å; I172-D174 VanDerWaalsContact C-N 3.32Å; I172-D174 PolarHBondContact O-N 2.84Å; D174-N177 PolarHBondContact O-N 2.94Å; D174-Q178 WeakPolarHBondContact O-CG 3.15Å; D174-Q178 PolarHBondContact O-N 2.92Å; D174-Y226 WeakPolarHBondContact CA-OH 3.43Å; D174-Y226 PolarHBondContact N-OH 3.08Å; D174-Y226 VanDerWaalsContact N-OH 3.13Å; D174-Y226 WeakPolarHBondContact OD1-CE2 3.48Å; D174-Y226 PolarHBondContact OD1-OH 3.22Å |
| 175 | V | 84.9 | Confident | 76.4 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 174.6 | 169.6 | 0 | 0 | 0 | 0 | 112 | E171 I172 L173 N177 I187 L191 L194 F195 | E171-V175 WeakPolarHBondContact O-CG2 3.25Å; E171-V175 PolarHBondContact O-N 3.43Å; E171-V175 VanDerWaalsContact O-N 3.08Å; I172-V175 PolarHBondContact O-N 3.09Å; L173-V175 VanDerWaalsContact C-N 3.34Å; L173-V175 PolarHBondContact O-N 2.93Å; V175-N177 VanDerWaalsContact C-N 3.29Å; V175-N177 PolarHBondContact O-N 3.27Å; V175-I187 HydrophobicContact CG2-CG1 4.47Å; V175-L191 HydrophobicContact CG2-CB 4.08Å; V175-L191 HydrophobicContact CG2-CD1 4.26Å; V175-L191 HydrophobicContact CG2-CD2 4.29Å; V175-L191 HydrophobicContact CG2-CG 4.44Å; V175-L194 HydrophobicContact CG1-CB 4.19Å; V175-F195 HydrophobicContact CG1-CB 3.79Å; V175-F195 HydrophobicContact CG1-CD2 4.43Å |
| 176 | L | 83.7 | Confident | 75.6 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.9 | -27.8 | 177.7 | -67 | -176.2 | 0 | 0 | 0 | 112.8 | I172 L173 F198 L210 L213 Y235 M239 | I172-L176 HydrophobicContact CG2-CD1 3.95Å; I172-L176 HydrophobicContact CG2-CG 4.19Å; I172-L176 VanDerWaalsContact O-CG 3.25Å; I172-L176 WeakPolarHBondContact O-CG 3.32Å; I172-L176 PolarHBondContact O-N 3.24Å; L173-L176 PolarHBondContact O-N 3.44Å; L176-F198 HydrophobicContact CD1-CZ 4.3Å; L176-F198 HydrophobicContact CD2-CB 4.19Å; L176-F198 HydrophobicContact CD2-CD1 3.66Å; L176-F198 HydrophobicContact CD2-CD2 3.21Å; L176-F198 HydrophobicContact CD2-CE1 3.71Å; L176-F198 HydrophobicContact CD2-CE2 3.29Å; L176-F198 HydrophobicContact CD2-CG 3.39Å; L176-F198 HydrophobicContact CD2-CZ 3.53Å; L176-L210 HydrophobicContact CD1-CD2 4.42Å; L176-L213 HydrophobicContact CD1-CD1 4.18Å; L176-Y235 HydrophobicContact CB-CE1 4.4Å; L176-Y235 VanDerWaalsContact CB-OH 3.26Å; L176-Y235 WeakPolarHBondContact CB-OH 3.22Å; L176-Y235 PolarHBondContact O-OH 2.96Å; L176-M239 HydrophobicContact CB-CE 4.11Å |
| 177 | N | 79.6 | Confident | 75.4 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -89.2 | -11.3 | -178.1 | -168.7 | 47.3 | 0 | 0 | 0 | 113.8 | L173 D174 V175 Y226 N227 Y229 Y235 | L173-N177 WeakPolarHBondContact O-CB 3.48Å; L173-N177 PolarHBondContact O-N 3.39Å; D174-N177 PolarHBondContact O-N 2.94Å; V175-N177 VanDerWaalsContact C-N 3.29Å; V175-N177 PolarHBondContact O-N 3.27Å; N177-Y226 HydrophobicContact CB-CE1 4.34Å; N177-N227 PolarHBondContact ND2-ND2 3.08Å; N177-Y229 WeakPolarHBondContact OD1-CE2 3.21Å; N177-Y229 PolarHBondContact OD1-OH 3.31Å; N177-Y235 WeakPolarHBondContact CA-OH 3.28Å; N177-Y235 HydrophobicContact CB-CE2 4.29Å; N177-Y235 PolarHBondContact N-OH 3.44Å; N177-Y235 VanDerWaalsContact N-OH 3.12Å |
| 178 | Q | 77.8 | Confident | 75.1 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 21% | 0.206 | 34% | 0.339 | C | S | . | . | trans | -72.7 | 139.6 | -179.9 | -81.7 | -178.3 | 34.3 | 0 | 0 | 112.6 | D174 S184 F195 H199 | D174-Q178 WeakPolarHBondContact O-CG 3.15Å; D174-Q178 PolarHBondContact O-N 2.92Å; Q178-S184 PolarHBondContact NE2-OG 3.46Å; Q178-S184 PolarHBondContact OE1-OG 2.82Å; Q178-F195 HydrophobicContact CB-CE2 4.08Å; Q178-H199 PolarHBondContact O-CE1 3.32Å; Q178-H199 PolarHBondContact O-NE2 2.81Å | ||
| 179 | S | 68.1 | Low | 74.9 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | trans | -82.9 | 147.1 | 173 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | N181 S182 | S179-N181 PolarHBondContact O-N 2.93Å; S179-S182 PolarHBondContact O-N 2.96Å; S179-S182 VanDerWaalsContact O-N 3.13Å; S179-S182 PolarHBondContact OG-OG 3.34Å | ||
| 180 | E | 65.7 | Low | 74.9 | Confident | 137 Ų | 137 | 58.9 Ų | 58.9 | 64% | 0.64 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -30.9 | 179.5 | -152 | 171.4 | -170.8 | 0 | 0 | 113.9 | S182 H199 | E180-S182 VanDerWaalsContact C-N 3.34Å; E180-S182 PolarHBondContact O-N 3.34Å; E180-H199 PolarHBondContact N-NE2 3.22Å |
| 181 | N | 63.9 | Low | 75 | Confident | 159 Ų | 159 | 55.6 Ų | 55.6 | 85% | 0.85 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -11.4 | -175.4 | -66.4 | -28.2 | 0 | 0 | 0 | 114.7 | S179 | S179-N181 PolarHBondContact O-N 2.93Š|
| 182 | S | 59.4 | Low | 75 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | trans | -148.6 | 68.6 | -175 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | S179 E180 S184 | S179-S182 PolarHBondContact O-N 2.96Å; S179-S182 VanDerWaalsContact O-N 3.13Å; S179-S182 PolarHBondContact OG-OG 3.34Å; E180-S182 VanDerWaalsContact C-N 3.34Å; E180-S182 PolarHBondContact O-N 3.34Å; S182-S184 PolarHBondContact O-N 3.34Å | ||
| 183 | P | 59.6 | Low | 75.1 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | trans | -66.2 | 130.5 | 174.8 | 27.6 | -32.7 | 0 | 0 | 0 | 110.1 | I187 F195 | P183-I187 HydrophobicContact CB-CD1 4.46Å; P183-F195 HydrophobicContact CB-CZ 4.18Å | ||
| 184 | S | 61.4 | Low | 75.2 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | trans | -63.6 | 144.4 | 170.6 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | Q178 S182 D186 I187 | Q178-S184 PolarHBondContact NE2-OG 3.46Å; Q178-S184 PolarHBondContact OE1-OG 2.82Å; S182-S184 PolarHBondContact O-N 3.34Å; S184-D186 PolarHBondContact O-N 2.92Å; S184-I187 PolarHBondContact O-N 3.23Å; S184-I187 WeakPolarHBondContact OG-CG1 3.43Å | ||
| 185 | S | 59.1 | Low | 75.4 | Confident | 113 Ų | 113 | 53.8 Ų | 53.8 | 79% | 0.79 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -14.3 | 174.8 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 186 | D | 66.8 | Low | 75.4 | Confident | 127 Ų | 127 | 59.5 Ų | 59.5 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -1.1 | -171.4 | -64.2 | -11.8 | 0 | 0 | 0 | 114.1 | S184 T188 | S184-D186 PolarHBondContact O-N 2.92Å; D186-T188 VanDerWaalsContact C-N 3.34Å; D186-T188 PolarHBondContact O-N 2.89Å |
| 187 | I | 71.4 | Confident | 75.6 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 16% | 0.159 | 35% | 0.347 | C | S | . | . | trans | -73.3 | 87.5 | 177 | -50.2 | -177.9 | 0 | 0 | 0 | 110.3 | V175 P183 S184 L191 S192 F195 | V175-I187 HydrophobicContact CG2-CG1 4.47Å; P183-I187 HydrophobicContact CB-CD1 4.46Å; S184-I187 PolarHBondContact O-N 3.23Å; S184-I187 WeakPolarHBondContact OG-CG1 3.43Å; I187-L191 HydrophobicContact CG2-CB 4.21Å; I187-S192 VanDerWaalsContact CG2-CA 3.48Å; I187-F195 HydrophobicContact CD1-CB 4.18Å; I187-F195 HydrophobicContact CD1-CD1 4.45Å; I187-F195 HydrophobicContact CD1-CD2 3.59Å; I187-F195 HydrophobicContact CD1-CE2 4.05Å; I187-F195 HydrophobicContact CD1-CG 3.81Å; I187-F195 HydrophobicContact CG2-CB 4.25Å | ||
| 188 | T | 78.2 | Confident | 75.9 | Confident | 80 Ų | 80 | 57.7 Ų | 57.7 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | trans | -117.2 | 162.3 | 177.4 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | R165 D186 | R165-T188 PolarHBondContact NH2-O 3.07Å; R165-T188 PolarHBondContact NH2-OG1 3.01Å; D186-T188 VanDerWaalsContact C-N 3.34Å; D186-T188 PolarHBondContact O-N 2.89Å | ||
| 189 | G | 80.4 | Confident | 76.2 | Confident | 37 Ų | 37 | 58.2 Ų | 58.2 | 38% | 0.381 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | -139.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L191 S192 | G189-L191 VanDerWaalsContact C-N 3.26Å; G189-L191 PolarHBondContact O-N 2.84Å; G189-S192 WeakPolarHBondContact O-CB 3.49Å; G189-S192 PolarHBondContact O-N 3.41Å; G189-S192 PolarHBondContact O-OG 3.42Å |
| 190 | N | 85.4 | Confident | 76.9 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.011 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -72.9 | -15.2 | -176.4 | -69.2 | -47.6 | 0 | 0 | 0 | 114.3 | I134 K138 F157 V161 E164 S192 F193 L194 | I134-N190 WeakPolarHBondContact CG1-OD1 3.29Å; K138-N190 WeakPolarHBondContact CE-OD1 3.48Å; K138-N190 PolarHBondContact NZ-OD1 3.14Å; F157-N190 HydrophobicContact CE2-CB 4.27Å; F157-N190 HydrophobicContact CZ-CB 3.92Å; V161-N190 HydrophobicContact CG2-CB 4Å; E164-N190 VanDerWaalsContact OE2-CB 3.28Å; E164-N190 WeakPolarHBondContact OE2-CB 3.24Å; E164-N190 PolarHBondContact OE2-ND2 3.28Å; N190-S192 VanDerWaalsContact C-N 3.27Å; N190-S192 PolarHBondContact O-N 2.84Å; N190-F193 WeakPolarHBondContact O-CB 3.46Å; N190-F193 PolarHBondContact O-N 2.81Å; N190-L194 PolarHBondContact O-N 3.24Å |
| 191 | L | 86.1 | Confident | 77.5 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -31.2 | 171.7 | -66.8 | 179 | 0 | 0 | 0 | 112.1 | V161 E171 I172 V175 I187 G189 F193 L194 F195 | V161-L191 HydrophobicContact CG1-CD2 4.26Å; E171-L191 HydrophobicContact CB-CD1 4.02Å; I172-L191 HydrophobicContact CG1-CD2 3.95Å; V175-L191 HydrophobicContact CG2-CB 4.08Å; V175-L191 HydrophobicContact CG2-CD1 4.26Å; V175-L191 HydrophobicContact CG2-CD2 4.29Å; V175-L191 HydrophobicContact CG2-CG 4.44Å; I187-L191 HydrophobicContact CG2-CB 4.21Å; G189-L191 VanDerWaalsContact C-N 3.26Å; G189-L191 PolarHBondContact O-N 2.84Å; L191-F193 PolarHBondContact O-N 2.88Å; L191-L194 HydrophobicContact CD2-CD1 4.22Å; L191-L194 PolarHBondContact O-N 2.88Å; L191-L194 VanDerWaalsContact O-N 3.11Å; L191-F195 PolarHBondContact O-N 3.36Å |
| 192 | S | 85.4 | Confident | 78.5 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.1 | -35.7 | 175 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | I187 G189 N190 F195 Q196 | I187-S192 VanDerWaalsContact CG2-CA 3.48Å; G189-S192 WeakPolarHBondContact O-CB 3.49Å; G189-S192 PolarHBondContact O-N 3.41Å; G189-S192 PolarHBondContact O-OG 3.42Å; N190-S192 VanDerWaalsContact C-N 3.27Å; N190-S192 PolarHBondContact O-N 2.84Å; S192-F195 PolarHBondContact O-N 3.45Å; S192-Q196 WeakPolarHBondContact O-CB 3.32Å; S192-Q196 VanDerWaalsContact O-CG 3.28Å; S192-Q196 WeakPolarHBondContact O-CG 3.35Å; S192-Q196 PolarHBondContact O-N 3.43Å |
| 193 | F | 89.8 | Confident | 79.7 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 7% | 0.066 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69 | -39.7 | 175.4 | 170.5 | -102.4 | 0 | 0 | 0 | 111.8 | K138 I141 S142 F157 N190 L191 Q196 L197 | K138-F193 HydrophobicContact CB-CD2 3.84Å; K138-F193 HydrophobicContact CB-CE1 4.36Å; K138-F193 HydrophobicContact CB-CE2 3.58Å; K138-F193 HydrophobicContact CB-CG 4.34Å; K138-F193 HydrophobicContact CB-CZ 3.85Å; K138-F193 HydrophobicContact CD-CB 3.95Å; K138-F193 HydrophobicContact CD-CD1 4.4Å; K138-F193 HydrophobicContact CD-CD2 3.79Å; K138-F193 HydrophobicContact CD-CE2 4.41Å; K138-F193 HydrophobicContact CD-CG 3.77Å; K138-F193 HydrophobicContact CG-CB 4.35Å; K138-F193 HydrophobicContact CG-CD1 3.86Å; K138-F193 HydrophobicContact CG-CD2 3.66Å; K138-F193 HydrophobicContact CG-CE1 4Å; K138-F193 HydrophobicContact CG-CE2 3.83Å; K138-F193 HydrophobicContact CG-CG 3.66Å; K138-F193 HydrophobicContact CG-CZ 3.99Å; K138-F193 WeakPolarHBondContact O-CZ 3.36Å; I141-F193 HydrophobicContact CB-CZ 4.29Å; I141-F193 HydrophobicContact CG2-CE1 4.33Å; I141-F193 HydrophobicContact CG2-CZ 4.22Å; S142-F193 VanDerWaalsContact OG-CE2 3.3Å; S142-F193 WeakPolarHBondContact OG-CE2 3.24Å; S142-F193 WeakPolarHBondContact OG-CZ 3.37Å; F157-F193 AromaticContact CE1-CD1 3.91Å; F157-F193 HydrophobicContact CE1-CD1 3.91Å; F157-F193 HydrophobicContact CE1-CE1 4.31Å; F157-F193 AromaticContact CE2-CD1 3.92Å; F157-F193 HydrophobicContact CE2-CD1 3.92Å; F157-F193 HydrophobicContact CE2-CE1 4.36Å; F157-F193 HydrophobicContact CZ-CB 4.47Å; F157-F193 AromaticContact CZ-CD1 3.43Å; F157-F193 HydrophobicContact CZ-CD1 3.43Å; F157-F193 VanDerWaalsContact CZ-CD1 3.43Å; F157-F193 HydrophobicContact CZ-CE1 4.1Å; F157-F193 HydrophobicContact CZ-CG 4.33Å; N190-F193 WeakPolarHBondContact O-CB 3.46Å; N190-F193 PolarHBondContact O-N 2.81Å; L191-F193 PolarHBondContact O-N 2.88Å; F193-Q196 PolarHBondContact O-N 3.09Å; F193-L197 HydrophobicContact CE1-CD2 4.06Å; F193-L197 HydrophobicContact CZ-CB 4.38Å; F193-L197 HydrophobicContact CZ-CD1 4.49Å; F193-L197 HydrophobicContact CZ-CD2 4.15Å; F193-L197 WeakPolarHBondContact O-CB 3.32Å; F193-L197 PolarHBondContact O-N 3Å |
| 194 | L | 88.6 | Confident | 81 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 175.5 | -70.1 | 177.8 | 0 | 0 | 0 | 111 | F157 I172 V175 N190 L191 Q196 L197 F198 I209 | F157-L194 HydrophobicContact CD1-CD2 4.42Å; F157-L194 HydrophobicContact CE1-CD1 4.36Å; F157-L194 HydrophobicContact CE1-CD2 3.75Å; F157-L194 HydrophobicContact CE1-CG 3.92Å; I172-L194 HydrophobicContact CB-CD1 4.47Å; I172-L194 HydrophobicContact CD1-CD1 4.39Å; I172-L194 HydrophobicContact CG1-CD1 3.82Å; I172-L194 HydrophobicContact CG2-CD1 4.1Å; V175-L194 HydrophobicContact CG1-CB 4.19Å; N190-L194 PolarHBondContact O-N 3.24Å; L191-L194 HydrophobicContact CD2-CD1 4.22Å; L191-L194 PolarHBondContact O-N 2.88Å; L191-L194 VanDerWaalsContact O-N 3.11Å; L194-Q196 PolarHBondContact O-N 3.31Å; L194-L197 PolarHBondContact O-N 3.45Å; L194-F198 WeakPolarHBondContact O-CB 3.35Å; L194-F198 WeakPolarHBondContact O-CD2 3.34Å; L194-F198 PolarHBondContact O-N 3.14Å; L194-I209 HydrophobicContact CD2-CD1 4.23Å; L194-I209 HydrophobicContact CD2-CG1 4.31Å; L194-I209 HydrophobicContact CD2-CG2 4.01Å |
| 195 | F | 87.5 | Confident | 82.2 | Confident | 32 Ų | 32 | 50.3 Ų | 50.3 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55 | -51.3 | 174.3 | -175 | -100 | 0 | 0 | 0 | 111.1 | V175 Q178 P183 I187 L191 S192 F198 H199 | V175-F195 HydrophobicContact CG1-CB 3.79Å; V175-F195 HydrophobicContact CG1-CD2 4.43Å; Q178-F195 HydrophobicContact CB-CE2 4.08Å; P183-F195 HydrophobicContact CB-CZ 4.18Å; I187-F195 HydrophobicContact CD1-CB 4.18Å; I187-F195 HydrophobicContact CD1-CD1 4.45Å; I187-F195 HydrophobicContact CD1-CD2 3.59Å; I187-F195 HydrophobicContact CD1-CE2 4.05Å; I187-F195 HydrophobicContact CD1-CG 3.81Å; I187-F195 HydrophobicContact CG2-CB 4.25Å; L191-F195 PolarHBondContact O-N 3.36Å; S192-F195 PolarHBondContact O-N 3.45Å; F195-F198 PolarHBondContact O-N 2.85Å; F195-H199 AromaticContact CD2-CE1 3.65Å; F195-H199 AromaticContact CD2-ND1 3.78Å; F195-H199 AromaticContact CE2-CE1 3.28Å; F195-H199 WeakPolarHBondContact CE2-CE1 3.36Å; F195-H199 AromaticContact CE2-ND1 3.71Å; F195-H199 AromaticContact CZ-CE1 3.67Å; F195-H199 AromaticContact CZ-ND1 3.86Å; F195-H199 PolarHBondContact O-N 3.47Å; F195-H199 PolarHBondContact O-ND1 3.01Å |
| 196 | Q | 86.6 | Confident | 83.7 | Confident | 126 Ų | 126 | 45.3 Ų | 45.3 | 59% | 0.589 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.1 | -43.9 | 178.3 | -72.6 | 174.2 | -1.1 | 0 | 0 | 113 | S192 F193 L194 F198 H199 S200 | S192-Q196 WeakPolarHBondContact O-CB 3.32Å; S192-Q196 VanDerWaalsContact O-CG 3.28Å; S192-Q196 WeakPolarHBondContact O-CG 3.35Å; S192-Q196 PolarHBondContact O-N 3.43Å; F193-Q196 PolarHBondContact O-N 3.09Å; L194-Q196 PolarHBondContact O-N 3.31Å; Q196-F198 VanDerWaalsContact C-N 3.33Å; Q196-F198 PolarHBondContact O-N 3.18Å; Q196-H199 CarbonylContact O-C 3.43Å; Q196-H199 PolarHBondContact O-N 2.86Å; Q196-S200 VanDerWaalsContact O-CB 3.28Å; Q196-S200 WeakPolarHBondContact O-CB 3.36Å; Q196-S200 PolarHBondContact O-N 2.9Å |
| 197 | L | 87.5 | Confident | 84.9 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | -179.4 | 179.6 | 66.2 | 0 | 0 | 0 | 110.6 | I141 F193 L194 H199 S200 K202 Q206 I209 | I141-L197 HydrophobicContact CG2-CD2 3.88Å; F193-L197 HydrophobicContact CE1-CD2 4.06Å; F193-L197 HydrophobicContact CZ-CB 4.38Å; F193-L197 HydrophobicContact CZ-CD1 4.49Å; F193-L197 HydrophobicContact CZ-CD2 4.15Å; F193-L197 WeakPolarHBondContact O-CB 3.32Å; F193-L197 PolarHBondContact O-N 3Å; L194-L197 PolarHBondContact O-N 3.45Å; L197-H199 VanDerWaalsContact C-N 3.34Å; L197-S200 PolarHBondContact O-N 2.97Å; L197-S200 PolarHBondContact O-OG 3.35Å; L197-K202 HydrophobicContact CD1-CB 4.12Å; L197-K202 HydrophobicContact CD1-CD 4.49Å; L197-Q206 HydrophobicContact CG-CG 4.29Å; L197-Q206 PolarHBondContact O-NE2 2.95Å; L197-I209 HydrophobicContact CD2-CG1 3.91Å |
| 198 | F | 86.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -74.9 | -20.5 | 178 | -81.5 | -99.2 | 0 | 0 | 0 | 112.9 | L176 L194 F195 Q196 Q206 I209 L210 M239 R252 | L176-F198 HydrophobicContact CD1-CZ 4.3Å; L176-F198 HydrophobicContact CD2-CB 4.19Å; L176-F198 HydrophobicContact CD2-CD1 3.66Å; L176-F198 HydrophobicContact CD2-CD2 3.21Å; L176-F198 HydrophobicContact CD2-CE1 3.71Å; L176-F198 HydrophobicContact CD2-CE2 3.29Å; L176-F198 HydrophobicContact CD2-CG 3.39Å; L176-F198 HydrophobicContact CD2-CZ 3.53Å; L194-F198 WeakPolarHBondContact O-CB 3.35Å; L194-F198 WeakPolarHBondContact O-CD2 3.34Å; L194-F198 PolarHBondContact O-N 3.14Å; F195-F198 PolarHBondContact O-N 2.85Å; Q196-F198 VanDerWaalsContact C-N 3.33Å; Q196-F198 PolarHBondContact O-N 3.18Å; F198-Q206 HydrophobicContact CD1-CB 4.4Å; F198-Q206 HydrophobicContact CD1-CG 4.17Å; F198-Q206 HydrophobicContact CD2-CG 4.44Å; F198-Q206 HydrophobicContact CE1-CB 4.09Å; F198-Q206 HydrophobicContact CE1-CG 4.33Å; F198-Q206 HydrophobicContact CG-CG 4.25Å; F198-Q206 HydrophobicContact CZ-CB 4.21Å; F198-I209 HydrophobicContact CE2-CB 4.19Å; F198-I209 HydrophobicContact CE2-CG2 3.85Å; F198-I209 HydrophobicContact CZ-CB 4.35Å; F198-I209 HydrophobicContact CZ-CG2 4.08Å; F198-L210 HydrophobicContact CE1-CD1 4.39Å; F198-L210 HydrophobicContact CE1-CD2 4.2Å; F198-L210 HydrophobicContact CE1-CG 4.2Å; F198-L210 HydrophobicContact CZ-CD2 4.11Å; F198-L210 HydrophobicContact CZ-CG 4.05Å; F198-M239 HydrophobicContact CD1-CE 3.42Å; F198-M239 VanDerWaalsContact CD1-CE 3.42Å; F198-M239 HydrophobicContact CE1-CE 3.61Å; F198-R252 PolarHBondContact O-NH1 2.93Å; F198-R252 PolarHBondContact O-NH2 3.2Å |
| 199 | H | 83.2 | Confident | 86.5 | Confident | 55 Ų | 55 | 34 Ų | 34 | 26% | 0.255 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -92 | 0.8 | 169.1 | -68.7 | 82.7 | 0 | 0 | 0 | 113.4 | Q178 E180 F195 Q196 L197 | Q178-H199 PolarHBondContact O-CE1 3.32Å; Q178-H199 PolarHBondContact O-NE2 2.81Å; E180-H199 PolarHBondContact N-NE2 3.22Å; F195-H199 AromaticContact CD2-CE1 3.65Å; F195-H199 AromaticContact CD2-ND1 3.78Å; F195-H199 AromaticContact CE2-CE1 3.28Å; F195-H199 WeakPolarHBondContact CE2-CE1 3.36Å; F195-H199 AromaticContact CE2-ND1 3.71Å; F195-H199 AromaticContact CZ-CE1 3.67Å; F195-H199 AromaticContact CZ-ND1 3.86Å; F195-H199 PolarHBondContact O-N 3.47Å; F195-H199 PolarHBondContact O-ND1 3.01Å; Q196-H199 CarbonylContact O-C 3.43Å; Q196-H199 PolarHBondContact O-N 2.86Å; L197-H199 VanDerWaalsContact C-N 3.34Å |
| 200 | S | 82.3 | Confident | 87 | Confident | 34 Ų | 34 | 32.2 Ų | 32.2 | 24% | 0.238 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -94.3 | 159.5 | 177 | 76.7 | 0 | 0 | 0 | 0 | 113 | Q196 L197 K202 Q206 | Q196-S200 VanDerWaalsContact O-CB 3.28Å; Q196-S200 WeakPolarHBondContact O-CB 3.36Å; Q196-S200 PolarHBondContact O-N 2.9Å; L197-S200 PolarHBondContact O-N 2.97Å; L197-S200 PolarHBondContact O-OG 3.35Å; S200-K202 PolarHBondContact O-N 2.71Å; S200-K202 WeakPolarHBondContact OG-CB 3.49Å; S200-Q206 PolarHBondContact O-NE2 3.48Å |
| 201 | N | 79 | Confident | 87.3 | Confident | 172 Ų | 172 | 33 Ų | 33 | 92% | 0.92 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -78.8 | 51.9 | 171.9 | -76.3 | -21.4 | 0 | 0 | 0 | 112.6 | ||
| 202 | K | 84 | Confident | 87.5 | Confident | 91 Ų | 91 | 32.8 Ų | 32.8 | 40% | 0.396 | 17% | 0.169 | S | C | . | . | trans | -125.7 | 73.7 | -176.1 | -65 | -175.8 | 169.1 | -161.4 | 0 | 112.5 | S142 L197 S200 Q204 G205 Q206 | S142-K202 VanDerWaalsContact O-CD 3.25Å; S142-K202 WeakPolarHBondContact O-CD 3.29Å; S142-K202 VanDerWaalsContact O-CE 3.3Å; S142-K202 WeakPolarHBondContact O-CE 3.44Å; S142-K202 PolarHBondContact O-NZ 2.71Å; L197-K202 HydrophobicContact CD1-CB 4.12Å; L197-K202 HydrophobicContact CD1-CD 4.49Å; S200-K202 PolarHBondContact O-N 2.71Å; S200-K202 WeakPolarHBondContact OG-CB 3.49Å; K202-Q204 PolarHBondContact O-N 3.01Å; K202-G205 PolarHBondContact O-N 3.24Å; K202-Q206 WeakPolarHBondContact O-CG 3.4Å; K202-Q206 PolarHBondContact O-N 3.41Å | ||
| 203 | P | 84.3 | Confident | 87.7 | Confident | 39 Ų | 39 | 30.9 Ų | 30.9 | 25% | 0.253 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.9 | -35.5 | -171 | 24.2 | -34.3 | 0 | 0 | 0 | 114.2 | Q206 L207 F254 | P203-Q206 PolarHBondContact O-N 2.91Å; P203-L207 WeakPolarHBondContact O-CB 3.42Å; P203-L207 WeakPolarHBondContact O-CG 3.4Å; P203-L207 PolarHBondContact O-N 2.94Å; P203-F254 HydrophobicContact CB-CD1 3.41Å; P203-F254 VanDerWaalsContact CB-CD1 3.41Å; P203-F254 HydrophobicContact CB-CE1 3.54Å |
| 204 | Q | 87 | Confident | 87.7 | Confident | 49 Ų | 49 | 30.3 Ų | 30.3 | 23% | 0.229 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -49.3 | -178.9 | -63.5 | 174.6 | -4.2 | 0 | 0 | 111.1 | L150 K202 Q206 L207 A208 D258 V260 | L150-Q204 HydrophobicContact CD2-CB 4.09Å; K202-Q204 PolarHBondContact O-N 3.01Å; Q204-Q206 PolarHBondContact O-N 2.83Å; Q204-L207 PolarHBondContact O-N 3.49Å; Q204-A208 WeakPolarHBondContact O-CB 3.34Å; Q204-A208 PolarHBondContact O-N 3.18Å; Q204-D258 PolarHBondContact NE2-OD2 2.99Å; Q204-V260 HydrophobicContact CB-CG1 4.49Å; Q204-V260 HydrophobicContact CG-CB 4.41Å; Q204-V260 HydrophobicContact CG-CG1 3.97Å |
| 205 | G | 88.2 | Confident | 87.4 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I141 K202 A208 I209 | I141-G205 VanDerWaalsContact O-CA 3.23Å; I141-G205 WeakPolarHBondContact O-CA 3.4Å; K202-G205 PolarHBondContact O-N 3.24Å; G205-A208 PolarHBondContact O-N 2.87Å; G205-I209 WeakPolarHBondContact O-CG1 3.05Å; G205-I209 PolarHBondContact O-N 2.74Å |
| 206 | Q | 90.1 | Very high | 87.2 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -51.6 | 176.1 | -66.9 | 167.2 | 7.3 | 0 | 0 | 111.6 | L197 F198 S200 K202 P203 Q204 A208 I209 L210 R252 | L197-Q206 HydrophobicContact CG-CG 4.29Å; L197-Q206 PolarHBondContact O-NE2 2.95Å; F198-Q206 HydrophobicContact CD1-CB 4.4Å; F198-Q206 HydrophobicContact CD1-CG 4.17Å; F198-Q206 HydrophobicContact CD2-CG 4.44Å; F198-Q206 HydrophobicContact CE1-CB 4.09Å; F198-Q206 HydrophobicContact CE1-CG 4.33Å; F198-Q206 HydrophobicContact CG-CG 4.25Å; F198-Q206 HydrophobicContact CZ-CB 4.21Å; S200-Q206 PolarHBondContact O-NE2 3.48Å; K202-Q206 WeakPolarHBondContact O-CG 3.4Å; K202-Q206 PolarHBondContact O-N 3.41Å; P203-Q206 PolarHBondContact O-N 2.91Å; Q204-Q206 PolarHBondContact O-N 2.83Å; Q206-A208 VanDerWaalsContact C-N 3.34Å; Q206-A208 PolarHBondContact O-N 3.4Å; Q206-I209 PolarHBondContact O-N 3.45Å; Q206-L210 WeakPolarHBondContact O-CG 3.37Å; Q206-L210 PolarHBondContact O-N 3.13Å; Q206-R252 VanDerWaalsContact NE2-NH1 3.13Å |
| 207 | L | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.5 | -34.4 | 180 | -69.7 | 168.3 | 0 | 0 | 0 | 112.4 | P203 Q204 L210 L211 A240 F254 T261 L264 Q265 I268 | P203-L207 WeakPolarHBondContact O-CB 3.42Å; P203-L207 WeakPolarHBondContact O-CG 3.4Å; P203-L207 PolarHBondContact O-N 2.94Å; Q204-L207 PolarHBondContact O-N 3.49Å; L207-L210 HydrophobicContact CD2-CD1 4.41Å; L207-L210 PolarHBondContact O-N 2.98Å; L207-L211 WeakPolarHBondContact O-CB 3.31Å; L207-L211 PolarHBondContact O-N 3.28Å; L207-A240 HydrophobicContact CD2-CB 4.11Å; L207-F254 HydrophobicContact CD1-CD1 3.99Å; L207-F254 HydrophobicContact CD1-CE1 3.97Å; L207-F254 HydrophobicContact CD2-CE1 4.2Å; L207-F254 HydrophobicContact CD2-CE2 4.3Å; L207-F254 HydrophobicContact CD2-CZ 3.95Å; L207-F254 HydrophobicContact CG-CD1 4.4Å; L207-F254 HydrophobicContact CG-CE1 3.88Å; L207-F254 HydrophobicContact CG-CZ 4.11Å; L207-T261 HydrophobicContact CD1-CG2 3.55Å; L207-L264 HydrophobicContact CB-CB 3.85Å; L207-L264 HydrophobicContact CB-CD1 4.02Å; L207-L264 HydrophobicContact CD1-CB 4.35Å; L207-Q265 HydrophobicContact CD1-CG 3.76Å; L207-Q265 HydrophobicContact CD2-CG 3.8Å; L207-Q265 HydrophobicContact CG-CG 4.45Å; L207-I268 HydrophobicContact CB-CD1 4.26Å; L207-I268 HydrophobicContact CD2-CD1 3.84Å; L207-I268 WeakPolarHBondContact O-CD1 3.49Å |
| 208 | A | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L150 A154 Q204 G205 Q206 L211 A212 | L150-A208 HydrophobicContact CD2-CB 3.53Å; L150-A208 HydrophobicContact CG-CB 3.62Å; A154-A208 HydrophobicContact CB-CB 3.79Å; A154-A208 WeakPolarHBondContact CB-O 3.47Å; Q204-A208 WeakPolarHBondContact O-CB 3.34Å; Q204-A208 PolarHBondContact O-N 3.18Å; G205-A208 PolarHBondContact O-N 2.87Å; Q206-A208 VanDerWaalsContact C-N 3.34Å; Q206-A208 PolarHBondContact O-N 3.4Å; A208-L211 PolarHBondContact O-N 3.42Å; A208-A212 WeakPolarHBondContact O-CB 3.39Å; A208-A212 PolarHBondContact O-N 2.87Å |
| 209 | I | 93.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 173.6 | -70.4 | -67.4 | 0 | 0 | 0 | 111 | I141 A154 F157 I158 L194 L197 F198 G205 Q206 L211 A212 L213 | I141-I209 HydrophobicContact CD1-CD1 4.43Å; I141-I209 HydrophobicContact CG2-CD1 4.41Å; I141-I209 HydrophobicContact CG2-CG1 4.23Å; A154-I209 HydrophobicContact CB-CD1 4.01Å; A154-I209 HydrophobicContact CB-CG1 4.48Å; F157-I209 HydrophobicContact CD1-CD1 3.91Å; I158-I209 HydrophobicContact CD1-CD1 4.26Å; I158-I209 HydrophobicContact CD1-CG2 4.09Å; I158-I209 HydrophobicContact CG1-CD1 4.26Å; L194-I209 HydrophobicContact CD2-CD1 4.23Å; L194-I209 HydrophobicContact CD2-CG1 4.31Å; L194-I209 HydrophobicContact CD2-CG2 4.01Å; L197-I209 HydrophobicContact CD2-CG1 3.91Å; F198-I209 HydrophobicContact CE2-CB 4.19Å; F198-I209 HydrophobicContact CE2-CG2 3.85Å; F198-I209 HydrophobicContact CZ-CB 4.35Å; F198-I209 HydrophobicContact CZ-CG2 4.08Å; G205-I209 WeakPolarHBondContact O-CG1 3.05Å; G205-I209 PolarHBondContact O-N 2.74Å; Q206-I209 PolarHBondContact O-N 3.45Å; I209-L211 PolarHBondContact O-N 2.91Å; I209-A212 WeakPolarHBondContact O-CB 3.45Å; I209-A212 PolarHBondContact O-N 3.34Å; I209-L213 HydrophobicContact CG2-CD1 4.21Å; I209-L213 WeakPolarHBondContact O-CG 3.38Å; I209-L213 PolarHBondContact O-N 3.3Å |
| 210 | L | 91.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 175.4 | -68.2 | 174.9 | 0 | 0 | 0 | 111.2 | L176 F198 Q206 L207 A212 L213 V214 I236 M239 A240 I268 | L176-L210 HydrophobicContact CD1-CD2 4.42Å; F198-L210 HydrophobicContact CE1-CD1 4.39Å; F198-L210 HydrophobicContact CE1-CD2 4.2Å; F198-L210 HydrophobicContact CE1-CG 4.2Å; F198-L210 HydrophobicContact CZ-CD2 4.11Å; F198-L210 HydrophobicContact CZ-CG 4.05Å; Q206-L210 WeakPolarHBondContact O-CG 3.37Å; Q206-L210 PolarHBondContact O-N 3.13Å; L207-L210 HydrophobicContact CD2-CD1 4.41Å; L207-L210 PolarHBondContact O-N 2.98Å; L210-A212 VanDerWaalsContact C-N 3.32Å; L210-A212 PolarHBondContact O-N 2.98Å; L210-L213 WeakPolarHBondContact O-CB 3.37Å; L210-L213 PolarHBondContact O-N 2.92Å; L210-V214 WeakPolarHBondContact O-CG2 3.36Å; L210-V214 PolarHBondContact O-N 3.3Å; L210-I236 HydrophobicContact CD2-CG2 4.39Å; L210-M239 HydrophobicContact CD1-CB 3.9Å; L210-M239 HydrophobicContact CD2-CB 3.99Å; L210-A240 HydrophobicContact CD1-CB 4.08Å; L210-I268 HydrophobicContact CB-CD1 4.09Å |
| 211 | L | 92.1 | Very high | 85.8 | Confident | 18 Ų | 18 | 37.4 Ų | 37.4 | 9% | 0.094 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 177.1 | -177.1 | 60.7 | 0 | 0 | 0 | 112.3 | I151 L207 A208 I209 V214 G215 L264 K267 I268 | I151-L211 HydrophobicContact CD1-CD2 3.83Å; I151-L211 HydrophobicContact CG1-CD2 4.03Å; L207-L211 WeakPolarHBondContact O-CB 3.31Å; L207-L211 PolarHBondContact O-N 3.28Å; A208-L211 PolarHBondContact O-N 3.42Å; I209-L211 PolarHBondContact O-N 2.91Å; L211-V214 PolarHBondContact O-N 3.04Å; L211-G215 PolarHBondContact O-N 3.26Å; L211-L264 HydrophobicContact CD2-CD2 3.96Å; L211-K267 HydrophobicContact CD1-CB 4.07Å; L211-K267 HydrophobicContact CD2-CB 4Å; L211-K267 HydrophobicContact CD2-CD 4.21Å; L211-I268 HydrophobicContact CB-CD1 4.21Å; L211-I268 HydrophobicContact CB-CG1 3.72Å; L211-I268 HydrophobicContact CD1-CG1 3.78Å; L211-I268 HydrophobicContact CG-CG1 4.28Å |
| 212 | A | 89.9 | Confident | 86 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A154 I155 I158 A208 I209 L210 G215 I216 | A154-A212 HydrophobicContact CB-CB 3.99Å; I155-A212 HydrophobicContact CB-CB 4.39Å; I155-A212 HydrophobicContact CG1-CB 3.72Å; I158-A212 HydrophobicContact CG1-CB 4.15Å; A208-A212 WeakPolarHBondContact O-CB 3.39Å; A208-A212 PolarHBondContact O-N 2.87Å; I209-A212 WeakPolarHBondContact O-CB 3.45Å; I209-A212 PolarHBondContact O-N 3.34Å; L210-A212 VanDerWaalsContact C-N 3.32Å; L210-A212 PolarHBondContact O-N 2.98Å; A212-G215 PolarHBondContact O-N 3.35Å; A212-G215 VanDerWaalsContact O-N 3.14Å; A212-I216 WeakPolarHBondContact O-CG1 3.11Å; A212-I216 PolarHBondContact O-N 3.43Å |
| 213 | L | 90.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 173 | -75.4 | 168.1 | 0 | 0 | 0 | 111.2 | I158 I172 L176 I209 L210 G215 I216 I217 | I158-L213 HydrophobicContact CD1-CD2 4.1Å; I158-L213 HydrophobicContact CD1-CG 4.19Å; I158-L213 HydrophobicContact CG2-CD2 4.09Å; I172-L213 HydrophobicContact CD1-CD2 4.3Å; I172-L213 HydrophobicContact CG2-CD1 4.02Å; I172-L213 HydrophobicContact CG2-CD2 4.3Å; L176-L213 HydrophobicContact CD1-CD1 4.18Å; I209-L213 HydrophobicContact CG2-CD1 4.21Å; I209-L213 WeakPolarHBondContact O-CG 3.38Å; I209-L213 PolarHBondContact O-N 3.3Å; L210-L213 WeakPolarHBondContact O-CB 3.37Å; L210-L213 PolarHBondContact O-N 2.92Å; L213-G215 PolarHBondContact O-N 2.98Å; L213-I216 PolarHBondContact O-N 3.36Å; L213-I216 VanDerWaalsContact O-N 3.11Å; L213-I217 HydrophobicContact CB-CD1 4.05Å; L213-I217 WeakPolarHBondContact O-CB 3.36Å; L213-I217 WeakPolarHBondContact O-CD1 3.48Å; L213-I217 WeakPolarHBondContact O-CG1 3.34Å; L213-I217 PolarHBondContact O-N 3.31Å |
| 214 | V | 88.7 | Confident | 85.5 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55 | -36.6 | 175.3 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | L210 L211 W222 I236 I268 K275 | L210-V214 WeakPolarHBondContact O-CG2 3.36Å; L210-V214 PolarHBondContact O-N 3.3Å; L211-V214 PolarHBondContact O-N 3.04Å; V214-W222 HydrophobicContact CB-CH2 4.15Å; V214-W222 HydrophobicContact CB-CZ3 4.12Å; V214-W222 HydrophobicContact CG1-CH2 3.76Å; V214-W222 HydrophobicContact CG1-CZ3 4.04Å; V214-W222 HydrophobicContact CG2-CH2 3.66Å; V214-W222 HydrophobicContact CG2-CZ3 3.84Å; V214-I236 HydrophobicContact CG2-CG2 3.72Å; V214-I268 HydrophobicContact CG2-CG2 4.41Å; V214-K275 PolarHBondContact O-NZ 3.49Å |
| 215 | G | 83.2 | Confident | 85 | Confident | 59 Ų | 59 | 31 Ų | 31 | 61% | 0.608 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -70.1 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L211 A212 L213 | L211-G215 PolarHBondContact O-N 3.26Å; A212-G215 PolarHBondContact O-N 3.35Å; A212-G215 VanDerWaalsContact O-N 3.14Å; L213-G215 PolarHBondContact O-N 2.98Å |
| 216 | I | 82.7 | Confident | 84.4 | Confident | 36 Ų | 36 | 31.5 Ų | 31.5 | 19% | 0.185 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -87.7 | -31.3 | -170.4 | -65.4 | 165.7 | 0 | 0 | 0 | 112.7 | I155 I158 A212 L213 S218 | I155-I216 HydrophobicContact CG2-CD1 4.3Å; I158-I216 HydrophobicContact CB-CD1 3.71Å; I158-I216 HydrophobicContact CG2-CD1 3.45Å; I158-I216 VanDerWaalsContact CG2-CD1 3.45Å; A212-I216 WeakPolarHBondContact O-CG1 3.11Å; A212-I216 PolarHBondContact O-N 3.43Å; L213-I216 PolarHBondContact O-N 3.36Å; L213-I216 VanDerWaalsContact O-N 3.11Å; I216-S218 PolarHBondContact O-N 3.03Å |
| 217 | I | 85.6 | Confident | 83.5 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -60.3 | 128 | -178.3 | -68.9 | 164.3 | 0 | 0 | 0 | 109.9 | L169 L213 D221 W222 I232 I236 K275 | L169-I217 HydrophobicContact CD1-CD1 3.89Å; L169-I217 HydrophobicContact CD1-CG1 3.77Å; L169-I217 HydrophobicContact CD2-CG1 4.47Å; L213-I217 HydrophobicContact CB-CD1 4.05Å; L213-I217 WeakPolarHBondContact O-CB 3.36Å; L213-I217 WeakPolarHBondContact O-CD1 3.48Å; L213-I217 WeakPolarHBondContact O-CG1 3.34Å; L213-I217 PolarHBondContact O-N 3.31Å; I217-D221 HydrophobicContact CG2-CB 3.95Å; I217-W222 HydrophobicContact CB-CE3 4.11Å; I217-W222 HydrophobicContact CD1-CE3 4.25Å; I217-W222 HydrophobicContact CD1-CZ3 4.29Å; I217-W222 HydrophobicContact CG2-CB 3.95Å; I217-W222 HydrophobicContact CG2-CE3 3.89Å; I217-I232 HydrophobicContact CD1-CG2 4.15Å; I217-I236 HydrophobicContact CD1-CD1 3.55Å; I217-K275 PolarHBondContact O-NZ 3.23Å |
| 218 | S | 80.9 | Confident | 82.3 | Confident | 42 Ų | 42 | 43.4 Ų | 43.4 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | trans | -62.9 | 154 | 177.4 | 76.9 | 0 | 0 | 0 | 0 | 110.5 | I216 T220 D221 W222 | I216-S218 PolarHBondContact O-N 3.03Å; S218-T220 PolarHBondContact O-N 3.46Å; S218-T220 PolarHBondContact OG-OG1 3Å; S218-D221 PolarHBondContact O-N 3.43Å; S218-D221 WeakPolarHBondContact OG-CB 3.5Å; S218-D221 PolarHBondContact OG-N 2.84Å; S218-D221 VanDerWaalsContact OG-N 3.08Å; S218-D221 PolarHBondContact OG-OD2 3.34Å; S218-W222 VanDerWaalsContact O-CB 3.29Å; S218-W222 WeakPolarHBondContact O-CB 3.36Å; S218-W222 PolarHBondContact O-N 2.63Å | ||
| 219 | T | 73.4 | Confident | 81.1 | Confident | 102 Ų | 102 | 45.7 Ų | 45.7 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27 | 176.7 | 34.4 | 0 | 0 | 0 | 0 | 112.9 | F223 | T219-F223 WeakPolarHBondContact O-CD2 3.3Š|
| 220 | T | 75.8 | Confident | 80.1 | Confident | 101 Ų | 101 | 46 Ų | 46 | 62% | 0.62 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -48.8 | 176.3 | 45.6 | 0 | 0 | 0 | 0 | 111.5 | S218 W222 F223 | S218-T220 PolarHBondContact O-N 3.46Å; S218-T220 PolarHBondContact OG-OG1 3Å; T220-W222 VanDerWaalsContact C-N 3.3Å; T220-W222 PolarHBondContact O-N 2.65Å; T220-F223 PolarHBondContact O-N 3.1Å |
| 221 | D | 81.7 | Confident | 79.5 | Confident | 59 Ų | 59 | 46 Ų | 46 | 32% | 0.316 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -69.4 | -31.9 | -178.2 | -57.6 | -36.2 | 0 | 0 | 0 | 111.6 | L169 I217 S218 F223 C224 I232 | L169-D221 HydrophobicContact CD2-CB 3.7Å; I217-D221 HydrophobicContact CG2-CB 3.95Å; S218-D221 PolarHBondContact O-N 3.43Å; S218-D221 WeakPolarHBondContact OG-CB 3.5Å; S218-D221 PolarHBondContact OG-N 2.84Å; S218-D221 VanDerWaalsContact OG-N 3.08Å; S218-D221 PolarHBondContact OG-OD2 3.34Å; D221-F223 PolarHBondContact O-N 3.16Å; D221-C224 WeakPolarHBondContact O-CB 3.38Å; D221-C224 PolarHBondContact O-N 3.28Å; D221-I232 WeakPolarHBondContact O-CD1 3.43Å |
| 222 | W | 81.6 | Confident | 79 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -52.6 | -32.6 | 179.1 | -174.2 | -103.3 | 0 | 0 | 0 | 113.8 | V214 I217 S218 T220 S233 I236 W272 K275 N276 | V214-W222 HydrophobicContact CB-CH2 4.15Å; V214-W222 HydrophobicContact CB-CZ3 4.12Å; V214-W222 HydrophobicContact CG1-CH2 3.76Å; V214-W222 HydrophobicContact CG1-CZ3 4.04Å; V214-W222 HydrophobicContact CG2-CH2 3.66Å; V214-W222 HydrophobicContact CG2-CZ3 3.84Å; I217-W222 HydrophobicContact CB-CE3 4.11Å; I217-W222 HydrophobicContact CD1-CE3 4.25Å; I217-W222 HydrophobicContact CD1-CZ3 4.29Å; I217-W222 HydrophobicContact CG2-CB 3.95Å; I217-W222 HydrophobicContact CG2-CE3 3.89Å; S218-W222 VanDerWaalsContact O-CB 3.29Å; S218-W222 WeakPolarHBondContact O-CB 3.36Å; S218-W222 PolarHBondContact O-N 2.63Å; T220-W222 VanDerWaalsContact C-N 3.3Å; T220-W222 PolarHBondContact O-N 2.65Å; W222-S233 PolarHBondContact O-N 3.45Å; W222-I236 HydrophobicContact CE3-CD1 4.43Å; W222-I236 HydrophobicContact CH2-CD1 4.25Å; W222-I236 HydrophobicContact CZ3-CD1 3.63Å; W222-W272 HydrophobicContact CZ2-CB 4.46Å; W222-W272 AromaticContact CZ2-CD1 3.77Å; W222-W272 HydrophobicContact CZ2-CG 4.43Å; W222-K275 HydrophobicContact CD2-CD 4.43Å; W222-N276 PolarHBondContact NE1-ND2 3Å; W222-N276 VanDerWaalsContact NE1-ND2 3.14Å; W222-N276 PolarHBondContact NE1-OD1 2.71Å |
| 223 | F | 77.8 | Confident | 78.7 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -101.3 | 0.8 | -179.3 | -64.2 | -70.8 | 0 | 0 | 0 | 114.2 | T219 T220 D221 N276 C281 F292 | T219-F223 WeakPolarHBondContact O-CD2 3.3Å; T220-F223 PolarHBondContact O-N 3.1Å; D221-F223 PolarHBondContact O-N 3.16Å; F223-N276 WeakPolarHBondContact CE1-OD1 3.36Å; F223-C281 HydrophobicContact CD2-CB 4.24Å; F223-C281 HydrophobicContact CE2-CB 4.26Å; F223-F292 HydrophobicContact CE1-CZ 4.44Å |
| 224 | C | 80.9 | Confident | 78.3 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -67.5 | 144.1 | 176.2 | -72.9 | 0 | 0 | 0 | 0 | 111.1 | D221 S231 I232 | D221-C224 WeakPolarHBondContact O-CB 3.38Å; D221-C224 PolarHBondContact O-N 3.28Å; C224-S231 CarbonylContact O-C 3.53Å; C224-S231 VanDerWaalsContact O-CA 3.31Å; C224-S231 WeakPolarHBondContact O-CA 3.32Å; C224-I232 HydrophobicContact CB-CD1 4.23Å; C224-I232 PolarHBondContact O-N 3.28Å |
| 225 | N | 76.3 | Confident | 78.1 | Confident | 123 Ų | 123 | 45.8 Ų | 45.8 | 66% | 0.658 | 27% | 0.269 | S | S | * | . | B | Isolated β-bridge | trans | -71.6 | 137.7 | 174.9 | -83.5 | -11.2 | 0 | 0 | 0 | 110.9 | G230 | N225-G230 CarbonylContact C-O 3.09Å; N225-G230 VanDerWaalsContact CA-O 3.28Å; N225-G230 WeakPolarHBondContact CA-O 3.41Å |
| 226 | Y | 75.1 | Confident | 78.2 | Confident | 13 Ų | 13 | 43 Ų | 43 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | trans | -127.7 | 115.1 | 177.6 | -177.4 | -105.6 | 0 | 0 | 0 | 110.7 | L173 D174 N177 N228 Y229 G230 I232 Y235 | L173-Y226 HydrophobicContact CB-CD2 4.14Å; L173-Y226 HydrophobicContact CB-CE1 4.04Å; L173-Y226 HydrophobicContact CB-CE2 3.54Å; L173-Y226 HydrophobicContact CD1-CD2 3.89Å; L173-Y226 HydrophobicContact CD1-CE2 4.14Å; L173-Y226 HydrophobicContact CD1-CG 4.25Å; L173-Y226 HydrophobicContact CG-CE2 4.48Å; L173-Y226 PolarHBondContact O-OH 3.31Å; L173-Y226 VanDerWaalsContact O-OH 3.1Å; D174-Y226 WeakPolarHBondContact CA-OH 3.43Å; D174-Y226 PolarHBondContact N-OH 3.08Å; D174-Y226 VanDerWaalsContact N-OH 3.13Å; D174-Y226 WeakPolarHBondContact OD1-CE2 3.48Å; D174-Y226 PolarHBondContact OD1-OH 3.22Å; N177-Y226 HydrophobicContact CB-CE1 4.34Å; Y226-N228 PolarHBondContact O-N 3.08Å; Y226-Y229 HydrophobicContact CD1-CD2 4.43Å; Y226-Y229 PolarHBondContact O-N 3.18Å; Y226-Y229 VanDerWaalsContact O-N 3.16Å; Y226-G230 PolarHBondContact N-O 3.29Å; Y226-I232 HydrophobicContact CG-CG1 4.46Å; Y226-Y235 HydrophobicContact CD1-CD1 4.23Å; Y226-Y235 HydrophobicContact CD1-CD2 4.03Å; Y226-Y235 HydrophobicContact CD1-CE2 4.39Å; Y226-Y235 AromaticContact CD1-CG 3.94Å; Y226-Y235 HydrophobicContact CD1-CG 3.94Å; Y226-Y235 HydrophobicContact CE1-CD1 4.39Å; Y226-Y235 HydrophobicContact CE1-CD2 4.16Å; Y226-Y235 HydrophobicContact CE1-CE1 4.29Å; Y226-Y235 HydrophobicContact CE1-CE2 4.05Å; Y226-Y235 HydrophobicContact CE1-CG 4.33Å | ||
| 227 | N | 71.2 | Confident | 78.3 | Confident | 94 Ų | 94 | 41.3 Ų | 41.3 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | -128.2 | -179.5 | -65.8 | -26.5 | 0 | 0 | 0 | 112.7 | N177 Y229 | N177-N227 PolarHBondContact ND2-ND2 3.08Å; N227-Y229 HydrophobicContact CB-CD2 4.33Å |
| 228 | N | 67 | Low | 78.2 | Confident | 164 Ų | 164 | 41.2 Ų | 41.2 | 88% | 0.877 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 3.5 | -179.1 | -65.8 | -22.4 | 0 | 0 | 0 | 113.3 | Y226 | Y226-N228 PolarHBondContact O-N 3.08Š|
| 229 | Y | 64.1 | Low | 78.4 | Confident | 48 Ų | 48 | 39.2 Ų | 39.2 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -94.4 | -2 | -171.4 | -61.8 | -79.3 | 0 | 0 | 0 | 114.3 | N177 Y226 N227 Y235 H249 L250 | N177-Y229 WeakPolarHBondContact OD1-CE2 3.21Å; N177-Y229 PolarHBondContact OD1-OH 3.31Å; Y226-Y229 HydrophobicContact CD1-CD2 4.43Å; Y226-Y229 PolarHBondContact O-N 3.18Å; Y226-Y229 VanDerWaalsContact O-N 3.16Å; N227-Y229 HydrophobicContact CB-CD2 4.33Å; Y229-Y235 HydrophobicContact CD1-CD2 4.34Å; Y229-Y235 AromaticContact CD2-CD2 3.64Å; Y229-Y235 HydrophobicContact CD2-CD2 3.64Å; Y229-Y235 HydrophobicContact CD2-CE2 4.09Å; Y229-Y235 HydrophobicContact CE2-CD2 4.07Å; Y229-Y235 HydrophobicContact CE2-CE2 4.05Å; Y229-Y235 AromaticContact CG-CD2 3.79Å; Y229-Y235 HydrophobicContact CG-CD2 3.79Å; Y229-H249 PolarHBondContact OH-CE1 3.11Å; Y229-H249 PolarHBondContact OH-NE2 2.96Å; Y229-L250 HydrophobicContact CE1-CD1 3.64Å; Y229-L250 HydrophobicContact CE2-CD1 4.35Å; Y229-L250 VanDerWaalsContact OH-CD1 3.31Å; Y229-L250 WeakPolarHBondContact OH-CD1 3.46Å |
| 230 | G | 72.8 | Confident | 79.1 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 82 | -137.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N225 Y226 | N225-G230 CarbonylContact C-O 3.09Å; N225-G230 VanDerWaalsContact CA-O 3.28Å; N225-G230 WeakPolarHBondContact CA-O 3.41Å; Y226-G230 PolarHBondContact N-O 3.29Å |
| 231 | S | 77.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 151.7 | -178.7 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | C224 S233 L234 Y235 | C224-S231 CarbonylContact O-C 3.53Å; C224-S231 VanDerWaalsContact O-CA 3.31Å; C224-S231 WeakPolarHBondContact O-CA 3.32Å; S231-S233 PolarHBondContact O-N 3.35Å; S231-S233 VanDerWaalsContact O-N 3.11Å; S231-S233 PolarHBondContact OG-OG 3.32Å; S231-L234 PolarHBondContact O-N 3.09Å; S231-Y235 PolarHBondContact O-N 2.93Å |
| 232 | I | 83.1 | Confident | 79.5 | Confident | 11 Ų | 11 | 28.1 Ų | 28.1 | 6% | 0.056 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -51.4 | -36.1 | 173.3 | -71 | 171.7 | 0 | 0 | 0 | 111.5 | L169 L173 I217 D221 C224 Y226 L234 Y235 I236 | L169-I232 HydrophobicContact CD2-CD1 4.25Å; L173-I232 HydrophobicContact CD1-CD1 3.71Å; L173-I232 HydrophobicContact CD1-CG1 3.85Å; L173-I232 HydrophobicContact CD1-CG2 4.25Å; I217-I232 HydrophobicContact CD1-CG2 4.15Å; D221-I232 WeakPolarHBondContact O-CD1 3.43Å; C224-I232 HydrophobicContact CB-CD1 4.23Å; C224-I232 PolarHBondContact O-N 3.28Å; Y226-I232 HydrophobicContact CG-CG1 4.46Å; I232-L234 VanDerWaalsContact C-N 3.28Å; I232-L234 PolarHBondContact O-N 2.95Å; I232-Y235 PolarHBondContact O-N 3.45Å; I232-I236 HydrophobicContact CG2-CD1 3.8Å; I232-I236 HydrophobicContact CG2-CG1 4.34Å; I232-I236 WeakPolarHBondContact O-CG1 3.46Å; I232-I236 PolarHBondContact O-N 3.04Å |
| 233 | S | 83.6 | Confident | 79 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -35.3 | 177.1 | 81.9 | 0 | 0 | 0 | 0 | 114.3 | W222 S231 L237 W272 | W222-S233 PolarHBondContact O-N 3.45Å; S231-S233 PolarHBondContact O-N 3.35Å; S231-S233 VanDerWaalsContact O-N 3.11Å; S231-S233 PolarHBondContact OG-OG 3.32Å; S233-L237 PolarHBondContact O-N 3.1Å; S233-W272 PolarHBondContact O-NE1 3.01Å |
| 234 | L | 80.7 | Confident | 78.2 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -81.4 | -38.5 | 179.7 | -62.2 | 179.9 | 0 | 0 | 0 | 111 | S231 I232 I236 L237 S238 W272 Q291 F292 F295 | S231-L234 PolarHBondContact O-N 3.09Å; I232-L234 VanDerWaalsContact C-N 3.28Å; I232-L234 PolarHBondContact O-N 2.95Å; L234-I236 VanDerWaalsContact C-N 3.31Å; L234-I236 PolarHBondContact O-N 3.38Å; L234-L237 WeakPolarHBondContact O-CB 3.36Å; L234-L237 PolarHBondContact O-N 2.9Å; L234-S238 PolarHBondContact O-N 3.44Å; L234-W272 HydrophobicContact CD2-CZ2 4.36Å; L234-Q291 HydrophobicContact CD1-CB 3.75Å; L234-F292 HydrophobicContact CD2-CD1 4.31Å; L234-F292 HydrophobicContact CD2-CE1 4.41Å; L234-F295 HydrophobicContact CB-CD2 4.27Å; L234-F295 HydrophobicContact CB-CE2 3.93Å; L234-F295 HydrophobicContact CB-CZ 4.17Å; L234-F295 HydrophobicContact CD1-CD2 4.09Å; L234-F295 HydrophobicContact CD1-CE2 4.05Å; L234-F295 HydrophobicContact CD2-CB 4.14Å; L234-F295 HydrophobicContact CD2-CD2 3.64Å; L234-F295 HydrophobicContact CD2-CE2 4.18Å; L234-F295 HydrophobicContact CD2-CG 3.91Å; L234-F295 HydrophobicContact CG-CD2 4.2Å; L234-F295 HydrophobicContact CG-CE2 4.26Å |
| 235 | Y | 84 | Confident | 77.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.7 | -45.4 | 172.4 | 176.5 | -100.8 | 0 | 0 | 0 | 111.6 | L173 L176 N177 Y226 Y229 S231 I232 L237 S238 M239 L250 | L173-Y235 HydrophobicContact CD2-CD1 3.66Å; L173-Y235 HydrophobicContact CD2-CE1 3.61Å; L176-Y235 HydrophobicContact CB-CE1 4.4Å; L176-Y235 VanDerWaalsContact CB-OH 3.26Å; L176-Y235 WeakPolarHBondContact CB-OH 3.22Å; L176-Y235 PolarHBondContact O-OH 2.96Å; N177-Y235 WeakPolarHBondContact CA-OH 3.28Å; N177-Y235 HydrophobicContact CB-CE2 4.29Å; N177-Y235 PolarHBondContact N-OH 3.44Å; N177-Y235 VanDerWaalsContact N-OH 3.12Å; Y226-Y235 HydrophobicContact CD1-CD1 4.23Å; Y226-Y235 HydrophobicContact CD1-CD2 4.03Å; Y226-Y235 HydrophobicContact CD1-CE2 4.39Å; Y226-Y235 AromaticContact CD1-CG 3.94Å; Y226-Y235 HydrophobicContact CD1-CG 3.94Å; Y226-Y235 HydrophobicContact CE1-CD1 4.39Å; Y226-Y235 HydrophobicContact CE1-CD2 4.16Å; Y226-Y235 HydrophobicContact CE1-CE1 4.29Å; Y226-Y235 HydrophobicContact CE1-CE2 4.05Å; Y226-Y235 HydrophobicContact CE1-CG 4.33Å; Y229-Y235 HydrophobicContact CD1-CD2 4.34Å; Y229-Y235 AromaticContact CD2-CD2 3.64Å; Y229-Y235 HydrophobicContact CD2-CD2 3.64Å; Y229-Y235 HydrophobicContact CD2-CE2 4.09Å; Y229-Y235 HydrophobicContact CE2-CD2 4.07Å; Y229-Y235 HydrophobicContact CE2-CE2 4.05Å; Y229-Y235 AromaticContact CG-CD2 3.79Å; Y229-Y235 HydrophobicContact CG-CD2 3.79Å; S231-Y235 PolarHBondContact O-N 2.93Å; I232-Y235 PolarHBondContact O-N 3.45Å; Y235-L237 VanDerWaalsContact C-N 3.33Å; Y235-L237 PolarHBondContact O-N 3.37Å; Y235-S238 PolarHBondContact O-N 3.24Å; Y235-M239 HydrophobicContact CD1-CG 4.39Å; Y235-M239 HydrophobicContact CE1-CG 3.9Å; Y235-M239 HydrophobicContact CE2-CG 4.17Å; Y235-M239 HydrophobicContact CE2-SD 4.5Å; Y235-M239 WeakPolarHBondContact O-CG 3.19Å; Y235-M239 PolarHBondContact O-N 3.2Å; Y235-L250 HydrophobicContact CD2-CD1 4.41Å; Y235-L250 HydrophobicContact CE2-CD1 3.81Å |
| 236 | I | 86.8 | Confident | 76.5 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.7 | -37.4 | 177.4 | -69.3 | 170.4 | 0 | 0 | 0 | 112 | L210 V214 I217 W222 I232 L234 M239 A240 | L210-I236 HydrophobicContact CD2-CG2 4.39Å; V214-I236 HydrophobicContact CG2-CG2 3.72Å; I217-I236 HydrophobicContact CD1-CD1 3.55Å; W222-I236 HydrophobicContact CE3-CD1 4.43Å; W222-I236 HydrophobicContact CH2-CD1 4.25Å; W222-I236 HydrophobicContact CZ3-CD1 3.63Å; I232-I236 HydrophobicContact CG2-CD1 3.8Å; I232-I236 HydrophobicContact CG2-CG1 4.34Å; I232-I236 WeakPolarHBondContact O-CG1 3.46Å; I232-I236 PolarHBondContact O-N 3.04Å; L234-I236 VanDerWaalsContact C-N 3.31Å; L234-I236 PolarHBondContact O-N 3.38Å; I236-M239 PolarHBondContact O-N 2.91Å; I236-A240 WeakPolarHBondContact O-CB 3.38Å; I236-A240 PolarHBondContact O-N 3.18Å |
| 237 | L | 85.2 | Confident | 75.6 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 174.3 | -85.4 | -173.6 | 0 | 0 | 0 | 112.1 | S233 L234 Y235 M239 A240 G241 F242 W272 F295 V299 | S233-L237 PolarHBondContact O-N 3.1Å; L234-L237 WeakPolarHBondContact O-CB 3.36Å; L234-L237 PolarHBondContact O-N 2.9Å; Y235-L237 VanDerWaalsContact C-N 3.33Å; Y235-L237 PolarHBondContact O-N 3.37Å; L237-M239 VanDerWaalsContact C-N 3.31Å; L237-M239 PolarHBondContact O-N 3.3Å; L237-A240 CarbonylContact O-C 3.33Å; L237-A240 WeakPolarHBondContact O-CA 3.48Å; L237-A240 PolarHBondContact O-N 3.18Å; L237-G241 PolarHBondContact O-N 3.36Å; L237-F242 CarbonylContact C-O 3.6Å; L237-F242 HydrophobicContact CB-CB 4.32Å; L237-F242 HydrophobicContact CD2-CD2 4Å; L237-F242 WeakPolarHBondContact O-CB 3.28Å; L237-F242 PolarHBondContact O-N 3.16Å; L237-W272 HydrophobicContact CD1-CD2 3.57Å; L237-W272 HydrophobicContact CD1-CE3 4.14Å; L237-W272 HydrophobicContact CD1-CG 3.94Å; L237-W272 HydrophobicContact CD1-CH2 4.12Å; L237-W272 HydrophobicContact CD1-CZ2 3.52Å; L237-W272 HydrophobicContact CD1-CZ3 4.39Å; L237-W272 VanDerWaalsContact CD1-NE1 3.25Å; L237-W272 HydrophobicContact CD2-CB 4.35Å; L237-W272 HydrophobicContact CD2-CD2 4.27Å; L237-W272 HydrophobicContact CD2-CG 4.01Å; L237-W272 HydrophobicContact CG-CD2 4.12Å; L237-W272 HydrophobicContact CG-CG 3.94Å; L237-F295 HydrophobicContact CB-CD1 4.3Å; L237-F295 HydrophobicContact CD1-CB 4.27Å; L237-F295 HydrophobicContact CD1-CD1 4.48Å; L237-V299 HydrophobicContact CD1-CG2 4.24Å; L237-V299 HydrophobicContact CD2-CG2 4.43Å |
| 238 | S | 83.3 | Confident | 75.2 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.4 | -47.8 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | L234 Y235 A240 G241 F242 D248 | L234-S238 PolarHBondContact O-N 3.44Å; Y235-S238 PolarHBondContact O-N 3.24Å; S238-A240 VanDerWaalsContact C-N 3.25Å; S238-A240 PolarHBondContact O-N 3.33Å; S238-G241 WeakPolarHBondContact O-CA 3.36Å; S238-G241 PolarHBondContact O-N 3.23Å; S238-F242 VanDerWaalsContact CA-O 3.26Å; S238-F242 WeakPolarHBondContact CA-O 3.42Å; S238-F242 PolarHBondContact N-O 3.23Å; S238-D248 PolarHBondContact OG-OD2 3.3Å; S238-D248 VanDerWaalsContact OG-OD2 3.11Å |
| 239 | M | 84.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -28 | 176.1 | -70.1 | -64.1 | -69.5 | 0 | 0 | 114 | L176 F198 L210 Y235 I236 L237 G241 L250 | L176-M239 HydrophobicContact CB-CE 4.11Å; F198-M239 HydrophobicContact CD1-CE 3.42Å; F198-M239 VanDerWaalsContact CD1-CE 3.42Å; F198-M239 HydrophobicContact CE1-CE 3.61Å; L210-M239 HydrophobicContact CD1-CB 3.9Å; L210-M239 HydrophobicContact CD2-CB 3.99Å; Y235-M239 HydrophobicContact CD1-CG 4.39Å; Y235-M239 HydrophobicContact CE1-CG 3.9Å; Y235-M239 HydrophobicContact CE2-CG 4.17Å; Y235-M239 HydrophobicContact CE2-SD 4.5Å; Y235-M239 WeakPolarHBondContact O-CG 3.19Å; Y235-M239 PolarHBondContact O-N 3.2Å; I236-M239 PolarHBondContact O-N 2.91Å; L237-M239 VanDerWaalsContact C-N 3.31Å; L237-M239 PolarHBondContact O-N 3.3Å; M239-G241 PolarHBondContact O-N 2.93Å; M239-L250 HydrophobicContact SD-CB 4.29Å; M239-L250 HydrophobicContact SD-CD1 4.08Å; M239-L250 HydrophobicContact SD-CD2 3.94Å; M239-L250 HydrophobicContact SD-CG 4.35Å |
| 240 | A | 87.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 4.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | L207 L210 I236 L237 S238 F242 F254 Q265 I268 | L207-A240 HydrophobicContact CD2-CB 4.11Å; L210-A240 HydrophobicContact CD1-CB 4.08Å; I236-A240 WeakPolarHBondContact O-CB 3.38Å; I236-A240 PolarHBondContact O-N 3.18Å; L237-A240 CarbonylContact O-C 3.33Å; L237-A240 WeakPolarHBondContact O-CA 3.48Å; L237-A240 PolarHBondContact O-N 3.18Å; S238-A240 VanDerWaalsContact C-N 3.25Å; S238-A240 PolarHBondContact O-N 3.33Å; A240-F242 HydrophobicContact CB-CD2 3.99Å; A240-F242 HydrophobicContact CB-CE2 4.15Å; A240-F254 WeakPolarHBondContact O-CD2 3.38Å; A240-F254 WeakPolarHBondContact O-CE2 3.37Å; A240-Q265 PolarHBondContact O-NE2 3.41Å; A240-I268 HydrophobicContact CB-CD1 4.33Å; A240-I268 HydrophobicContact CB-CG2 4.24Å |
| 241 | G | 83 | Confident | 74 | Confident | 19 Ų | 19 | 34 Ų | 34 | 20% | 0.196 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 15.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L237 S238 M239 | L237-G241 PolarHBondContact O-N 3.36Å; S238-G241 WeakPolarHBondContact O-CA 3.36Å; S238-G241 PolarHBondContact O-N 3.23Å; M239-G241 PolarHBondContact O-N 2.93Å |
| 242 | F | 83.3 | Confident | 73.4 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 4% | 0.044 | 20% | 0.2 | C | C | . | . | trans | -113 | 89.5 | 179.3 | -55.5 | -79.6 | 0 | 0 | 0 | 110 | L237 S238 A240 Q265 V269 F295 P298 V299 Y302 | L237-F242 CarbonylContact C-O 3.6Å; L237-F242 HydrophobicContact CB-CB 4.32Å; L237-F242 HydrophobicContact CD2-CD2 4Å; L237-F242 WeakPolarHBondContact O-CB 3.28Å; L237-F242 PolarHBondContact O-N 3.16Å; S238-F242 VanDerWaalsContact CA-O 3.26Å; S238-F242 WeakPolarHBondContact CA-O 3.42Å; S238-F242 PolarHBondContact N-O 3.23Å; A240-F242 HydrophobicContact CB-CD2 3.99Å; A240-F242 HydrophobicContact CB-CE2 4.15Å; F242-Q265 HydrophobicContact CZ-CB 4.42Å; F242-V269 HydrophobicContact CD2-CG2 4.27Å; F242-V269 HydrophobicContact CE1-CG2 4.26Å; F242-V269 HydrophobicContact CE2-CG2 3.49Å; F242-V269 VanDerWaalsContact CE2-CG2 3.49Å; F242-V269 HydrophobicContact CZ-CG2 3.49Å; F242-V269 VanDerWaalsContact CZ-CG2 3.49Å; F242-F295 WeakPolarHBondContact O-CD1 3.31Å; F242-F295 WeakPolarHBondContact O-CE1 3.37Å; F242-P298 HydrophobicContact CB-CB 4.33Å; F242-P298 HydrophobicContact CD1-CB 4.32Å; F242-V299 HydrophobicContact CB-CG2 4.46Å; F242-V299 HydrophobicContact CD1-CG2 4.16Å; F242-V299 HydrophobicContact CG-CG2 4.27Å; F242-Y302 HydrophobicContact CE1-CD1 4.11Å; F242-Y302 HydrophobicContact CE1-CD2 4.05Å; F242-Y302 AromaticContact CE1-CG 3.64Å; F242-Y302 HydrophobicContact CE1-CG 3.64Å; F242-Y302 HydrophobicContact CZ-CD1 4.05Å; F242-Y302 HydrophobicContact CZ-CD2 4.11Å; F242-Y302 HydrophobicContact CZ-CE1 4.43Å; F242-Y302 HydrophobicContact CZ-CE2 4.47Å; F242-Y302 AromaticContact CZ-CG 3.9Å; F242-Y302 HydrophobicContact CZ-CG 3.9Å | ||
| 243 | S | 71.3 | Confident | 72.7 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | trans | -129.2 | 162.8 | 172.7 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | D248 | S243-D248 WeakPolarHBondContact CB-OD2 3.36Å; S243-D248 PolarHBondContact OG-OD2 3.46Å | ||
| 244 | V | 60.5 | Low | 72.4 | Confident | 73 Ų | 73 | 41.5 Ų | 41.5 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -97.2 | -32.9 | -177.4 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | P246 V294 P298 | V244-P246 WeakPolarHBondContact O-CD 3.31Å; V244-V294 HydrophobicContact CB-CG1 3.84Å; V244-V294 HydrophobicContact CG1-CG1 4.14Å; V244-V294 HydrophobicContact CG2-CB 4.36Å; V244-V294 HydrophobicContact CG2-CG1 3.32Å; V244-V294 WeakPolarHBondContact CG2-O 3.45Å; V244-P298 HydrophobicContact CG2-CG 4.1Å |
| 245 | D | 64.8 | Low | 72 | Confident | 85 Ų | 85 | 45.9 Ų | 45.9 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | trans | -82.1 | 109.5 | 174.2 | -174.9 | -2.8 | 0 | 0 | 0 | 108.4 | N247 D248 L251 | D245-N247 PolarHBondContact O-N 3.45Å; D245-N247 WeakPolarHBondContact OD1-CA 3.39Å; D245-N247 WeakPolarHBondContact OD1-CB 3.35Å; D245-N247 PolarHBondContact OD1-N 3.49Å; D245-D248 HydrophobicContact CB-CB 4.2Å; D245-D248 WeakPolarHBondContact O-CB 3.48Å; D245-D248 PolarHBondContact O-N 3.05Å; D245-L251 WeakPolarHBondContact O-CD1 3.45Å | ||
| 246 | P | 56.1 | Low | 71.2 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 70% | 0.695 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -18.2 | 176.1 | 24.9 | -33.1 | 0 | 0 | 0 | 113 | V244 | V244-P246 WeakPolarHBondContact O-CD 3.31Š|
| 247 | N | 57.1 | Low | 70.4 | Confident | 138 Ų | 138 | 59.5 Ų | 59.5 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 6.6 | 174.2 | -53.9 | -52.5 | 0 | 0 | 0 | 113.3 | D245 H249 | D245-N247 PolarHBondContact O-N 3.45Å; D245-N247 WeakPolarHBondContact OD1-CA 3.39Å; D245-N247 WeakPolarHBondContact OD1-CB 3.35Å; D245-N247 PolarHBondContact OD1-N 3.49Å; N247-H249 PolarHBondContact O-N 2.86Å |
| 248 | D | 62.9 | Low | 70.2 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 13% | 0.128 | 34% | 0.34 | C | S | . | . | trans | -58.8 | 112.9 | 172.7 | -171.9 | -4.5 | 0 | 0 | 0 | 108.3 | S238 S243 D245 L250 L251 | S238-D248 PolarHBondContact OG-OD2 3.3Å; S238-D248 VanDerWaalsContact OG-OD2 3.11Å; S243-D248 WeakPolarHBondContact CB-OD2 3.36Å; S243-D248 PolarHBondContact OG-OD2 3.46Å; D245-D248 HydrophobicContact CB-CB 4.2Å; D245-D248 WeakPolarHBondContact O-CB 3.48Å; D245-D248 PolarHBondContact O-N 3.05Å; D248-L250 PolarHBondContact O-N 3.45Å; D248-L250 PolarHBondContact OD1-N 2.97Å; D248-L250 VanDerWaalsContact OD1-N 3.16Å; D248-L251 HydrophobicContact CB-CB 4.23Å; D248-L251 HydrophobicContact CB-CD1 4.3Å; D248-L251 WeakPolarHBondContact O-CB 3.23Å; D248-L251 PolarHBondContact O-N 2.99Å | ||
| 249 | H | 60.4 | Low | 70 | Confident | 142 Ų | 142 | 62.8 Ų | 62.8 | 66% | 0.657 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -20.1 | 176 | 60.8 | -53.3 | 0 | 0 | 0 | 114.3 | Y229 N247 | Y229-H249 PolarHBondContact OH-CE1 3.11Å; Y229-H249 PolarHBondContact OH-NE2 2.96Å; N247-H249 PolarHBondContact O-N 2.86Å |
| 250 | L | 58.7 | Low | 69.9 | Low | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -11.2 | 174.5 | -62.6 | -179 | 0 | 0 | 0 | 114.4 | Y229 Y235 M239 D248 R252 | Y229-L250 HydrophobicContact CE1-CD1 3.64Å; Y229-L250 HydrophobicContact CE2-CD1 4.35Å; Y229-L250 VanDerWaalsContact OH-CD1 3.31Å; Y229-L250 WeakPolarHBondContact OH-CD1 3.46Å; Y235-L250 HydrophobicContact CD2-CD1 4.41Å; Y235-L250 HydrophobicContact CE2-CD1 3.81Å; M239-L250 HydrophobicContact SD-CB 4.29Å; M239-L250 HydrophobicContact SD-CD1 4.08Å; M239-L250 HydrophobicContact SD-CD2 3.94Å; M239-L250 HydrophobicContact SD-CG 4.35Å; D248-L250 PolarHBondContact O-N 3.45Å; D248-L250 PolarHBondContact OD1-N 2.97Å; D248-L250 VanDerWaalsContact OD1-N 3.16Å; L250-R252 WeakPolarHBondContact O-CG 3.26Å; L250-R252 PolarHBondContact O-N 3.26Å |
| 251 | L | 58.4 | Low | 69.9 | Low | 64 Ų | 64 | 63.7 Ų | 63.7 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | trans | -69.4 | 100.3 | -173.1 | -136.1 | 160.6 | 0 | 0 | 0 | 110.5 | D245 D248 | D245-L251 WeakPolarHBondContact O-CD1 3.45Å; D248-L251 HydrophobicContact CB-CB 4.23Å; D248-L251 HydrophobicContact CB-CD1 4.3Å; D248-L251 WeakPolarHBondContact O-CB 3.23Å; D248-L251 PolarHBondContact O-N 2.99Å | ||
| 252 | R | 67.1 | Low | 70.1 | Confident | 57 Ų | 57 | 63 Ų | 63 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | trans | -87.7 | 126.3 | -176.7 | -73.7 | 164.1 | -173.3 | -111 | -9.2 | 111.4 | F198 Q206 L250 F254 | F198-R252 PolarHBondContact O-NH1 2.93Å; F198-R252 PolarHBondContact O-NH2 3.2Å; Q206-R252 VanDerWaalsContact NE2-NH1 3.13Å; L250-R252 WeakPolarHBondContact O-CG 3.26Å; L250-R252 PolarHBondContact O-N 3.26Å; R252-F254 HydrophobicContact CB-CD2 4.23Å; R252-F254 HydrophobicContact CB-CE2 3.67Å; R252-F254 HydrophobicContact CB-CZ 3.91Å; R252-F254 WeakPolarHBondContact O-CD2 3.45Å; R252-F254 PolarHBondContact O-N 3.39Å | ||
| 253 | G | 66.8 | Low | 70.3 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 90% | 0.897 | 35% | 0.354 | S | S | * | . | trans | -72.5 | 88.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 254 | F | 78 | Confident | 71.2 | Confident | 25 Ų | 25 | 63 Ų | 63 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | trans | -77.5 | 135.8 | 171.7 | -67.5 | -72.3 | 0 | 0 | 0 | 111.3 | P203 L207 A240 R252 R256 T261 | P203-F254 HydrophobicContact CB-CD1 3.41Å; P203-F254 VanDerWaalsContact CB-CD1 3.41Å; P203-F254 HydrophobicContact CB-CE1 3.54Å; L207-F254 HydrophobicContact CD1-CD1 3.99Å; L207-F254 HydrophobicContact CD1-CE1 3.97Å; L207-F254 HydrophobicContact CD2-CE1 4.2Å; L207-F254 HydrophobicContact CD2-CE2 4.3Å; L207-F254 HydrophobicContact CD2-CZ 3.95Å; L207-F254 HydrophobicContact CG-CD1 4.4Å; L207-F254 HydrophobicContact CG-CE1 3.88Å; L207-F254 HydrophobicContact CG-CZ 4.11Å; A240-F254 WeakPolarHBondContact O-CD2 3.38Å; A240-F254 WeakPolarHBondContact O-CE2 3.37Å; R252-F254 HydrophobicContact CB-CD2 4.23Å; R252-F254 HydrophobicContact CB-CE2 3.67Å; R252-F254 HydrophobicContact CB-CZ 3.91Å; R252-F254 WeakPolarHBondContact O-CD2 3.45Å; R252-F254 PolarHBondContact O-N 3.39Å; F254-R256 PolarHBondContact O-N 3.09Å; F254-T261 HydrophobicContact CB-CG2 3.92Å; F254-T261 HydrophobicContact CD1-CG2 4.08Å; F254-T261 HydrophobicContact CG-CG2 4.3Å | ||
| 255 | N | 71.2 | Confident | 72.7 | Confident | 95 Ų | 95 | 60 Ų | 60 | 51% | 0.508 | 33% | 0.329 | S | S | . | . | trans | -69.5 | 105.7 | 177.5 | -175.9 | -2.3 | 0 | 0 | 0 | 110.5 | N257 D258 | N255-N257 PolarHBondContact O-N 2.66Å; N255-N257 VanDerWaalsContact O-N 3.09Å; N255-N257 WeakPolarHBondContact OD1-CB 3.44Å; N255-N257 PolarHBondContact OD1-N 2.72Å; N255-D258 PolarHBondContact O-N 3.2Å | ||
| 256 | R | 68.9 | Low | 74 | Confident | 143 Ų | 143 | 56 Ų | 56 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -12.1 | 178.6 | -65.8 | -174.7 | 175.2 | -159.7 | -6.5 | 114.2 | F254 N262 D305 | F254-R256 PolarHBondContact O-N 3.09Å; R256-N262 PolarHBondContact O-ND2 3.16Å; R256-D305 IonicContact CZ-OD2 3.86Å; R256-D305 IonicContact NH1-OD2 3.97Å; R256-D305 PolarHBondContact NH1-OD2 2.72Å; R256-D305 IonicContact NH2-OD2 2.73Å |
| 257 | N | 69.4 | Low | 75.6 | Confident | 146 Ų | 146 | 54.7 Ų | 54.7 | 78% | 0.781 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -11 | 175 | -64.4 | -23.8 | 0 | 0 | 0 | 113 | N255 S259 | N255-N257 PolarHBondContact O-N 2.66Å; N255-N257 VanDerWaalsContact O-N 3.09Å; N255-N257 WeakPolarHBondContact OD1-CB 3.44Å; N255-N257 PolarHBondContact OD1-N 2.72Å; N257-S259 PolarHBondContact O-N 3.25Å |
| 258 | D | 81 | Confident | 77.2 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | trans | -82.7 | 112.9 | 176.8 | 178.5 | 20.4 | 0 | 0 | 0 | 111.3 | Q204 N255 V260 T261 N262 | Q204-D258 PolarHBondContact NE2-OD2 2.99Å; N255-D258 PolarHBondContact O-N 3.2Å; D258-V260 VanDerWaalsContact C-N 3.3Å; D258-V260 PolarHBondContact O-N 3.5Å; D258-V260 PolarHBondContact OD1-N 3.18Å; D258-V260 VanDerWaalsContact OD1-N 3.1Å; D258-T261 PolarHBondContact O-N 3.45Å; D258-T261 VanDerWaalsContact OD2-CB 3.32Å; D258-T261 WeakPolarHBondContact OD2-CB 3.33Å; D258-T261 PolarHBondContact OD2-N 2.91Å; D258-T261 PolarHBondContact OD2-OG1 3.4Å; D258-N262 PolarHBondContact O-N 3.46Å; D258-N262 PolarHBondContact O-ND2 3.27Å | ||
| 259 | S | 79.6 | Confident | 78.6 | Confident | 36 Ų | 36 | 47.1 Ų | 47.1 | 25% | 0.252 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.2 | -34.9 | -179.6 | 72.3 | 0 | 0 | 0 | 0 | 114.3 | N257 L263 Y310 | N257-S259 PolarHBondContact O-N 3.25Å; S259-L263 WeakPolarHBondContact O-CB 3.49Å; S259-L263 PolarHBondContact O-N 2.91Å; S259-Y310 WeakPolarHBondContact CB-OH 3.21Å |
| 260 | V | 83.1 | Confident | 80 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 11% | 0.109 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.5 | -46.8 | -179.8 | 173.2 | 0 | 0 | 0 | 0 | 110 | V147 Q204 D258 N262 L263 L264 | V147-V260 HydrophobicContact CG2-CB 4.16Å; V147-V260 HydrophobicContact CG2-CG1 3.65Å; V147-V260 HydrophobicContact CG2-CG2 3.75Å; Q204-V260 HydrophobicContact CB-CG1 4.49Å; Q204-V260 HydrophobicContact CG-CB 4.41Å; Q204-V260 HydrophobicContact CG-CG1 3.97Å; D258-V260 VanDerWaalsContact C-N 3.3Å; D258-V260 PolarHBondContact O-N 3.5Å; D258-V260 PolarHBondContact OD1-N 3.18Å; D258-V260 VanDerWaalsContact OD1-N 3.1Å; V260-N262 VanDerWaalsContact C-N 3.34Å; V260-N262 PolarHBondContact O-N 2.95Å; V260-L263 PolarHBondContact O-N 2.93Å; V260-L263 VanDerWaalsContact O-N 3.15Å; V260-L264 HydrophobicContact CG1-CD1 4.07Å; V260-L264 WeakPolarHBondContact O-CG 3.3Å; V260-L264 PolarHBondContact O-N 3.23Å |
| 261 | T | 86.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.9 | -49 | 173.3 | -66.8 | 0 | 0 | 0 | 0 | 110.9 | L207 F254 D258 L263 L264 Q265 | L207-T261 HydrophobicContact CD1-CG2 3.55Å; F254-T261 HydrophobicContact CB-CG2 3.92Å; F254-T261 HydrophobicContact CD1-CG2 4.08Å; F254-T261 HydrophobicContact CG-CG2 4.3Å; D258-T261 PolarHBondContact O-N 3.45Å; D258-T261 VanDerWaalsContact OD2-CB 3.32Å; D258-T261 WeakPolarHBondContact OD2-CB 3.33Å; D258-T261 PolarHBondContact OD2-N 2.91Å; D258-T261 PolarHBondContact OD2-OG1 3.4Å; T261-L263 PolarHBondContact O-N 2.78Å; T261-L264 PolarHBondContact O-N 2.9Å; T261-Q265 WeakPolarHBondContact O-CB 3.48Å; T261-Q265 WeakPolarHBondContact O-CG 3.46Å; T261-Q265 PolarHBondContact O-N 3.36Å |
| 262 | N | 87.3 | Confident | 82.8 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -37.8 | 176.3 | -73.3 | -39.8 | 0 | 0 | 0 | 112.9 | R256 D258 V260 L264 S266 Y302 M306 I314 | R256-N262 PolarHBondContact O-ND2 3.16Å; D258-N262 PolarHBondContact O-N 3.46Å; D258-N262 PolarHBondContact O-ND2 3.27Å; V260-N262 VanDerWaalsContact C-N 3.34Å; V260-N262 PolarHBondContact O-N 2.95Å; N262-L264 VanDerWaalsContact C-N 3.35Å; N262-S266 VanDerWaalsContact O-CB 3.32Å; N262-S266 WeakPolarHBondContact O-CB 3.44Å; N262-S266 PolarHBondContact O-N 3.48Å; N262-S266 PolarHBondContact O-OG 3.49Å; N262-Y302 PolarHBondContact O-OH 3.04Å; N262-M306 HydrophobicContact CB-SD 4.23Å; N262-I314 HydrophobicContact CB-CD1 3.83Å |
| 263 | L | 88.2 | Confident | 83.8 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 176.6 | -177.6 | 60.1 | 0 | 0 | 0 | 111.7 | V147 S259 V260 T261 S266 K267 A313 I314 | V147-L263 HydrophobicContact CB-CD2 4.36Å; V147-L263 HydrophobicContact CG1-CD2 3.94Å; V147-L263 HydrophobicContact CG1-CG 4.48Å; V147-L263 HydrophobicContact CG2-CD2 4.17Å; S259-L263 WeakPolarHBondContact O-CB 3.49Å; S259-L263 PolarHBondContact O-N 2.91Å; V260-L263 PolarHBondContact O-N 2.93Å; V260-L263 VanDerWaalsContact O-N 3.15Å; T261-L263 PolarHBondContact O-N 2.78Å; L263-S266 PolarHBondContact O-OG 3.1Å; L263-K267 WeakPolarHBondContact O-CG 3.44Å; L263-K267 PolarHBondContact O-N 2.94Å; L263-K267 VanDerWaalsContact O-N 3.12Å; L263-A313 HydrophobicContact CD1-CB 3.95Å; L263-I314 HydrophobicContact CB-CD1 4.1Å; L263-I314 HydrophobicContact CB-CG1 4.23Å; L263-I314 HydrophobicContact CD1-CG1 3.83Å |
| 264 | L | 90.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.4 | -47 | 176.4 | -66.8 | 167.8 | 0 | 0 | 0 | 111.3 | V147 L150 I151 L207 L211 V260 T261 N262 S266 K267 I268 | V147-L264 HydrophobicContact CG1-CD2 3.98Å; V147-L264 HydrophobicContact CG1-CG 4.37Å; L150-L264 HydrophobicContact CD2-CD1 3.61Å; I151-L264 HydrophobicContact CD1-CD2 3.77Å; I151-L264 HydrophobicContact CG1-CD2 3.64Å; L207-L264 HydrophobicContact CB-CB 3.85Å; L207-L264 HydrophobicContact CB-CD1 4.02Å; L207-L264 HydrophobicContact CD1-CB 4.35Å; L211-L264 HydrophobicContact CD2-CD2 3.96Å; V260-L264 HydrophobicContact CG1-CD1 4.07Å; V260-L264 WeakPolarHBondContact O-CG 3.3Å; V260-L264 PolarHBondContact O-N 3.23Å; T261-L264 PolarHBondContact O-N 2.9Å; N262-L264 VanDerWaalsContact C-N 3.35Å; L264-S266 PolarHBondContact O-N 2.86Å; L264-K267 PolarHBondContact O-N 3.18Å; L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.46Å; L264-I268 PolarHBondContact O-N 2.85Å |
| 265 | Q | 91.3 | Very high | 85 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 175.5 | -76.2 | -179.4 | -50.2 | 0 | 0 | 111.6 | L207 A240 F242 T261 K267 I268 V269 Y302 | L207-Q265 HydrophobicContact CD1-CG 3.76Å; L207-Q265 HydrophobicContact CD2-CG 3.8Å; L207-Q265 HydrophobicContact CG-CG 4.45Å; A240-Q265 PolarHBondContact O-NE2 3.41Å; F242-Q265 HydrophobicContact CZ-CB 4.42Å; T261-Q265 WeakPolarHBondContact O-CB 3.48Å; T261-Q265 WeakPolarHBondContact O-CG 3.46Å; T261-Q265 PolarHBondContact O-N 3.36Å; Q265-K267 VanDerWaalsContact C-N 3.31Å; Q265-K267 PolarHBondContact O-N 2.82Å; Q265-I268 PolarHBondContact O-N 3.45Å; Q265-V269 WeakPolarHBondContact O-CB 3.31Å; Q265-V269 VanDerWaalsContact O-CG2 3.27Å; Q265-V269 WeakPolarHBondContact O-CG2 3.42Å; Q265-V269 PolarHBondContact O-N 3.48Å; Q265-Y302 HydrophobicContact CB-CE2 4.22Å |
| 266 | S | 91.2 | Very high | 85.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.5 | -35.4 | 178.6 | 61.7 | 0 | 0 | 0 | 0 | 113 | N262 L263 L264 Y270 Y302 | N262-S266 VanDerWaalsContact O-CB 3.32Å; N262-S266 WeakPolarHBondContact O-CB 3.44Å; N262-S266 PolarHBondContact O-N 3.48Å; N262-S266 PolarHBondContact O-OG 3.49Å; L263-S266 PolarHBondContact O-OG 3.1Å; L264-S266 PolarHBondContact O-N 2.86Å; S266-Y270 VanDerWaalsContact O-CB 3.24Å; S266-Y270 WeakPolarHBondContact O-CB 3.17Å; S266-Y270 PolarHBondContact O-N 3.33Å; S266-Y302 WeakPolarHBondContact CB-OH 3.28Å; S266-Y302 PolarHBondContact N-OH 3.07Å; S266-Y302 VanDerWaalsContact N-OH 3.14Å |
| 267 | K | 90.6 | Very high | 85.8 | Confident | 81 Ų | 81 | 30.1 Ų | 30.1 | 35% | 0.352 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69.6 | -39.4 | 173.3 | -77.8 | -170.3 | 175.6 | -162.4 | 0 | 113.1 | I151 L211 L263 L264 Q265 S271 | I151-K267 HydrophobicContact CD1-CD 4.37Å; L211-K267 HydrophobicContact CD1-CB 4.07Å; L211-K267 HydrophobicContact CD2-CB 4Å; L211-K267 HydrophobicContact CD2-CD 4.21Å; L263-K267 WeakPolarHBondContact O-CG 3.44Å; L263-K267 PolarHBondContact O-N 2.94Å; L263-K267 VanDerWaalsContact O-N 3.12Å; L264-K267 PolarHBondContact O-N 3.18Å; Q265-K267 VanDerWaalsContact C-N 3.31Å; Q265-K267 PolarHBondContact O-N 2.82Å; K267-S271 VanDerWaalsContact O-CB 3.28Å; K267-S271 WeakPolarHBondContact O-CB 3.45Å; K267-S271 PolarHBondContact O-N 2.83Å; K267-S271 PolarHBondContact O-OG 2.8Å |
| 268 | I | 91.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -51.8 | 174.4 | -68.2 | 166.9 | 0 | 0 | 0 | 109 | L207 L210 L211 V214 A240 L264 Q265 Y270 S271 W272 | L207-I268 HydrophobicContact CB-CD1 4.26Å; L207-I268 HydrophobicContact CD2-CD1 3.84Å; L207-I268 WeakPolarHBondContact O-CD1 3.49Å; L210-I268 HydrophobicContact CB-CD1 4.09Å; L211-I268 HydrophobicContact CB-CD1 4.21Å; L211-I268 HydrophobicContact CB-CG1 3.72Å; L211-I268 HydrophobicContact CD1-CG1 3.78Å; L211-I268 HydrophobicContact CG-CG1 4.28Å; V214-I268 HydrophobicContact CG2-CG2 4.41Å; A240-I268 HydrophobicContact CB-CD1 4.33Å; A240-I268 HydrophobicContact CB-CG2 4.24Å; L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.46Å; L264-I268 PolarHBondContact O-N 2.85Å; Q265-I268 PolarHBondContact O-N 3.45Å; I268-Y270 PolarHBondContact O-N 2.93Å; I268-S271 PolarHBondContact O-N 3.35Å; I268-W272 VanDerWaalsContact O-CB 3.29Å; I268-W272 WeakPolarHBondContact O-CB 3.47Å; I268-W272 PolarHBondContact O-N 3.1Å |
| 269 | V | 90.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.5 | -44.6 | 179.3 | 166 | 0 | 0 | 0 | 0 | 111.9 | F242 Q265 W272 S273 V299 Y302 T321 | F242-V269 HydrophobicContact CD2-CG2 4.27Å; F242-V269 HydrophobicContact CE1-CG2 4.26Å; F242-V269 HydrophobicContact CE2-CG2 3.49Å; F242-V269 VanDerWaalsContact CE2-CG2 3.49Å; F242-V269 HydrophobicContact CZ-CG2 3.49Å; F242-V269 VanDerWaalsContact CZ-CG2 3.49Å; Q265-V269 WeakPolarHBondContact O-CB 3.31Å; Q265-V269 VanDerWaalsContact O-CG2 3.27Å; Q265-V269 WeakPolarHBondContact O-CG2 3.42Å; Q265-V269 PolarHBondContact O-N 3.48Å; V269-W272 PolarHBondContact O-N 3Å; V269-S273 WeakPolarHBondContact O-CB 3.38Å; V269-S273 PolarHBondContact O-N 3.36Å; V269-S273 PolarHBondContact O-OG 3.17Å; V269-V299 HydrophobicContact CG1-CG1 3.48Å; V269-V299 VanDerWaalsContact CG1-CG1 3.48Å; V269-Y302 HydrophobicContact CG2-CD1 4.41Å; V269-Y302 HydrophobicContact CG2-CE1 4.43Å; V269-T321 HydrophobicContact CG1-CG2 3.37Å |
| 270 | Y | 91 | Very high | 84.3 | Confident | 67 Ų | 67 | 30.9 Ų | 30.9 | 26% | 0.263 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 175.3 | 171.8 | -100.9 | 0 | 0 | 0 | 112 | S266 I268 W272 S273 K274 D320 T321 | S266-Y270 VanDerWaalsContact O-CB 3.24Å; S266-Y270 WeakPolarHBondContact O-CB 3.17Å; S266-Y270 PolarHBondContact O-N 3.33Å; I268-Y270 PolarHBondContact O-N 2.93Å; Y270-W272 VanDerWaalsContact C-N 3.34Å; Y270-W272 PolarHBondContact O-N 2.95Å; Y270-S273 PolarHBondContact O-N 3.4Å; Y270-S273 PolarHBondContact O-OG 2.97Å; Y270-K274 HydrophobicContact CE1-CD 4.22Å; Y270-K274 VanDerWaalsContact O-CB 3.28Å; Y270-K274 WeakPolarHBondContact O-CB 3.45Å; Y270-K274 PolarHBondContact O-N 2.67Å; Y270-D320 HydrophobicContact CD2-CB 3.84Å; Y270-D320 HydrophobicContact CE2-CB 3.67Å; Y270-T321 WeakPolarHBondContact CA-OG1 3.48Å |
| 271 | S | 87.5 | Confident | 82.9 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 25% | 0.245 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 179.1 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | K267 I268 K275 | K267-S271 VanDerWaalsContact O-CB 3.28Å; K267-S271 WeakPolarHBondContact O-CB 3.45Å; K267-S271 PolarHBondContact O-N 2.83Å; K267-S271 PolarHBondContact O-OG 2.8Å; I268-S271 PolarHBondContact O-N 3.35Å; S271-K275 WeakPolarHBondContact O-CB 3.29Å; S271-K275 PolarHBondContact O-N 3.45Å |
| 272 | W | 88.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -49.5 | 174.1 | 174.9 | 95.6 | 0 | 0 | 0 | 111 | W222 S233 L234 L237 I268 V269 Y270 K274 K275 N276 L277 F292 | W222-W272 HydrophobicContact CZ2-CB 4.46Å; W222-W272 AromaticContact CZ2-CD1 3.77Å; W222-W272 HydrophobicContact CZ2-CG 4.43Å; S233-W272 PolarHBondContact O-NE1 3.01Å; L234-W272 HydrophobicContact CD2-CZ2 4.36Å; L237-W272 HydrophobicContact CD1-CD2 3.57Å; L237-W272 HydrophobicContact CD1-CE3 4.14Å; L237-W272 HydrophobicContact CD1-CG 3.94Å; L237-W272 HydrophobicContact CD1-CH2 4.12Å; L237-W272 HydrophobicContact CD1-CZ2 3.52Å; L237-W272 HydrophobicContact CD1-CZ3 4.39Å; L237-W272 VanDerWaalsContact CD1-NE1 3.25Å; L237-W272 HydrophobicContact CD2-CB 4.35Å; L237-W272 HydrophobicContact CD2-CD2 4.27Å; L237-W272 HydrophobicContact CD2-CG 4.01Å; L237-W272 HydrophobicContact CG-CD2 4.12Å; L237-W272 HydrophobicContact CG-CG 3.94Å; I268-W272 VanDerWaalsContact O-CB 3.29Å; I268-W272 WeakPolarHBondContact O-CB 3.47Å; I268-W272 PolarHBondContact O-N 3.1Å; V269-W272 PolarHBondContact O-N 3Å; Y270-W272 VanDerWaalsContact C-N 3.34Å; Y270-W272 PolarHBondContact O-N 2.95Å; W272-K274 VanDerWaalsContact C-N 3.33Å; W272-K274 PolarHBondContact O-N 3.25Å; W272-K275 PolarHBondContact O-N 3.27Å; W272-N276 PolarHBondContact NE1-ND2 3.49Å; W272-N276 VanDerWaalsContact O-CB 3.31Å; W272-N276 WeakPolarHBondContact O-CB 3.23Å; W272-N276 PolarHBondContact O-N 3.4Å; W272-N276 PolarHBondContact O-ND2 2.85Å; W272-L277 HydrophobicContact CZ3-CD1 4.34Å; W272-F292 AromaticContact CZ2-CD1 3.99Å; W272-F292 HydrophobicContact CZ2-CD1 3.99Å; W272-F292 HydrophobicContact CZ2-CE1 4.12Å |
| 273 | S | 88 | Confident | 79.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 179.9 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | V269 Y270 L277 N324 | V269-S273 WeakPolarHBondContact O-CB 3.38Å; V269-S273 PolarHBondContact O-N 3.36Å; V269-S273 PolarHBondContact O-OG 3.17Å; Y270-S273 PolarHBondContact O-N 3.4Å; Y270-S273 PolarHBondContact O-OG 2.97Å; S273-L277 WeakPolarHBondContact O-CA 3.36Å; S273-L277 WeakPolarHBondContact O-CB 3.47Å; S273-L277 WeakPolarHBondContact O-CG 3.29Å; S273-L277 PolarHBondContact O-N 2.91Å; S273-N324 PolarHBondContact OG-ND2 3.47Å; S273-N324 VanDerWaalsContact OG-ND2 3.14Å |
| 274 | K | 86.1 | Confident | 77.9 | Confident | 107 Ų | 107 | 49.4 Ų | 49.4 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -63.2 | -46.3 | 176.4 | -175.2 | 176.1 | -177.9 | 177 | 0 | 112.6 | Y270 W272 L278 | Y270-K274 HydrophobicContact CE1-CD 4.22Å; Y270-K274 VanDerWaalsContact O-CB 3.28Å; Y270-K274 WeakPolarHBondContact O-CB 3.45Å; Y270-K274 PolarHBondContact O-N 2.67Å; W272-K274 VanDerWaalsContact C-N 3.33Å; W272-K274 PolarHBondContact O-N 3.25Å; K274-L278 HydrophobicContact CG-CD1 4.26Å |
| 275 | K | 83 | Confident | 75.9 | Confident | 54 Ų | 54 | 52.2 Ų | 52.2 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -70.3 | -42.1 | -180 | -78.4 | -171.3 | 170.9 | -172.1 | 0 | 112.3 | V214 I217 W222 S271 W272 | V214-K275 PolarHBondContact O-NZ 3.49Å; I217-K275 PolarHBondContact O-NZ 3.23Å; W222-K275 HydrophobicContact CD2-CD 4.43Å; S271-K275 WeakPolarHBondContact O-CB 3.29Å; S271-K275 PolarHBondContact O-N 3.45Å; W272-K275 PolarHBondContact O-N 3.27Å |
| 276 | N | 78.5 | Confident | 74 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -85.5 | -39.6 | -174.6 | -70.9 | -63 | 0 | 0 | 0 | 114 | W222 F223 W272 F292 | W222-N276 PolarHBondContact NE1-ND2 3Å; W222-N276 VanDerWaalsContact NE1-ND2 3.14Å; W222-N276 PolarHBondContact NE1-OD1 2.71Å; F223-N276 WeakPolarHBondContact CE1-OD1 3.36Å; W272-N276 PolarHBondContact NE1-ND2 3.49Å; W272-N276 VanDerWaalsContact O-CB 3.31Å; W272-N276 WeakPolarHBondContact O-CB 3.23Å; W272-N276 PolarHBondContact O-N 3.4Å; W272-N276 PolarHBondContact O-ND2 2.85Å; N276-F292 HydrophobicContact CB-CE1 3.97Å; N276-F292 HydrophobicContact CB-CZ 4.23Å |
| 277 | L | 78.4 | Confident | 72 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -94.4 | -33.8 | -166.8 | -54.3 | -177.6 | 0 | 0 | 0 | 113.1 | W272 S273 N324 I325 Y328 | W272-L277 HydrophobicContact CZ3-CD1 4.34Å; S273-L277 WeakPolarHBondContact O-CA 3.36Å; S273-L277 WeakPolarHBondContact O-CB 3.47Å; S273-L277 WeakPolarHBondContact O-CG 3.29Å; S273-L277 PolarHBondContact O-N 2.91Å; L277-N324 HydrophobicContact CB-CB 4.36Å; L277-N324 HydrophobicContact CD1-CB 4.07Å; L277-I325 HydrophobicContact CD1-CB 4.35Å; L277-I325 HydrophobicContact CD1-CG1 3.66Å; L277-Y328 HydrophobicContact CB-CD2 4.09Å; L277-Y328 HydrophobicContact CB-CG 4.22Å; L277-Y328 HydrophobicContact CD2-CD1 4.05Å; L277-Y328 HydrophobicContact CD2-CD2 3.82Å; L277-Y328 HydrophobicContact CD2-CE1 4.46Å; L277-Y328 HydrophobicContact CD2-CE2 4.24Å; L277-Y328 HydrophobicContact CD2-CG 3.72Å; L277-Y328 HydrophobicContact CG-CG 4.49Å; L277-Y328 WeakPolarHBondContact O-CD2 3.2Å |
| 278 | L | 71.4 | Confident | 70 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 40% | 0.398 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -87 | -35 | -179.9 | -65.1 | 176.1 | 0 | 0 | 0 | 113.2 | K274 P280 N324 | K274-L278 HydrophobicContact CG-CD1 4.26Å; L278-P280 VanDerWaalsContact C-CD 3.42Å; L278-P280 WeakPolarHBondContact O-CD 3.41Å; L278-N324 WeakPolarHBondContact CD1-OD1 3.19Å |
| 279 | N | 66.8 | Low | 68.2 | Low | 128 Ų | 128 | 67.4 Ų | 67.4 | 68% | 0.684 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -124 | 62.7 | -176.7 | -69.6 | -16.5 | 0 | 0 | 0 | 112.8 | C281 | N279-C281 PolarHBondContact O-N 3.07Š|
| 280 | P | 60.1 | Low | 66.6 | Low | 28 Ų | 28 | 75.8 Ų | 75.8 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | trans | -67.6 | 136 | 176.5 | 25.3 | -28.2 | 0 | 0 | 0 | 110.5 | L278 E282 L285 Y332 | L278-P280 VanDerWaalsContact C-CD 3.42Å; L278-P280 WeakPolarHBondContact O-CD 3.41Å; P280-E282 PolarHBondContact O-N 3.16Å; P280-L285 HydrophobicContact CB-CD1 3.88Å; P280-L285 HydrophobicContact CG-CD1 4.25Å; P280-Y332 HydrophobicContact CG-CE2 4.31Å; P280-Y332 WeakPolarHBondContact CG-OH 3.39Å | ||
| 281 | C | 55 | Low | 64.9 | Low | 68 Ų | 68 | 76 Ų | 76 | 46% | 0.459 | 38% | 0.38 | S | S | . | . | trans | -68.3 | 124.2 | 170.9 | -137.9 | 0 | 0 | 0 | 0 | 108.6 | F223 N279 N283 S284 | F223-C281 HydrophobicContact CD2-CB 4.24Å; F223-C281 HydrophobicContact CE2-CB 4.26Å; N279-C281 PolarHBondContact O-N 3.07Å; C281-N283 PolarHBondContact O-N 3.3Å; C281-N283 VanDerWaalsContact O-N 3.14Å; C281-S284 PolarHBondContact O-N 3Å; C281-S284 PolarHBondContact O-OG 3.41Å | ||
| 282 | E | 54.3 | Low | 63.5 | Low | 177 Ų | 177 | 74.9 Ų | 74.9 | 83% | 0.827 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -57.3 | -32.2 | -174.2 | -70.2 | -176.6 | 158.7 | 0 | 0 | 112.9 | P280 S284 | P280-E282 PolarHBondContact O-N 3.16Å; E282-S284 VanDerWaalsContact C-N 3.32Å; E282-S284 PolarHBondContact O-N 2.71Å |
| 283 | N | 51.9 | Low | 62.3 | Low | 165 Ų | 165 | 78.8 Ų | 78.8 | 88% | 0.882 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -76.3 | -7.9 | -175.8 | -73.5 | -13 | 0 | 0 | 0 | 115.3 | C281 | C281-N283 PolarHBondContact O-N 3.3Å; C281-N283 VanDerWaalsContact O-N 3.14Å |
| 284 | S | 49.7 | Very low | 61.1 | Low | 30 Ų | 30 | 82 Ų | 82 | 21% | 0.21 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -117.6 | 11 | -176.4 | 62.5 | 0 | 0 | 0 | 0 | 114.7 | C281 E282 N288 | C281-S284 PolarHBondContact O-N 3Å; C281-S284 PolarHBondContact O-OG 3.41Å; E282-S284 VanDerWaalsContact C-N 3.32Å; E282-S284 PolarHBondContact O-N 2.71Å; S284-N288 WeakPolarHBondContact CB-ND2 3.39Å; S284-N288 WeakPolarHBondContact O-CB 3.46Å; S284-N288 PolarHBondContact O-N 3.27Å; S284-N288 PolarHBondContact O-ND2 2.84Å |
| 285 | L | 49.1 | Very low | 60.2 | Low | 59 Ų | 59 | 78.1 Ų | 78.1 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | -168.8 | -138.6 | 89.3 | 0 | 0 | 0 | 114.3 | P280 T289 Y332 | P280-L285 HydrophobicContact CB-CD1 3.88Å; P280-L285 HydrophobicContact CG-CD1 4.25Å; L285-T289 WeakPolarHBondContact O-CG2 3.45Å; L285-T289 PolarHBondContact O-N 3.17Å; L285-T289 PolarHBondContact O-OG1 2.87Å; L285-Y332 HydrophobicContact CD1-CE1 4.22Å; L285-Y332 HydrophobicContact CD2-CD1 4.01Å; L285-Y332 HydrophobicContact CD2-CE1 3.71Å; L285-Y332 HydrophobicContact CG-CE1 4.4Å |
| 286 | E | 49.7 | Very low | 59.7 | Low | 185 Ų | 185 | 76 Ų | 76 | 86% | 0.864 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -73.9 | -35.8 | -175 | -77.3 | -172.9 | 160.6 | 0 | 0 | 113.4 | T289 | E286-T289 PolarHBondContact O-OG1 3.04Å |
| 287 | K | 50 | Low | 59.7 | Low | 177 Ų | 177 | 78.7 Ų | 78.7 | 77% | 0.77 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -78.6 | -31.9 | -179.2 | -80 | -175.2 | 176.9 | 178.8 | 0 | 112.7 | ||
| 288 | N | 49.3 | Very low | 59.8 | Low | 8 Ų | 8 | 80 Ų | 80 | 4% | 0.043 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -89.9 | -22.5 | -173.1 | -68.4 | -19.3 | 0 | 0 | 0 | 114.1 | S284 K290 Q291 F292 | S284-N288 WeakPolarHBondContact CB-ND2 3.39Å; S284-N288 WeakPolarHBondContact O-CB 3.46Å; S284-N288 PolarHBondContact O-N 3.27Å; S284-N288 PolarHBondContact O-ND2 2.84Å; N288-K290 PolarHBondContact O-N 3.39Å; N288-Q291 CarbonylContact O-C 3.59Å; N288-Q291 PolarHBondContact O-N 3.3Å; N288-Q291 VanDerWaalsContact O-N 3.08Å; N288-F292 VanDerWaalsContact C-CD2 3.46Å; N288-F292 HydrophobicContact CB-CD2 3.55Å; N288-F292 HydrophobicContact CB-CE2 3.24Å; N288-F292 HydrophobicContact CB-CZ 4.15Å; N288-F292 WeakPolarHBondContact O-CB 3.29Å; N288-F292 WeakPolarHBondContact O-CD2 3.36Å; N288-F292 WeakPolarHBondContact O-CG 3.38Å; N288-F292 PolarHBondContact O-N 2.84Å |
| 289 | T | 53.3 | Low | 60.6 | Low | 43 Ų | 43 | 76.4 Ų | 76.4 | 26% | 0.264 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -54.6 | -48.5 | -177.9 | 24.7 | 0 | 0 | 0 | 0 | 112.6 | L285 E286 Q291 F292 D293 | L285-T289 WeakPolarHBondContact O-CG2 3.45Å; L285-T289 PolarHBondContact O-N 3.17Å; L285-T289 PolarHBondContact O-OG1 2.87Å; E286-T289 PolarHBondContact O-OG1 3.04Å; T289-Q291 VanDerWaalsContact C-N 3.32Å; T289-Q291 PolarHBondContact O-N 3.01Å; T289-F292 PolarHBondContact O-N 2.87Å; T289-D293 PolarHBondContact O-N 2.91Å |
| 290 | K | 57.2 | Low | 61.4 | Low | 176 Ų | 176 | 70.3 Ų | 70.3 | 77% | 0.765 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.5 | -34.5 | 177.3 | -70.8 | -171.6 | 179.4 | -177.2 | 0 | 113.6 | N288 V294 | N288-K290 PolarHBondContact O-N 3.39Å; K290-V294 WeakPolarHBondContact O-CG2 3.4Å |
| 291 | Q | 54.7 | Low | 62.6 | Low | 73 Ų | 73 | 71.8 Ų | 71.8 | 34% | 0.341 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -80.7 | -27.4 | 177.8 | -73.1 | -173.2 | -19.8 | 0 | 0 | 112.5 | L234 N288 T289 V294 | L234-Q291 HydrophobicContact CD1-CB 3.75Å; N288-Q291 CarbonylContact O-C 3.59Å; N288-Q291 PolarHBondContact O-N 3.3Å; N288-Q291 VanDerWaalsContact O-N 3.08Å; T289-Q291 VanDerWaalsContact C-N 3.32Å; T289-Q291 PolarHBondContact O-N 3.01Å; Q291-V294 WeakPolarHBondContact O-CB 3.5Å |
| 292 | F | 59.5 | Low | 64.2 | Low | 10 Ų | 10 | 68.8 Ų | 68.8 | 4% | 0.044 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.1 | -43.5 | 178 | -82.2 | -57.6 | 0 | 0 | 0 | 112.1 | F223 L234 W272 N276 N288 T289 V294 F295 T296 | F223-F292 HydrophobicContact CE1-CZ 4.44Å; L234-F292 HydrophobicContact CD2-CD1 4.31Å; L234-F292 HydrophobicContact CD2-CE1 4.41Å; W272-F292 AromaticContact CZ2-CD1 3.99Å; W272-F292 HydrophobicContact CZ2-CD1 3.99Å; W272-F292 HydrophobicContact CZ2-CE1 4.12Å; N276-F292 HydrophobicContact CB-CE1 3.97Å; N276-F292 HydrophobicContact CB-CZ 4.23Å; N288-F292 VanDerWaalsContact C-CD2 3.46Å; N288-F292 HydrophobicContact CB-CD2 3.55Å; N288-F292 HydrophobicContact CB-CE2 3.24Å; N288-F292 HydrophobicContact CB-CZ 4.15Å; N288-F292 WeakPolarHBondContact O-CB 3.29Å; N288-F292 WeakPolarHBondContact O-CD2 3.36Å; N288-F292 WeakPolarHBondContact O-CG 3.38Å; N288-F292 PolarHBondContact O-N 2.84Å; T289-F292 PolarHBondContact O-N 2.87Å; F292-V294 PolarHBondContact O-N 3.29Å; F292-F295 PolarHBondContact O-N 3.38Å; F292-T296 PolarHBondContact O-N 3.22Å; F292-T296 VanDerWaalsContact O-N 3.16Å; F292-T296 PolarHBondContact O-OG1 3.43Å |
| 293 | D | 62.5 | Low | 65.8 | Low | 83 Ų | 83 | 60.4 Ų | 60.4 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.5 | -34.6 | 179.2 | -71.3 | -25.1 | 0 | 0 | 0 | 111.7 | T289 T296 | T289-D293 PolarHBondContact O-N 2.91Å; D293-T296 PolarHBondContact O-N 2.96Å |
| 294 | V | 63 | Low | 67.3 | Low | 69 Ų | 69 | 52.9 Ų | 52.9 | 42% | 0.418 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.2 | -51.5 | 178.2 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | V244 K290 Q291 F292 T296 | V244-V294 HydrophobicContact CB-CG1 3.84Å; V244-V294 HydrophobicContact CG1-CG1 4.14Å; V244-V294 HydrophobicContact CG2-CB 4.36Å; V244-V294 HydrophobicContact CG2-CG1 3.32Å; V244-V294 WeakPolarHBondContact CG2-O 3.45Å; K290-V294 WeakPolarHBondContact O-CG2 3.4Å; Q291-V294 WeakPolarHBondContact O-CB 3.5Å; F292-V294 PolarHBondContact O-N 3.29Å; V294-T296 PolarHBondContact O-N 3.42Å |
| 295 | F | 67.1 | Low | 68.9 | Low | 25 Ų | 25 | 54.4 Ų | 54.4 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -81.2 | -11.6 | -178.5 | -75.9 | -93.8 | 0 | 0 | 0 | 114.8 | L234 L237 F242 F292 N297 P298 V299 | L234-F295 HydrophobicContact CB-CD2 4.27Å; L234-F295 HydrophobicContact CB-CE2 3.93Å; L234-F295 HydrophobicContact CB-CZ 4.17Å; L234-F295 HydrophobicContact CD1-CD2 4.09Å; L234-F295 HydrophobicContact CD1-CE2 4.05Å; L234-F295 HydrophobicContact CD2-CB 4.14Å; L234-F295 HydrophobicContact CD2-CD2 3.64Å; L234-F295 HydrophobicContact CD2-CE2 4.18Å; L234-F295 HydrophobicContact CD2-CG 3.91Å; L234-F295 HydrophobicContact CG-CD2 4.2Å; L234-F295 HydrophobicContact CG-CE2 4.26Å; L237-F295 HydrophobicContact CB-CD1 4.3Å; L237-F295 HydrophobicContact CD1-CB 4.27Å; L237-F295 HydrophobicContact CD1-CD1 4.48Å; F242-F295 WeakPolarHBondContact O-CD1 3.31Å; F242-F295 WeakPolarHBondContact O-CE1 3.37Å; F292-F295 PolarHBondContact O-N 3.38Å; F295-N297 VanDerWaalsContact C-N 3.33Å; F295-N297 PolarHBondContact O-N 3.49Å; F295-P298 WeakPolarHBondContact O-CD 3.31Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å |
| 296 | T | 72.4 | Confident | 70.7 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.6 | -33.7 | -176.6 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | F292 D293 V294 V299 L300 I325 Y352 | F292-T296 PolarHBondContact O-N 3.22Å; F292-T296 VanDerWaalsContact O-N 3.16Å; F292-T296 PolarHBondContact O-OG1 3.43Å; D293-T296 PolarHBondContact O-N 2.96Å; V294-T296 PolarHBondContact O-N 3.42Å; T296-V299 PolarHBondContact O-N 3.01Å; T296-L300 VanDerWaalsContact O-CB 3.26Å; T296-L300 WeakPolarHBondContact O-CB 3.37Å; T296-L300 PolarHBondContact O-N 3.48Å; T296-I325 HydrophobicContact CG2-CB 4.42Å; T296-I325 HydrophobicContact CG2-CD1 3.94Å; T296-I325 HydrophobicContact CG2-CG1 3.99Å; T296-I325 HydrophobicContact CG2-CG2 3.54Å; T296-Y352 WeakPolarHBondContact CG2-OH 3.32Å |
| 297 | N | 77.5 | Confident | 72.2 | Confident | 58 Ų | 58 | 44.3 Ų | 44.3 | 31% | 0.31 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64 | -52.3 | 179.9 | -81.6 | -6.3 | 0 | 0 | 0 | 113.6 | F295 V299 L300 T301 | F295-N297 VanDerWaalsContact C-N 3.33Å; F295-N297 PolarHBondContact O-N 3.49Å; N297-V299 VanDerWaalsContact C-N 3.27Å; N297-V299 PolarHBondContact O-N 2.74Å; N297-L300 WeakPolarHBondContact O-CB 3.28Å; N297-L300 PolarHBondContact O-N 3.37Å; N297-T301 PolarHBondContact O-N 3.36Å; N297-T301 PolarHBondContact O-OG1 3.17Å; N297-T301 VanDerWaalsContact O-OG1 3.06Å |
| 298 | P | 81.9 | Confident | 73.3 | Confident | 34 Ų | 34 | 38.3 Ų | 38.3 | 22% | 0.221 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.1 | -39.9 | 175.1 | -26.8 | 32.7 | 0 | 0 | 0 | 113.8 | F242 V244 F295 Y302 | F242-P298 HydrophobicContact CB-CB 4.33Å; F242-P298 HydrophobicContact CD1-CB 4.32Å; V244-P298 HydrophobicContact CG2-CG 4.1Å; F295-P298 WeakPolarHBondContact O-CD 3.31Å; P298-Y302 WeakPolarHBondContact O-CB 3.43Å; P298-Y302 PolarHBondContact O-N 3.1Å; P298-Y302 VanDerWaalsContact O-N 3.08Å |
| 299 | V | 87.1 | Confident | 74.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.6 | -41.4 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | L237 F242 V269 F295 T296 N297 Y302 C303 T321 I325 | L237-V299 HydrophobicContact CD1-CG2 4.24Å; L237-V299 HydrophobicContact CD2-CG2 4.43Å; F242-V299 HydrophobicContact CB-CG2 4.46Å; F242-V299 HydrophobicContact CD1-CG2 4.16Å; F242-V299 HydrophobicContact CG-CG2 4.27Å; V269-V299 HydrophobicContact CG1-CG1 3.48Å; V269-V299 VanDerWaalsContact CG1-CG1 3.48Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; T296-V299 PolarHBondContact O-N 3.01Å; N297-V299 VanDerWaalsContact C-N 3.27Å; N297-V299 PolarHBondContact O-N 2.74Å; V299-Y302 PolarHBondContact O-N 3.22Å; V299-C303 PolarHBondContact O-N 2.82Å; V299-C303 PolarHBondContact O-SG 3.31Å; V299-T321 HydrophobicContact CG1-CG2 3.9Å; V299-I325 HydrophobicContact CG1-CD1 4.17Å |
| 300 | L | 84.9 | Confident | 75.4 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -51.2 | 176.4 | -179.1 | 73.6 | 0 | 0 | 0 | 110.7 | T296 N297 Y302 C303 I304 I322 I356 Q359 | T296-L300 VanDerWaalsContact O-CB 3.26Å; T296-L300 WeakPolarHBondContact O-CB 3.37Å; T296-L300 PolarHBondContact O-N 3.48Å; N297-L300 WeakPolarHBondContact O-CB 3.28Å; N297-L300 PolarHBondContact O-N 3.37Å; L300-Y302 VanDerWaalsContact C-N 3.26Å; L300-Y302 PolarHBondContact O-N 3.05Å; L300-C303 PolarHBondContact O-N 3.23Å; L300-I304 HydrophobicContact CD1-CD1 4.3Å; L300-I304 HydrophobicContact CD2-CD1 4.43Å; L300-I304 HydrophobicContact CG-CD1 3.91Å; L300-I304 HydrophobicContact CG-CG1 4.47Å; L300-I304 VanDerWaalsContact O-CG1 3.32Å; L300-I304 WeakPolarHBondContact O-CG1 3.31Å; L300-I304 PolarHBondContact O-N 3.32Å; L300-I322 HydrophobicContact CD1-CD1 4.16Å; L300-I322 HydrophobicContact CD1-CG1 4.11Å; L300-I356 HydrophobicContact CD1-CG1 4.43Å; L300-I356 HydrophobicContact CD1-CG2 4.04Å; L300-I356 HydrophobicContact CD2-CB 4.31Å; L300-I356 HydrophobicContact CD2-CD1 4.41Å; L300-I356 HydrophobicContact CD2-CG1 3.66Å; L300-I356 HydrophobicContact CD2-CG2 4.34Å; L300-Q359 VanDerWaalsContact CD2-OE1 3.3Å |
| 301 | T | 85 | Confident | 76 | Confident | 58 Ų | 58 | 34.6 Ų | 34.6 | 36% | 0.356 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -53.9 | -45.2 | 176.6 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | N297 C303 I304 D305 | N297-T301 PolarHBondContact O-N 3.36Å; N297-T301 PolarHBondContact O-OG1 3.17Å; N297-T301 VanDerWaalsContact O-OG1 3.06Å; T301-C303 PolarHBondContact O-N 3.17Å; T301-I304 PolarHBondContact O-N 2.76Å; T301-D305 PolarHBondContact O-N 3.31Å |
| 302 | Y | 87.8 | Confident | 76.8 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 175.8 | 169.8 | -95.5 | 0 | 0 | 0 | 113.4 | F242 N262 Q265 S266 V269 P298 V299 L300 I304 D305 M306 | F242-Y302 HydrophobicContact CE1-CD1 4.11Å; F242-Y302 HydrophobicContact CE1-CD2 4.05Å; F242-Y302 AromaticContact CE1-CG 3.64Å; F242-Y302 HydrophobicContact CE1-CG 3.64Å; F242-Y302 HydrophobicContact CZ-CD1 4.05Å; F242-Y302 HydrophobicContact CZ-CD2 4.11Å; F242-Y302 HydrophobicContact CZ-CE1 4.43Å; F242-Y302 HydrophobicContact CZ-CE2 4.47Å; F242-Y302 AromaticContact CZ-CG 3.9Å; F242-Y302 HydrophobicContact CZ-CG 3.9Å; N262-Y302 PolarHBondContact O-OH 3.04Å; Q265-Y302 HydrophobicContact CB-CE2 4.22Å; S266-Y302 WeakPolarHBondContact CB-OH 3.28Å; S266-Y302 PolarHBondContact N-OH 3.07Å; S266-Y302 VanDerWaalsContact N-OH 3.14Å; V269-Y302 HydrophobicContact CG2-CD1 4.41Å; V269-Y302 HydrophobicContact CG2-CE1 4.43Å; P298-Y302 WeakPolarHBondContact O-CB 3.43Å; P298-Y302 PolarHBondContact O-N 3.1Å; P298-Y302 VanDerWaalsContact O-N 3.08Å; V299-Y302 PolarHBondContact O-N 3.22Å; L300-Y302 VanDerWaalsContact C-N 3.26Å; L300-Y302 PolarHBondContact O-N 3.05Å; Y302-I304 VanDerWaalsContact C-N 3.29Å; Y302-I304 PolarHBondContact O-N 3.43Å; Y302-D305 PolarHBondContact O-N 2.76Å; Y302-M306 HydrophobicContact CD1-CG 4.36Å; Y302-M306 HydrophobicContact CD2-CE 4.39Å; Y302-M306 HydrophobicContact CD2-CG 4.22Å; Y302-M306 HydrophobicContact CE1-CG 3.92Å; Y302-M306 HydrophobicContact CE2-CE 4.03Å; Y302-M306 HydrophobicContact CE2-CG 3.78Å; Y302-M306 HydrophobicContact CE2-SD 4.26Å; Y302-M306 HydrophobicContact CG-CG 4.49Å; Y302-M306 WeakPolarHBondContact O-CB 3.44Å; Y302-M306 VanDerWaalsContact O-CG 3.27Å; Y302-M306 WeakPolarHBondContact O-CG 3.33Å; Y302-M306 PolarHBondContact O-N 2.64Å |
| 303 | C | 87.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -36.5 | 179.2 | -69 | 0 | 0 | 0 | 0 | 111.8 | V299 L300 T301 M306 R307 A318 I322 | V299-C303 PolarHBondContact O-N 2.82Å; V299-C303 PolarHBondContact O-SG 3.31Å; L300-C303 PolarHBondContact O-N 3.23Å; T301-C303 PolarHBondContact O-N 3.17Å; C303-M306 PolarHBondContact O-N 2.9Å; C303-R307 PolarHBondContact O-N 3.2Å; C303-A318 HydrophobicContact CB-CB 3.99Å; C303-I322 HydrophobicContact CB-CD1 3.67Å; C303-I322 HydrophobicContact CB-CG1 3.61Å |
| 304 | I | 84.2 | Confident | 78.7 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63 | -48.9 | 172.7 | -68.3 | 176.4 | 0 | 0 | 0 | 109.6 | L300 T301 Y302 M306 R307 I322 Q359 L360 | L300-I304 HydrophobicContact CD1-CD1 4.3Å; L300-I304 HydrophobicContact CD2-CD1 4.43Å; L300-I304 HydrophobicContact CG-CD1 3.91Å; L300-I304 HydrophobicContact CG-CG1 4.47Å; L300-I304 VanDerWaalsContact O-CG1 3.32Å; L300-I304 WeakPolarHBondContact O-CG1 3.31Å; L300-I304 PolarHBondContact O-N 3.32Å; T301-I304 PolarHBondContact O-N 2.76Å; Y302-I304 VanDerWaalsContact C-N 3.29Å; Y302-I304 PolarHBondContact O-N 3.43Å; I304-M306 PolarHBondContact O-N 3.34Å; I304-R307 VanDerWaalsContact O-CB 3.3Å; I304-R307 WeakPolarHBondContact O-CB 3.35Å; I304-R307 WeakPolarHBondContact O-CD 3.45Å; I304-R307 WeakPolarHBondContact O-CG 3.48Å; I304-R307 PolarHBondContact O-N 3.21Å; I304-R307 VanDerWaalsContact O-N 3.1Å; I304-R307 PolarHBondContact O-NH1 3.28Å; I304-I322 HydrophobicContact CG1-CD1 4.25Å; I304-Q359 HydrophobicContact CD1-CB 3.6Å; I304-L360 HydrophobicContact CD1-CD2 4.23Å; I304-L360 HydrophobicContact CD1-CG 4.29Å; I304-L360 HydrophobicContact CG1-CD2 3.83Å; I304-L360 HydrophobicContact CG1-CG 4.43Å |
| 305 | D | 83.6 | Confident | 79.6 | Confident | 62 Ų | 62 | 29.8 Ų | 29.8 | 33% | 0.332 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.1 | -33.5 | 176.6 | -68.2 | -23 | 0 | 0 | 0 | 112.5 | R256 T301 Y302 | R256-D305 IonicContact CZ-OD2 3.86Å; R256-D305 IonicContact NH1-OD2 3.97Å; R256-D305 PolarHBondContact NH1-OD2 2.72Å; R256-D305 IonicContact NH2-OD2 2.73Å; T301-D305 PolarHBondContact O-N 3.31Å; Y302-D305 PolarHBondContact O-N 2.76Å |
| 306 | M | 86.3 | Confident | 80.5 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 5% | 0.054 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -83.3 | -4.9 | 179.7 | -68.9 | -54.2 | 119.4 | 0 | 0 | 114.8 | N262 Y302 C303 I304 G308 N309 I314 A318 | N262-M306 HydrophobicContact CB-SD 4.23Å; Y302-M306 HydrophobicContact CD1-CG 4.36Å; Y302-M306 HydrophobicContact CD2-CE 4.39Å; Y302-M306 HydrophobicContact CD2-CG 4.22Å; Y302-M306 HydrophobicContact CE1-CG 3.92Å; Y302-M306 HydrophobicContact CE2-CE 4.03Å; Y302-M306 HydrophobicContact CE2-CG 3.78Å; Y302-M306 HydrophobicContact CE2-SD 4.26Å; Y302-M306 HydrophobicContact CG-CG 4.49Å; Y302-M306 WeakPolarHBondContact O-CB 3.44Å; Y302-M306 VanDerWaalsContact O-CG 3.27Å; Y302-M306 WeakPolarHBondContact O-CG 3.33Å; Y302-M306 PolarHBondContact O-N 2.64Å; C303-M306 PolarHBondContact O-N 2.9Å; I304-M306 PolarHBondContact O-N 3.34Å; M306-G308 PolarHBondContact O-N 3.35Å; M306-N309 WeakPolarHBondContact O-CB 3.19Å; M306-N309 PolarHBondContact O-N 3.21Å; M306-N309 HydrophobicContact SD-CB 4.34Å; M306-N309 PolarHBondContact SD-ND2 3.08Å; M306-N309 VanDerWaalsContact SD-ND2 3.37Å; M306-I314 HydrophobicContact CB-CG2 3.86Å; M306-I314 HydrophobicContact CG-CG2 3.86Å; M306-I314 HydrophobicContact SD-CG2 3.86Å; M306-A318 HydrophobicContact CB-CB 4.06Å |
| 307 | R | 80.7 | Confident | 81.2 | Confident | 22 Ų | 22 | 34.9 Ų | 34.9 | 8% | 0.083 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -58 | -36.3 | -177.3 | 76.2 | -165.1 | 176.6 | -92.2 | 12.7 | 113.3 | C303 I304 R315 D363 G369 T370 M373 | C303-R307 PolarHBondContact O-N 3.2Å; I304-R307 VanDerWaalsContact O-CB 3.3Å; I304-R307 WeakPolarHBondContact O-CB 3.35Å; I304-R307 WeakPolarHBondContact O-CD 3.45Å; I304-R307 WeakPolarHBondContact O-CG 3.48Å; I304-R307 PolarHBondContact O-N 3.21Å; I304-R307 VanDerWaalsContact O-N 3.1Å; I304-R307 PolarHBondContact O-NH1 3.28Å; R307-R315 WeakPolarHBondContact O-CD 3.46Å; R307-R315 WeakPolarHBondContact O-CG 3.47Å; R307-D363 IonicContact CZ-OD2 3.54Å; R307-D363 IonicContact NH1-OD2 2.78Å; R307-D363 IonicContact NH2-OD2 2.85Å; R307-D363 PolarHBondContact NH2-OD2 3.39Å; R307-G369 WeakPolarHBondContact O-CA 3.49Å; R307-T370 PolarHBondContact NE-OG1 3.45Å; R307-M373 HydrophobicContact CB-CE 3.89Å; R307-M373 HydrophobicContact CB-SD 3.77Å |
| 308 | G | 73.9 | Confident | 81.7 | Confident | 50 Ų | 50 | 32.1 Ų | 32.1 | 52% | 0.515 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -91.7 | 2.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | M306 Y310 | M306-G308 PolarHBondContact O-N 3.35Å; G308-Y310 PolarHBondContact O-N 3.45Å |
| 309 | N | 78.1 | Confident | 82 | Confident | 19 Ų | 19 | 31.2 Ų | 31.2 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | trans | -58.7 | 139.9 | -174.5 | -166.7 | -62.6 | 0 | 0 | 0 | 110.6 | M306 I311 I314 R315 | M306-N309 WeakPolarHBondContact O-CB 3.19Å; M306-N309 PolarHBondContact O-N 3.21Å; M306-N309 HydrophobicContact SD-CB 4.34Å; M306-N309 PolarHBondContact SD-ND2 3.08Å; M306-N309 VanDerWaalsContact SD-ND2 3.37Å; N309-I311 PolarHBondContact O-N 3.02Å; N309-I311 PolarHBondContact OD1-N 3.11Å; N309-I314 HydrophobicContact CB-CB 4.37Å; N309-I314 HydrophobicContact CB-CG2 4.07Å; N309-R315 HydrophobicContact CB-CG 4.16Å; N309-R315 WeakPolarHBondContact O-CD 3.22Å; N309-R315 WeakPolarHBondContact O-CG 3.44Å; N309-R315 PolarHBondContact O-NE 3.22Å; N309-R315 PolarHBondContact O-NH1 3.41Å | ||
| 310 | Y | 67.4 | Low | 82 | Confident | 96 Ų | 96 | 33.1 Ų | 33.1 | 38% | 0.376 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -72.7 | -13.8 | -176.9 | 59.9 | -92.7 | 0 | 0 | 0 | 113.5 | S259 G308 V1266 | S259-Y310 WeakPolarHBondContact CB-OH 3.21Å; G308-Y310 PolarHBondContact O-N 3.45Å; Y310-V1266 HydrophobicContact CD2-CB 3.47Å; Y310-V1266 VanDerWaalsContact CD2-CB 3.47Å; Y310-V1266 HydrophobicContact CD2-CG1 4.48Å; Y310-V1266 HydrophobicContact CD2-CG2 3.53Å; Y310-V1266 HydrophobicContact CE2-CB 3.75Å; Y310-V1266 HydrophobicContact CE2-CG1 4.33Å; Y310-V1266 HydrophobicContact CE2-CG2 4.13Å; Y310-V1266 HydrophobicContact CG-CB 4.27Å; Y310-V1266 HydrophobicContact CG-CG2 3.81Å |
| 311 | I | 71.7 | Confident | 82.3 | Confident | 34 Ų | 34 | 33 Ų | 33 | 17% | 0.174 | 18% | 0.178 | C | C | . | . | trans | -91.6 | 115.8 | 176.7 | -57.6 | 171.7 | 0 | 0 | 0 | 110.1 | N309 A313 I314 R315 | N309-I311 PolarHBondContact O-N 3.02Å; N309-I311 PolarHBondContact OD1-N 3.11Å; I311-A313 VanDerWaalsContact C-N 3.3Å; I311-A313 HydrophobicContact CG2-CB 4.09Å; I311-A313 PolarHBondContact O-N 3.49Å; I311-I314 HydrophobicContact CB-CB 4.29Å; I311-I314 HydrophobicContact CB-CD1 3.89Å; I311-I314 HydrophobicContact CB-CG1 3.9Å; I311-I314 HydrophobicContact CD1-CD1 3.74Å; I311-I314 HydrophobicContact CG1-CD1 4.29Å; I311-I314 HydrophobicContact CG2-CD1 4.29Å; I311-I314 HydrophobicContact CG2-CG1 3.93Å; I311-I314 WeakPolarHBondContact O-CB 3.4Å; I311-I314 PolarHBondContact O-N 2.9Å; I311-I314 VanDerWaalsContact O-N 3.07Å; I311-R315 PolarHBondContact O-N 2.92Å | ||
| 312 | D | 71.2 | Confident | 82.5 | Confident | 30 Ų | 30 | 30.5 Ų | 30.5 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.1 | -43.3 | 177.6 | -93.1 | 23.8 | 0 | 0 | 0 | 113.2 | I314 R315 Y316 Q1265 | D312-I314 PolarHBondContact O-N 3.39Å; D312-R315 PolarHBondContact O-N 3.49Å; D312-R315 IonicContact OD1-CZ 3.41Å; D312-R315 IonicContact OD1-NE 3.52Å; D312-R315 IonicContact OD1-NH2 3.52Å; D312-R315 PolarHBondContact OD1-NH2 2.92Å; D312-Y316 HydrophobicContact CB-CD2 3.9Å; D312-Y316 HydrophobicContact CB-CE2 3.6Å; D312-Y316 WeakPolarHBondContact O-CB 2.9Å; D312-Y316 WeakPolarHBondContact O-CD2 3.28Å; D312-Y316 PolarHBondContact O-N 3.28Å; D312-Y316 WeakPolarHBondContact OD2-CE2 3.34Å; D312-Y316 PolarHBondContact OD2-OH 3.07Å; D312-Q1265 PolarHBondContact OD1-NE2 3.45Å; D312-Q1265 PolarHBondContact OD2-NE2 3.34Å |
| 313 | A | 76.8 | Confident | 82.5 | Confident | 46 Ų | 46 | 31.5 Ų | 31.5 | 38% | 0.38 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.2 | -36.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L263 I311 S317 | L263-A313 HydrophobicContact CD1-CB 3.95Å; I311-A313 VanDerWaalsContact C-N 3.3Å; I311-A313 HydrophobicContact CG2-CB 4.09Å; I311-A313 PolarHBondContact O-N 3.49Å; A313-S317 WeakPolarHBondContact O-CB 3.4Å; A313-S317 PolarHBondContact O-N 3.4Å; A313-S317 PolarHBondContact O-OG 3.46Å |
| 314 | I | 84.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.5 | -50.2 | 176.2 | -58.8 | -177.9 | 0 | 0 | 0 | 109.6 | N262 L263 M306 N309 I311 D312 Y316 S317 A318 | N262-I314 HydrophobicContact CB-CD1 3.83Å; L263-I314 HydrophobicContact CB-CD1 4.1Å; L263-I314 HydrophobicContact CB-CG1 4.23Å; L263-I314 HydrophobicContact CD1-CG1 3.83Å; M306-I314 HydrophobicContact CB-CG2 3.86Å; M306-I314 HydrophobicContact CG-CG2 3.86Å; M306-I314 HydrophobicContact SD-CG2 3.86Å; N309-I314 HydrophobicContact CB-CB 4.37Å; N309-I314 HydrophobicContact CB-CG2 4.07Å; I311-I314 HydrophobicContact CB-CB 4.29Å; I311-I314 HydrophobicContact CB-CD1 3.89Å; I311-I314 HydrophobicContact CB-CG1 3.9Å; I311-I314 HydrophobicContact CD1-CD1 3.74Å; I311-I314 HydrophobicContact CG1-CD1 4.29Å; I311-I314 HydrophobicContact CG2-CD1 4.29Å; I311-I314 HydrophobicContact CG2-CG1 3.93Å; I311-I314 WeakPolarHBondContact O-CB 3.4Å; I311-I314 PolarHBondContact O-N 2.9Å; I311-I314 VanDerWaalsContact O-N 3.07Å; D312-I314 PolarHBondContact O-N 3.39Å; I314-Y316 PolarHBondContact O-N 3.39Å; I314-S317 PolarHBondContact O-N 3.4Å; I314-A318 VanDerWaalsContact O-CB 3.31Å; I314-A318 WeakPolarHBondContact O-CB 3.44Å; I314-A318 PolarHBondContact O-N 2.97Å |
| 315 | R | 83 | Confident | 82.6 | Confident | 59 Ų | 59 | 32.1 Ų | 32.1 | 22% | 0.223 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -44.9 | 178.9 | -73 | -165.5 | -68.1 | -128.1 | 8.8 | 113 | R307 N309 I311 D312 S319 | R307-R315 WeakPolarHBondContact O-CD 3.46Å; R307-R315 WeakPolarHBondContact O-CG 3.47Å; N309-R315 HydrophobicContact CB-CG 4.16Å; N309-R315 WeakPolarHBondContact O-CD 3.22Å; N309-R315 WeakPolarHBondContact O-CG 3.44Å; N309-R315 PolarHBondContact O-NE 3.22Å; N309-R315 PolarHBondContact O-NH1 3.41Å; I311-R315 PolarHBondContact O-N 2.92Å; D312-R315 PolarHBondContact O-N 3.49Å; D312-R315 IonicContact OD1-CZ 3.41Å; D312-R315 IonicContact OD1-NE 3.52Å; D312-R315 IonicContact OD1-NH2 3.52Å; D312-R315 PolarHBondContact OD1-NH2 2.92Å; R315-S319 VanDerWaalsContact O-CB 3.31Å; R315-S319 WeakPolarHBondContact O-CB 3.41Å; R315-S319 PolarHBondContact O-N 3.24Å; R315-S319 PolarHBondContact O-OG 3.22Å |
| 316 | Y | 84.6 | Confident | 82.6 | Confident | 121 Ų | 121 | 29.2 Ų | 29.2 | 48% | 0.475 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.7 | -44 | 178.4 | -66.9 | -47.1 | 0 | 0 | 0 | 111 | D312 I314 A318 S319 D320 | D312-Y316 HydrophobicContact CB-CD2 3.9Å; D312-Y316 HydrophobicContact CB-CE2 3.6Å; D312-Y316 WeakPolarHBondContact O-CB 2.9Å; D312-Y316 WeakPolarHBondContact O-CD2 3.28Å; D312-Y316 PolarHBondContact O-N 3.28Å; D312-Y316 WeakPolarHBondContact OD2-CE2 3.34Å; D312-Y316 PolarHBondContact OD2-OH 3.07Å; I314-Y316 PolarHBondContact O-N 3.39Å; Y316-A318 VanDerWaalsContact C-N 3.32Å; Y316-A318 PolarHBondContact O-N 3.48Å; Y316-S319 PolarHBondContact O-N 3.39Å; Y316-D320 VanDerWaalsContact O-CB 3.31Å; Y316-D320 WeakPolarHBondContact O-CB 3.38Å; Y316-D320 PolarHBondContact O-N 3.05Å |
| 317 | S | 87.7 | Confident | 82.4 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 175.8 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | A313 I314 T321 | A313-S317 WeakPolarHBondContact O-CB 3.4Å; A313-S317 PolarHBondContact O-N 3.4Å; A313-S317 PolarHBondContact O-OG 3.46Å; I314-S317 PolarHBondContact O-N 3.4Å; S317-T321 VanDerWaalsContact O-CB 3.31Å; S317-T321 WeakPolarHBondContact O-CB 3.09Å; S317-T321 PolarHBondContact O-N 2.98Å; S317-T321 PolarHBondContact O-OG1 2.92Å |
| 318 | A | 88.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C303 M306 I314 Y316 T321 I322 M373 | C303-A318 HydrophobicContact CB-CB 3.99Å; M306-A318 HydrophobicContact CB-CB 4.06Å; I314-A318 VanDerWaalsContact O-CB 3.31Å; I314-A318 WeakPolarHBondContact O-CB 3.44Å; I314-A318 PolarHBondContact O-N 2.97Å; Y316-A318 VanDerWaalsContact C-N 3.32Å; Y316-A318 PolarHBondContact O-N 3.48Å; A318-T321 PolarHBondContact O-N 3.45Å; A318-I322 WeakPolarHBondContact O-CG1 3.4Å; A318-I322 PolarHBondContact O-N 2.81Å; A318-M373 HydrophobicContact CB-CE 4.32Å |
| 319 | S | 87.3 | Confident | 82.9 | Confident | 15 Ų | 15 | 29.7 Ų | 29.7 | 11% | 0.105 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 177.6 | -60 | 0 | 0 | 0 | 0 | 112.4 | R315 Y316 T321 I322 E323 | R315-S319 VanDerWaalsContact O-CB 3.31Å; R315-S319 WeakPolarHBondContact O-CB 3.41Å; R315-S319 PolarHBondContact O-N 3.24Å; R315-S319 PolarHBondContact O-OG 3.22Å; Y316-S319 PolarHBondContact O-N 3.39Å; S319-T321 VanDerWaalsContact C-N 3.34Å; S319-I322 PolarHBondContact O-N 3.46Å; S319-E323 PolarHBondContact O-N 3.34Å |
| 320 | D | 88.3 | Confident | 82.9 | Confident | 39 Ų | 39 | 28.9 Ų | 28.9 | 21% | 0.209 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67 | -37.5 | 177 | -70.1 | -3.6 | 0 | 0 | 0 | 110.9 | Y270 Y316 E323 N324 R376 | Y270-D320 HydrophobicContact CD2-CB 3.84Å; Y270-D320 HydrophobicContact CE2-CB 3.67Å; Y316-D320 VanDerWaalsContact O-CB 3.31Å; Y316-D320 WeakPolarHBondContact O-CB 3.38Å; Y316-D320 PolarHBondContact O-N 3.05Å; D320-E323 PolarHBondContact O-N 3.5Å; D320-N324 PolarHBondContact O-N 3.46Å; D320-N324 PolarHBondContact O-ND2 3.11Å; D320-N324 PolarHBondContact O-OD1 3.5Å; D320-R376 IonicContact OD1-CZ 2.78Å; D320-R376 IonicContact OD1-NH1 3.96Å; D320-R376 PolarHBondContact OD1-NH1 3.21Å; D320-R376 IonicContact OD1-NH2 3.82Å; D320-R376 PolarHBondContact OD1-NH2 3.01Å |
| 321 | T | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | V269 Y270 V299 S317 A318 S319 E323 N324 I325 | V269-T321 HydrophobicContact CG1-CG2 3.37Å; Y270-T321 WeakPolarHBondContact CA-OG1 3.48Å; V299-T321 HydrophobicContact CG1-CG2 3.9Å; S317-T321 VanDerWaalsContact O-CB 3.31Å; S317-T321 WeakPolarHBondContact O-CB 3.09Å; S317-T321 PolarHBondContact O-N 2.98Å; S317-T321 PolarHBondContact O-OG1 2.92Å; A318-T321 PolarHBondContact O-N 3.45Å; S319-T321 VanDerWaalsContact C-N 3.34Å; T321-E323 VanDerWaalsContact C-N 3.33Å; T321-E323 PolarHBondContact O-N 2.96Å; T321-N324 WeakPolarHBondContact O-CB 3.24Å; T321-N324 PolarHBondContact O-N 3.28Å; T321-N324 VanDerWaalsContact O-N 3.17Å; T321-I325 HydrophobicContact CG2-CD1 4.08Å; T321-I325 WeakPolarHBondContact O-CG1 3.3Å; T321-I325 PolarHBondContact O-N 2.88Å |
| 322 | I | 88 | Confident | 83.5 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 175.8 | -71.2 | -174.6 | 0 | 0 | 0 | 111.1 | L300 C303 I304 A318 S319 N324 I325 I326 M373 | L300-I322 HydrophobicContact CD1-CD1 4.16Å; L300-I322 HydrophobicContact CD1-CG1 4.11Å; C303-I322 HydrophobicContact CB-CD1 3.67Å; C303-I322 HydrophobicContact CB-CG1 3.61Å; I304-I322 HydrophobicContact CG1-CD1 4.25Å; A318-I322 WeakPolarHBondContact O-CG1 3.4Å; A318-I322 PolarHBondContact O-N 2.81Å; S319-I322 PolarHBondContact O-N 3.46Å; I322-N324 VanDerWaalsContact C-N 3.31Å; I322-N324 PolarHBondContact O-N 2.92Å; I322-I325 PolarHBondContact O-N 3.47Å; I322-I326 HydrophobicContact CG2-CD1 3.57Å; I322-I326 HydrophobicContact CG2-CG1 4.25Å; I322-I326 WeakPolarHBondContact O-CD1 3.42Å; I322-I326 VanDerWaalsContact O-CG1 3.23Å; I322-I326 WeakPolarHBondContact O-CG1 3.16Å; I322-I326 PolarHBondContact O-N 3.16Å; I322-M373 HydrophobicContact CD1-CE 3.64Å; I322-M373 HydrophobicContact CD1-CG 4.1Å; I322-M373 HydrophobicContact CD1-SD 3.48Å; I322-M373 WeakPolarHBondContact CD1-SD 3.07Å |
| 323 | E | 87.6 | Confident | 83.7 | Confident | 27 Ų | 27 | 28.6 Ų | 28.6 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.1 | -42.4 | 174.6 | 175 | 163.6 | -152.6 | 0 | 0 | 111.7 | S319 D320 T321 I326 F327 R376 | S319-E323 PolarHBondContact O-N 3.34Å; D320-E323 PolarHBondContact O-N 3.5Å; T321-E323 VanDerWaalsContact C-N 3.33Å; T321-E323 PolarHBondContact O-N 2.96Å; E323-I326 PolarHBondContact O-N 3.1Å; E323-F327 HydrophobicContact CG-CD2 3.57Å; E323-F327 HydrophobicContact CG-CE2 3.27Å; E323-F327 HydrophobicContact CG-CZ 4.23Å; E323-F327 WeakPolarHBondContact O-CB 3.44Å; E323-F327 VanDerWaalsContact O-CD2 3.25Å; E323-F327 WeakPolarHBondContact O-CD2 3.35Å; E323-F327 PolarHBondContact O-N 2.73Å; E323-F327 WeakPolarHBondContact OE1-CE2 3.46Å; E323-R376 IonicContact OE2-CZ 3.52Å; E323-R376 IonicContact OE2-NE 2.71Å; E323-R376 PolarHBondContact OE2-NE 3.03Å; E323-R376 IonicContact OE2-NH2 3.81Å; E323-R376 PolarHBondContact OE2-NH2 3.25Å |
| 324 | N | 87.7 | Confident | 83.4 | Confident | 16 Ų | 16 | 32.5 Ų | 32.5 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 174.9 | -66.3 | -23.6 | 0 | 0 | 0 | 112.2 | S273 L277 L278 D320 T321 I322 F327 Y328 | S273-N324 PolarHBondContact OG-ND2 3.47Å; S273-N324 VanDerWaalsContact OG-ND2 3.14Å; L277-N324 HydrophobicContact CB-CB 4.36Å; L277-N324 HydrophobicContact CD1-CB 4.07Å; L278-N324 WeakPolarHBondContact CD1-OD1 3.19Å; D320-N324 PolarHBondContact O-N 3.46Å; D320-N324 PolarHBondContact O-ND2 3.11Å; D320-N324 PolarHBondContact O-OD1 3.5Å; T321-N324 WeakPolarHBondContact O-CB 3.24Å; T321-N324 PolarHBondContact O-N 3.28Å; T321-N324 VanDerWaalsContact O-N 3.17Å; I322-N324 VanDerWaalsContact C-N 3.31Å; I322-N324 PolarHBondContact O-N 2.92Å; N324-F327 PolarHBondContact O-N 3.43Å; N324-Y328 WeakPolarHBondContact O-CB 3.41Å; N324-Y328 PolarHBondContact O-N 3.29Å |
| 325 | I | 87.1 | Confident | 82.9 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 175.9 | -69.2 | 166.7 | 0 | 0 | 0 | 110.7 | L277 T296 V299 T321 I322 F327 Y328 H329 | L277-I325 HydrophobicContact CD1-CB 4.35Å; L277-I325 HydrophobicContact CD1-CG1 3.66Å; T296-I325 HydrophobicContact CG2-CB 4.42Å; T296-I325 HydrophobicContact CG2-CD1 3.94Å; T296-I325 HydrophobicContact CG2-CG1 3.99Å; T296-I325 HydrophobicContact CG2-CG2 3.54Å; V299-I325 HydrophobicContact CG1-CD1 4.17Å; T321-I325 HydrophobicContact CG2-CD1 4.08Å; T321-I325 WeakPolarHBondContact O-CG1 3.3Å; T321-I325 PolarHBondContact O-N 2.88Å; I322-I325 PolarHBondContact O-N 3.47Å; I325-F327 PolarHBondContact O-N 2.82Å; I325-Y328 PolarHBondContact O-N 3.24Å; I325-H329 WeakPolarHBondContact O-CB 3.44Å; I325-H329 PolarHBondContact O-N 3.16Å |
| 326 | I | 84.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.9 | -44.6 | 179.7 | -63 | 160 | 0 | 0 | 0 | 110.3 | I322 E323 Y328 H329 L330 F377 C380 | I322-I326 HydrophobicContact CG2-CD1 3.57Å; I322-I326 HydrophobicContact CG2-CG1 4.25Å; I322-I326 WeakPolarHBondContact O-CD1 3.42Å; I322-I326 VanDerWaalsContact O-CG1 3.23Å; I322-I326 WeakPolarHBondContact O-CG1 3.16Å; I322-I326 PolarHBondContact O-N 3.16Å; E323-I326 PolarHBondContact O-N 3.1Å; I326-Y328 PolarHBondContact O-N 3.42Å; I326-H329 PolarHBondContact O-N 3.36Å; I326-L330 HydrophobicContact CG2-CD1 3.75Å; I326-L330 HydrophobicContact CG2-CG 4.13Å; I326-L330 WeakPolarHBondContact O-CB 3.36Å; I326-L330 VanDerWaalsContact O-CG 3.25Å; I326-L330 WeakPolarHBondContact O-CG 3.32Å; I326-L330 PolarHBondContact O-N 3.35Å; I326-F377 HydrophobicContact CD1-CB 4.24Å; I326-F377 HydrophobicContact CD1-CD2 3.27Å; I326-F377 HydrophobicContact CD1-CE2 3.86Å; I326-F377 HydrophobicContact CD1-CG 4.05Å; I326-F377 HydrophobicContact CG1-CD2 4.06Å; I326-F377 HydrophobicContact CG1-CE2 4.14Å; I326-C380 HydrophobicContact CB-CB 4.37Å; I326-C380 HydrophobicContact CG2-CB 3.63Å |
| 327 | F | 81.7 | Confident | 81.7 | Confident | 52 Ų | 52 | 36 Ų | 36 | 23% | 0.228 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 178.6 | -82.6 | -46.8 | 0 | 0 | 0 | 113 | E323 N324 I325 K331 C380 K383 | E323-F327 HydrophobicContact CG-CD2 3.57Å; E323-F327 HydrophobicContact CG-CE2 3.27Å; E323-F327 HydrophobicContact CG-CZ 4.23Å; E323-F327 WeakPolarHBondContact O-CB 3.44Å; E323-F327 VanDerWaalsContact O-CD2 3.25Å; E323-F327 WeakPolarHBondContact O-CD2 3.35Å; E323-F327 PolarHBondContact O-N 2.73Å; E323-F327 WeakPolarHBondContact OE1-CE2 3.46Å; N324-F327 PolarHBondContact O-N 3.43Å; I325-F327 PolarHBondContact O-N 2.82Å; F327-K331 VanDerWaalsContact O-CB 3.27Å; F327-K331 WeakPolarHBondContact O-CB 3.38Å; F327-K331 PolarHBondContact O-N 3.26Å; F327-C380 HydrophobicContact CE1-CB 4.22Å; F327-C380 HydrophobicContact CZ-CB 4.34Å; F327-K383 HydrophobicContact CE1-CD 3.82Å; F327-K383 HydrophobicContact CZ-CD 3.81Å |
| 328 | Y | 82.2 | Confident | 80.6 | Confident | 19 Ų | 19 | 41 Ų | 41 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -49.5 | 174.6 | 179.3 | -91.6 | 0 | 0 | 0 | 111.1 | L277 N324 I325 I326 L330 K331 Y332 | L277-Y328 HydrophobicContact CB-CD2 4.09Å; L277-Y328 HydrophobicContact CB-CG 4.22Å; L277-Y328 HydrophobicContact CD2-CD1 4.05Å; L277-Y328 HydrophobicContact CD2-CD2 3.82Å; L277-Y328 HydrophobicContact CD2-CE1 4.46Å; L277-Y328 HydrophobicContact CD2-CE2 4.24Å; L277-Y328 HydrophobicContact CD2-CG 3.72Å; L277-Y328 HydrophobicContact CG-CG 4.49Å; L277-Y328 WeakPolarHBondContact O-CD2 3.2Å; N324-Y328 WeakPolarHBondContact O-CB 3.41Å; N324-Y328 PolarHBondContact O-N 3.29Å; I325-Y328 PolarHBondContact O-N 3.24Å; I326-Y328 PolarHBondContact O-N 3.42Å; Y328-L330 PolarHBondContact O-N 2.87Å; Y328-K331 WeakPolarHBondContact O-CA 3.49Å; Y328-K331 WeakPolarHBondContact O-CB 3.17Å; Y328-K331 PolarHBondContact O-N 2.94Å; Y328-Y332 HydrophobicContact CD1-CD2 4.16Å; Y328-Y332 AromaticContact CD2-CD2 3.54Å; Y328-Y332 HydrophobicContact CD2-CD2 3.54Å; Y328-Y332 AromaticContact CD2-CE2 3.43Å; Y328-Y332 HydrophobicContact CD2-CE2 3.43Å; Y328-Y332 VanDerWaalsContact CD2-CE2 3.43Å; Y328-Y332 HydrophobicContact CE1-CD2 4.05Å; Y328-Y332 AromaticContact CE2-CD2 3.43Å; Y328-Y332 HydrophobicContact CE2-CD2 3.43Å; Y328-Y332 VanDerWaalsContact CE2-CD2 3.43Å; Y328-Y332 AromaticContact CE2-CE2 3.35Å; Y328-Y332 HydrophobicContact CE2-CE2 3.35Å; Y328-Y332 AromaticContact CG-CD2 3.91Å; Y328-Y332 HydrophobicContact CG-CD2 3.91Å; Y328-Y332 HydrophobicContact CG-CE2 4.21Å; Y328-Y332 AromaticContact CZ-CD2 3.69Å; Y328-Y332 VanDerWaalsContact O-CD2 3.24Å; Y328-Y332 WeakPolarHBondContact O-CD2 3.27Å; Y328-Y332 PolarHBondContact O-N 2.88Å |
| 329 | H | 82.1 | Confident | 78.9 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 179.2 | -170 | 82.1 | 0 | 0 | 0 | 111.9 | I325 I326 K331 Y332 C333 C350 Y352 | I325-H329 WeakPolarHBondContact O-CB 3.44Å; I325-H329 PolarHBondContact O-N 3.16Å; I326-H329 PolarHBondContact O-N 3.36Å; H329-K331 PolarHBondContact O-N 3.26Å; H329-Y332 PolarHBondContact O-N 3.11Å; H329-C333 WeakPolarHBondContact NE2-CB 3.42Å; H329-C333 PolarHBondContact NE2-SG 3.44Å; H329-C333 VanDerWaalsContact NE2-SG 3.38Å; H329-C333 WeakPolarHBondContact O-CB 3.47Å; H329-C333 PolarHBondContact O-N 3.26Å; H329-C350 PolarHBondContact NE2-SG 3.09Å; H329-Y352 HydrophobicContact CB-CE1 4.48Å; H329-Y352 AromaticContact CD2-CD1 3.96Å; H329-Y352 AromaticContact CE1-CD1 3.33Å; H329-Y352 WeakPolarHBondContact CE1-CD1 3.49Å; H329-Y352 AromaticContact CE1-CG 3.83Å; H329-Y352 AromaticContact CG-CD1 3.7Å; H329-Y352 AromaticContact ND1-CD1 3.3Å; H329-Y352 VanDerWaalsContact ND1-CD1 3.3Å; H329-Y352 WeakPolarHBondContact ND1-CD1 3.38Å; H329-Y352 AromaticContact ND1-CE1 3.71Å; H329-Y352 AromaticContact NE2-CD1 3.75Å |
| 330 | L | 78 | Confident | 77.4 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -24.7 | 174 | -71.9 | 174.1 | 0 | 0 | 0 | 113.2 | I326 Y328 C336 L353 L381 K384 V386 | I326-L330 HydrophobicContact CG2-CD1 3.75Å; I326-L330 HydrophobicContact CG2-CG 4.13Å; I326-L330 WeakPolarHBondContact O-CB 3.36Å; I326-L330 VanDerWaalsContact O-CG 3.25Å; I326-L330 WeakPolarHBondContact O-CG 3.32Å; I326-L330 PolarHBondContact O-N 3.35Å; Y328-L330 PolarHBondContact O-N 2.87Å; L330-C336 HydrophobicContact CD2-CB 4.37Å; L330-L353 HydrophobicContact CD2-CD1 4.1Å; L330-L381 HydrophobicContact CD1-CD2 4.42Å; L330-L381 HydrophobicContact CD2-CD2 4.15Å; L330-K384 HydrophobicContact CB-CG 4.33Å; L330-K384 HydrophobicContact CD1-CB 4.45Å; L330-K384 HydrophobicContact CD1-CG 4.36Å; L330-V386 HydrophobicContact CD2-CB 4.32Å; L330-V386 HydrophobicContact CD2-CG2 4.04Å |
| 331 | K | 76.9 | Confident | 75.6 | Confident | 92 Ų | 92 | 54 Ų | 54 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -82.5 | -31.2 | 178.1 | -171.4 | 177.3 | 177.3 | -168.4 | 0 | 112.1 | F327 Y328 H329 R337 | F327-K331 VanDerWaalsContact O-CB 3.27Å; F327-K331 WeakPolarHBondContact O-CB 3.38Å; F327-K331 PolarHBondContact O-N 3.26Å; Y328-K331 WeakPolarHBondContact O-CA 3.49Å; Y328-K331 WeakPolarHBondContact O-CB 3.17Å; Y328-K331 PolarHBondContact O-N 2.94Å; H329-K331 PolarHBondContact O-N 3.26Å; K331-R337 PolarHBondContact O-NE 3.09Å; K331-R337 PolarHBondContact O-NH2 3.08Å |
| 332 | Y | 75.2 | Confident | 73.4 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 15% | 0.153 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -120.1 | -18.8 | -170 | -62.8 | -68.8 | 0 | 0 | 0 | 116.1 | P280 L285 Y328 H329 D334 | P280-Y332 HydrophobicContact CG-CE2 4.31Å; P280-Y332 WeakPolarHBondContact CG-OH 3.39Å; L285-Y332 HydrophobicContact CD1-CE1 4.22Å; L285-Y332 HydrophobicContact CD2-CD1 4.01Å; L285-Y332 HydrophobicContact CD2-CE1 3.71Å; L285-Y332 HydrophobicContact CG-CE1 4.4Å; Y328-Y332 HydrophobicContact CD1-CD2 4.16Å; Y328-Y332 AromaticContact CD2-CD2 3.54Å; Y328-Y332 HydrophobicContact CD2-CD2 3.54Å; Y328-Y332 AromaticContact CD2-CE2 3.43Å; Y328-Y332 HydrophobicContact CD2-CE2 3.43Å; Y328-Y332 VanDerWaalsContact CD2-CE2 3.43Å; Y328-Y332 HydrophobicContact CE1-CD2 4.05Å; Y328-Y332 AromaticContact CE2-CD2 3.43Å; Y328-Y332 HydrophobicContact CE2-CD2 3.43Å; Y328-Y332 VanDerWaalsContact CE2-CD2 3.43Å; Y328-Y332 AromaticContact CE2-CE2 3.35Å; Y328-Y332 HydrophobicContact CE2-CE2 3.35Å; Y328-Y332 AromaticContact CG-CD2 3.91Å; Y328-Y332 HydrophobicContact CG-CD2 3.91Å; Y328-Y332 HydrophobicContact CG-CE2 4.21Å; Y328-Y332 AromaticContact CZ-CD2 3.69Å; Y328-Y332 VanDerWaalsContact O-CD2 3.24Å; Y328-Y332 WeakPolarHBondContact O-CD2 3.27Å; Y328-Y332 PolarHBondContact O-N 2.88Å; H329-Y332 PolarHBondContact O-N 3.11Å; Y332-D334 PolarHBondContact O-N 3.48Å |
| 333 | C | 76.3 | Confident | 71.4 | Confident | 24 Ų | 24 | 65 Ų | 65 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | trans | -68.5 | 127.3 | 179.3 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | H329 E335 C336 R337 | H329-C333 WeakPolarHBondContact NE2-CB 3.42Å; H329-C333 PolarHBondContact NE2-SG 3.44Å; H329-C333 VanDerWaalsContact NE2-SG 3.38Å; H329-C333 WeakPolarHBondContact O-CB 3.47Å; H329-C333 PolarHBondContact O-N 3.26Å; C333-E335 PolarHBondContact O-N 3.02Å; C333-C336 HydrophobicContact CB-CB 3.93Å; C333-C336 PolarHBondContact O-N 3.39Å; C333-C336 VanDerWaalsContact O-N 3.12Å; C333-R337 WeakPolarHBondContact O-CG 3.36Å; C333-R337 PolarHBondContact O-N 3.03Å | ||
| 334 | D | 71 | Confident | 69.3 | Low | 127 Ų | 127 | 70 Ų | 70 | 68% | 0.679 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | -179.7 | -70.7 | -33.3 | 0 | 0 | 0 | 111.8 | Y332 C336 R337 Q338 | Y332-D334 PolarHBondContact O-N 3.48Å; D334-C336 PolarHBondContact O-N 3.3Å; D334-R337 PolarHBondContact O-N 3.24Å; D334-Q338 WeakPolarHBondContact O-CG 3.34Å; D334-Q338 PolarHBondContact O-N 2.81Å |
| 335 | E | 72.3 | Confident | 67.3 | Low | 105 Ų | 105 | 79 Ų | 79 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.8 | -35.2 | 175.4 | -61.9 | -173.7 | 160.6 | 0 | 0 | 111.6 | C333 C350 | C333-E335 PolarHBondContact O-N 3.02Å; E335-C350 VanDerWaalsContact OE2-CA 3.26Å; E335-C350 WeakPolarHBondContact OE2-CA 3.33Å |
| 336 | C | 72.9 | Confident | 65.2 | Low | 6 Ų | 6 | 82.7 Ų | 82.7 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -81.1 | -21.9 | -179.1 | -66.3 | 0 | 0 | 0 | 0 | 114.1 | L330 C333 D334 V386 | L330-C336 HydrophobicContact CD2-CB 4.37Å; C333-C336 HydrophobicContact CB-CB 3.93Å; C333-C336 PolarHBondContact O-N 3.39Å; C333-C336 VanDerWaalsContact O-N 3.12Å; D334-C336 PolarHBondContact O-N 3.3Å; C336-V386 VanDerWaalsContact CA-CG1 3.45Å; C336-V386 HydrophobicContact CB-CG1 3.8Å; C336-V386 HydrophobicContact CB-CG2 4.36Å; C336-V386 WeakPolarHBondContact O-CG1 3.31Å; C336-V386 WeakPolarHBondContact O-CG2 3.49Å |
| 337 | R | 69.4 | Low | 63.5 | Low | 143 Ų | 143 | 91.3 Ų | 91.3 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -84.9 | -23.2 | 178.6 | -79.1 | -179.3 | 168.2 | -168.1 | 1.3 | 113.2 | K331 C333 D334 P339 | K331-R337 PolarHBondContact O-NE 3.09Å; K331-R337 PolarHBondContact O-NH2 3.08Å; C333-R337 WeakPolarHBondContact O-CG 3.36Å; C333-R337 PolarHBondContact O-N 3.03Å; D334-R337 PolarHBondContact O-N 3.24Å; R337-P339 WeakPolarHBondContact O-CD 3.41Å |
| 338 | Q | 64.7 | Low | 61.9 | Low | 123 Ų | 123 | 94 Ų | 94 | 58% | 0.575 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -54.7 | 120.9 | 176.7 | -70.7 | -91.8 | -18.2 | 0 | 0 | 109.2 | D334 | D334-Q338 WeakPolarHBondContact O-CG 3.34Å; D334-Q338 PolarHBondContact O-N 2.81Å |
| 339 | P | 54.5 | Low | 60.9 | Low | 90 Ų | 90 | 94.2 Ų | 94.2 | 58% | 0.584 | 47% | 0.47 | S | S | * | . | trans | -58.7 | 149.1 | 172.4 | 21.2 | -27.7 | 0 | 0 | 0 | 109.4 | R337 I341 | R337-P339 WeakPolarHBondContact O-CD 3.41Å; P339-I341 HydrophobicContact CG-CD1 4.16Å; P339-I341 HydrophobicContact CG-CG1 4.12Å; P339-I341 PolarHBondContact O-N 3.38Å | ||
| 340 | R | 54.8 | Low | 60.6 | Low | 122 Ų | 122 | 93.5 Ų | 93.5 | 46% | 0.46 | 47% | 0.467 | S | S | . | . | trans | -62.3 | 80.7 | 172.9 | -74.3 | -176.8 | 179.9 | -175 | -1.8 | 109.5 | S342 R385 Y387 E446 | R340-S342 PolarHBondContact O-N 3.26Å; R340-R385 PolarHBondContact NE-O 3.44Å; R340-R385 PolarHBondContact NH2-O 2.69Å; R340-Y387 PolarHBondContact NH2-O 3.45Å; R340-E446 IonicContact CZ-OE1 3.68Å; R340-E446 IonicContact NH1-OE1 3.61Å; R340-E446 PolarHBondContact NH1-OE1 2.8Å; R340-E446 IonicContact NH2-OE1 3.48Å; R340-E446 PolarHBondContact NH2-OE1 3.28Å | ||
| 341 | I | 49.6 | Very low | 60.5 | Low | 117 Ų | 117 | 95.6 Ų | 95.6 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | trans | -80.6 | 109.8 | 174.6 | -63.8 | 169.6 | 0 | 0 | 0 | 107.2 | P339 | P339-I341 HydrophobicContact CG-CD1 4.16Å; P339-I341 HydrophobicContact CG-CG1 4.12Å; P339-I341 PolarHBondContact O-N 3.38Å | ||
| 342 | S | 45.4 | Very low | 60.5 | Low | 85 Ų | 85 | 93 Ų | 93 | 59% | 0.594 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 26.2 | 118.1 | 157.4 | 57.2 | 0 | 0 | 0 | 0 | 119.9 | R340 N344 | R340-S342 PolarHBondContact O-N 3.26Å; S342-N344 VanDerWaalsContact C-N 3.29Å; S342-N344 PolarHBondContact O-N 3.16Å |
| 343 | D | 46.4 | Very low | 60.8 | Low | 149 Ų | 149 | 91.1 Ų | 91.1 | 80% | 0.797 | 47% | 0.47 | S | S | * | . | trans | 54.6 | -5.7 | 143.4 | -67.6 | -13.7 | 0 | 0 | 0 | 123 | K345 | D343-K345 PolarHBondContact O-N 2.9Å; D343-K345 VanDerWaalsContact O-N 3.08Å | ||
| 344 | N | 41.8 | Very low | 60.9 | Low | 132 Ų | 132 | 91.8 Ų | 91.8 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | trans | -74.3 | 110.6 | 171.3 | -86.4 | -12.3 | 0 | 0 | 0 | 110.7 | S342 S346 | S342-N344 VanDerWaalsContact C-N 3.29Å; S342-N344 PolarHBondContact O-N 3.16Å; N344-S346 PolarHBondContact O-N 3.43Å | ||
| 345 | K | 46 | Very low | 61.3 | Low | 206 Ų | 206 | 89.8 Ų | 89.8 | 90% | 0.896 | 46% | 0.458 | S | S | * | . | trans | -57.3 | 1.2 | 172.9 | -72.3 | 178.9 | 175.1 | 177.5 | 0 | 114.3 | D343 K347 | D343-K345 PolarHBondContact O-N 2.9Å; D343-K345 VanDerWaalsContact O-N 3.08Å; K345-K347 PolarHBondContact O-N 3.33Å | ||
| 346 | S | 44.2 | Very low | 61.8 | Low | 81 Ų | 81 | 84.8 Ų | 84.8 | 57% | 0.566 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -83.9 | 103.9 | 178.1 | 54 | 0 | 0 | 0 | 0 | 110.9 | N344 I348 | N344-S346 PolarHBondContact O-N 3.43Å; S346-I348 PolarHBondContact O-N 3.21Å |
| 347 | K | 47.3 | Very low | 62.2 | Low | 183 Ų | 183 | 84.5 Ų | 84.5 | 80% | 0.796 | 43% | 0.433 | S | S | * | . | trans | -0.5 | 89.2 | 159.5 | -69.4 | 176.8 | 174.3 | 178.8 | 0 | 115.6 | K345 S349 | K345-K347 PolarHBondContact O-N 3.33Å; K347-S349 VanDerWaalsContact C-N 3.27Å; K347-S349 PolarHBondContact O-N 3.12Å | ||
| 348 | I | 49.7 | Very low | 62.7 | Low | 107 Ų | 107 | 81.7 Ų | 81.7 | 55% | 0.549 | 43% | 0.429 | S | S | . | . | trans | -93.8 | 73 | 152.5 | -49.7 | 174.6 | 0 | 0 | 0 | 105.9 | S346 | S346-I348 PolarHBondContact O-N 3.21Š| ||
| 349 | S | 61.3 | Low | 63.5 | Low | 25 Ų | 25 | 78.2 Ų | 78.2 | 18% | 0.175 | 41% | 0.412 | C | S | . | . | trans | -107.3 | 113.3 | 165.3 | 57.2 | 0 | 0 | 0 | 0 | 106.1 | K347 G351 N354 | K347-S349 VanDerWaalsContact C-N 3.27Å; K347-S349 PolarHBondContact O-N 3.12Å; S349-G351 PolarHBondContact O-N 2.94Å; S349-G351 VanDerWaalsContact O-N 3.09Å; S349-N354 WeakPolarHBondContact CB-ND2 3.17Å; S349-N354 PolarHBondContact OG-ND2 3.13Å; S349-N354 VanDerWaalsContact OG-ND2 3.08Å | ||
| 350 | C | 74.6 | Confident | 64.7 | Low | 6 Ų | 6 | 73.9 Ų | 73.9 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | trans | -50.7 | 120.8 | 173.9 | 167.7 | 0 | 0 | 0 | 0 | 109.5 | H329 E335 Y352 L353 N354 | H329-C350 PolarHBondContact NE2-SG 3.09Å; E335-C350 VanDerWaalsContact OE2-CA 3.26Å; E335-C350 WeakPolarHBondContact OE2-CA 3.33Å; C350-Y352 PolarHBondContact O-N 3.36Å; C350-L353 HydrophobicContact CB-CB 4.11Å; C350-L353 HydrophobicContact CB-CD1 3.98Å; C350-L353 HydrophobicContact CB-CG 4.06Å; C350-L353 PolarHBondContact O-N 2.92Å; C350-N354 PolarHBondContact O-N 3.47Å | ||
| 351 | G | 75.5 | Confident | 65.6 | Low | 45 Ų | 45 | 68.2 Ų | 68.2 | 46% | 0.464 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.5 | -40.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S349 N354 E355 | S349-G351 PolarHBondContact O-N 2.94Å; S349-G351 VanDerWaalsContact O-N 3.09Å; G351-N354 WeakPolarHBondContact O-CB 3.48Å; G351-N354 PolarHBondContact O-N 3.22Å; G351-E355 PolarHBondContact O-N 2.99Å |
| 352 | Y | 78.6 | Confident | 66.7 | Low | 37 Ų | 37 | 66.4 Ų | 66.4 | 15% | 0.145 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 178.7 | -174.8 | -110.7 | 0 | 0 | 0 | 112.8 | T296 H329 C350 N354 E355 I356 | T296-Y352 WeakPolarHBondContact CG2-OH 3.32Å; H329-Y352 HydrophobicContact CB-CE1 4.48Å; H329-Y352 AromaticContact CD2-CD1 3.96Å; H329-Y352 AromaticContact CE1-CD1 3.33Å; H329-Y352 WeakPolarHBondContact CE1-CD1 3.49Å; H329-Y352 AromaticContact CE1-CG 3.83Å; H329-Y352 AromaticContact CG-CD1 3.7Å; H329-Y352 AromaticContact ND1-CD1 3.3Å; H329-Y352 VanDerWaalsContact ND1-CD1 3.3Å; H329-Y352 WeakPolarHBondContact ND1-CD1 3.38Å; H329-Y352 AromaticContact ND1-CE1 3.71Å; H329-Y352 AromaticContact NE2-CD1 3.75Å; C350-Y352 PolarHBondContact O-N 3.36Å; Y352-N354 VanDerWaalsContact C-N 3.29Å; Y352-N354 PolarHBondContact O-N 3.21Å; Y352-E355 WeakPolarHBondContact O-CB 3.41Å; Y352-E355 PolarHBondContact O-N 3.49Å; Y352-E355 VanDerWaalsContact O-N 3.14Å; Y352-I356 HydrophobicContact CD1-CD1 3.98Å; Y352-I356 HydrophobicContact CE1-CD1 3.59Å; Y352-I356 HydrophobicContact CE1-CG1 4.31Å; Y352-I356 WeakPolarHBondContact O-CG1 3.36Å; Y352-I356 PolarHBondContact O-N 3.4Å |
| 353 | L | 80.5 | Confident | 67.5 | Low | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 176.2 | -69.4 | 178.5 | 0 | 0 | 0 | 112.1 | L330 C350 E355 I356 L357 F377 L381 Y387 | L330-L353 HydrophobicContact CD2-CD1 4.1Å; C350-L353 HydrophobicContact CB-CB 4.11Å; C350-L353 HydrophobicContact CB-CD1 3.98Å; C350-L353 HydrophobicContact CB-CG 4.06Å; C350-L353 PolarHBondContact O-N 2.92Å; L353-E355 VanDerWaalsContact C-N 3.35Å; L353-I356 HydrophobicContact CD2-CD1 4.46Å; L353-L357 WeakPolarHBondContact O-CB 3.49Å; L353-L357 PolarHBondContact O-N 3.3Å; L353-F377 HydrophobicContact CD2-CZ 4.39Å; L353-L381 HydrophobicContact CD1-CD2 3.83Å; L353-Y387 HydrophobicContact CB-CD2 4.46Å; L353-Y387 HydrophobicContact CB-CE2 4.42Å; L353-Y387 HydrophobicContact CD1-CD2 4.4Å |
| 354 | N | 77.9 | Confident | 68.5 | Low | 38 Ų | 38 | 62.2 Ų | 62.2 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 172.3 | -88.9 | -1.5 | 0 | 0 | 0 | 112 | S349 C350 G351 Y352 L357 N358 Y387 | S349-N354 WeakPolarHBondContact CB-ND2 3.17Å; S349-N354 PolarHBondContact OG-ND2 3.13Å; S349-N354 VanDerWaalsContact OG-ND2 3.08Å; C350-N354 PolarHBondContact O-N 3.47Å; G351-N354 WeakPolarHBondContact O-CB 3.48Å; G351-N354 PolarHBondContact O-N 3.22Å; Y352-N354 VanDerWaalsContact C-N 3.29Å; Y352-N354 PolarHBondContact O-N 3.21Å; N354-L357 PolarHBondContact O-N 2.93Å; N354-N358 WeakPolarHBondContact O-CB 3.32Å; N354-N358 VanDerWaalsContact O-CG 3.22Å; N354-N358 PolarHBondContact O-N 2.91Å; N354-N358 PolarHBondContact O-ND2 3.21Å; N354-Y387 WeakPolarHBondContact OD1-CE2 3.27Å; N354-Y387 VanDerWaalsContact OD1-CZ 3.32Å; N354-Y387 PolarHBondContact OD1-OH 3.18Å |
| 355 | E | 80.4 | Confident | 69.7 | Low | 85 Ų | 85 | 56.1 Ų | 56.1 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 177.4 | -168.9 | 180 | 172.5 | 0 | 0 | 111.1 | G351 Y352 L353 L357 N358 Q359 | G351-E355 PolarHBondContact O-N 2.99Å; Y352-E355 WeakPolarHBondContact O-CB 3.41Å; Y352-E355 PolarHBondContact O-N 3.49Å; Y352-E355 VanDerWaalsContact O-N 3.14Å; L353-E355 VanDerWaalsContact C-N 3.35Å; E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 3.26Å; E355-N358 PolarHBondContact O-N 2.88Å; E355-Q359 WeakPolarHBondContact O-CG 3.42Å; E355-Q359 PolarHBondContact O-N 3.28Å |
| 356 | I | 82.1 | Confident | 70.8 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.3 | -46.9 | 174.8 | -61.8 | -180 | 0 | 0 | 0 | 110.8 | L300 Y352 L353 Q359 L360 F377 | L300-I356 HydrophobicContact CD1-CG1 4.43Å; L300-I356 HydrophobicContact CD1-CG2 4.04Å; L300-I356 HydrophobicContact CD2-CB 4.31Å; L300-I356 HydrophobicContact CD2-CD1 4.41Å; L300-I356 HydrophobicContact CD2-CG1 3.66Å; L300-I356 HydrophobicContact CD2-CG2 4.34Å; Y352-I356 HydrophobicContact CD1-CD1 3.98Å; Y352-I356 HydrophobicContact CE1-CD1 3.59Å; Y352-I356 HydrophobicContact CE1-CG1 4.31Å; Y352-I356 WeakPolarHBondContact O-CG1 3.36Å; Y352-I356 PolarHBondContact O-N 3.4Å; L353-I356 HydrophobicContact CD2-CD1 4.46Å; I356-Q359 PolarHBondContact O-N 3.34Å; I356-L360 HydrophobicContact CG2-CD1 4.02Å; I356-L360 HydrophobicContact CG2-CG 4.5Å; I356-L360 WeakPolarHBondContact O-CG 3.46Å; I356-L360 PolarHBondContact O-N 2.72Å; I356-F377 HydrophobicContact CB-CE2 4.16Å; I356-F377 HydrophobicContact CG2-CD2 4.15Å; I356-F377 HydrophobicContact CG2-CE2 3.66Å |
| 357 | L | 81.4 | Confident | 72.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.9 | -49.8 | -179.2 | -168.8 | 80.8 | 0 | 0 | 0 | 110.4 | L353 N354 E355 Q359 L360 V361 L374 F377 L392 | L353-L357 WeakPolarHBondContact O-CB 3.49Å; L353-L357 PolarHBondContact O-N 3.3Å; N354-L357 PolarHBondContact O-N 2.93Å; E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 3.26Å; L357-Q359 VanDerWaalsContact C-N 3.3Å; L357-Q359 PolarHBondContact O-N 3.44Å; L357-L360 WeakPolarHBondContact O-CB 3.45Å; L357-L360 PolarHBondContact O-N 3.18Å; L357-V361 HydrophobicContact CG-CG2 4.46Å; L357-V361 WeakPolarHBondContact O-CG2 3.34Å; L357-V361 PolarHBondContact O-N 3.43Å; L357-L374 HydrophobicContact CD1-CD2 4.2Å; L357-F377 HydrophobicContact CB-CE1 4.46Å; L357-F377 HydrophobicContact CB-CZ 4.32Å; L357-F377 HydrophobicContact CD1-CD1 3.82Å; L357-F377 HydrophobicContact CD1-CE1 3.52Å; L357-F377 HydrophobicContact CD1-CZ 4.14Å; L357-L392 HydrophobicContact CD1-CD1 3.45Å; L357-L392 VanDerWaalsContact CD1-CD1 3.45Å; L357-L392 HydrophobicContact CD2-CD1 3.82Å; L357-L392 HydrophobicContact CG-CD1 4.25Å |
| 358 | N | 80.2 | Confident | 73.6 | Confident | 84 Ų | 84 | 46.1 Ų | 46.1 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 179.7 | -71.9 | -16.2 | 0 | 0 | 0 | 112.3 | N354 E355 V361 S362 S395 | N354-N358 WeakPolarHBondContact O-CB 3.32Å; N354-N358 VanDerWaalsContact O-CG 3.22Å; N354-N358 PolarHBondContact O-N 2.91Å; N354-N358 PolarHBondContact O-ND2 3.21Å; E355-N358 PolarHBondContact O-N 2.88Å; N358-V361 PolarHBondContact O-N 3.33Å; N358-S362 PolarHBondContact O-N 3.24Å; N358-S395 PolarHBondContact OD1-OG 2.98Å |
| 359 | Q | 80.6 | Confident | 74.9 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 23% | 0.229 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | 174.1 | -69.4 | -179.5 | 7.3 | 0 | 0 | 112.6 | L300 I304 E355 I356 L357 V361 S362 | L300-Q359 VanDerWaalsContact CD2-OE1 3.3Å; I304-Q359 HydrophobicContact CD1-CB 3.6Å; E355-Q359 WeakPolarHBondContact O-CG 3.42Å; E355-Q359 PolarHBondContact O-N 3.28Å; I356-Q359 PolarHBondContact O-N 3.34Å; L357-Q359 VanDerWaalsContact C-N 3.3Å; L357-Q359 PolarHBondContact O-N 3.44Å; Q359-V361 VanDerWaalsContact C-N 3.3Å; Q359-V361 PolarHBondContact O-N 3Å; Q359-S362 PolarHBondContact O-OG 3.02Å |
| 360 | L | 79.6 | Confident | 75.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.2 | -31.4 | 177.1 | -76.4 | 168.1 | 0 | 0 | 0 | 112.8 | I304 I356 L357 M373 L374 F377 | I304-L360 HydrophobicContact CD1-CD2 4.23Å; I304-L360 HydrophobicContact CD1-CG 4.29Å; I304-L360 HydrophobicContact CG1-CD2 3.83Å; I304-L360 HydrophobicContact CG1-CG 4.43Å; I356-L360 HydrophobicContact CG2-CD1 4.02Å; I356-L360 HydrophobicContact CG2-CG 4.5Å; I356-L360 WeakPolarHBondContact O-CG 3.46Å; I356-L360 PolarHBondContact O-N 2.72Å; L357-L360 WeakPolarHBondContact O-CB 3.45Å; L357-L360 PolarHBondContact O-N 3.18Å; L360-M373 HydrophobicContact CD2-CB 4.49Å; L360-M373 HydrophobicContact CD2-CG 3.87Å; L360-M373 HydrophobicContact CD2-SD 3.55Å; L360-M373 VanDerWaalsContact CD2-SD 3.55Å; L360-L374 HydrophobicContact CB-CD2 4.19Å; L360-L374 HydrophobicContact CD1-CD2 4.42Å; L360-F377 HydrophobicContact CD1-CD2 4.03Å; L360-F377 HydrophobicContact CD1-CG 4.43Å |
| 361 | V | 75.1 | Confident | 76.2 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -93.9 | -12.4 | -175.1 | -138.7 | 0 | 0 | 0 | 0 | 113.7 | L357 N358 Q359 D363 C365 L396 V399 | L357-V361 HydrophobicContact CG-CG2 4.46Å; L357-V361 WeakPolarHBondContact O-CG2 3.34Å; L357-V361 PolarHBondContact O-N 3.43Å; N358-V361 PolarHBondContact O-N 3.33Å; Q359-V361 VanDerWaalsContact C-N 3.3Å; Q359-V361 PolarHBondContact O-N 3Å; V361-D363 PolarHBondContact O-N 3.39Å; V361-C365 WeakPolarHBondContact CG1-SG 3.15Å; V361-L396 HydrophobicContact CG1-CD2 4.01Å; V361-L396 HydrophobicContact CG2-CD2 4.39Å; V361-V399 HydrophobicContact CB-CB 4.48Å; V361-V399 HydrophobicContact CB-CG2 3.53Å; V361-V399 HydrophobicContact CG1-CB 3.63Å; V361-V399 HydrophobicContact CG1-CG1 3.85Å; V361-V399 HydrophobicContact CG1-CG2 3.21Å; V361-V399 WeakPolarHBondContact O-CG2 3.47Å |
| 362 | S | 71.8 | Confident | 76.5 | Confident | 78 Ų | 78 | 40.2 Ų | 40.2 | 55% | 0.545 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -57.9 | -37.1 | -169.3 | 63.4 | 0 | 0 | 0 | 0 | 116.2 | N358 Q359 | N358-S362 PolarHBondContact O-N 3.24Å; Q359-S362 PolarHBondContact O-OG 3.02Å |
| 363 | D | 63.1 | Low | 76.8 | Confident | 105 Ų | 105 | 38.6 Ų | 38.6 | 56% | 0.561 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -103.3 | -32 | -165.9 | -45.7 | -32.7 | 0 | 0 | 0 | 115.1 | R307 V361 | R307-D363 IonicContact CZ-OD2 3.54Å; R307-D363 IonicContact NH1-OD2 2.78Å; R307-D363 IonicContact NH2-OD2 2.85Å; R307-D363 PolarHBondContact NH2-OD2 3.39Å; V361-D363 PolarHBondContact O-N 3.39Å |
| 364 | S | 66.9 | Low | 77.1 | Confident | 42 Ų | 42 | 38.8 Ų | 38.8 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | trans | 171.4 | 138.5 | 172.3 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | T370 | S364-T370 WeakPolarHBondContact O-CG2 3.45Å; S364-T370 PolarHBondContact O-OG1 3.23Å; S364-T370 VanDerWaalsContact O-OG1 3.05Å | ||
| 365 | C | 66.5 | Low | 77.5 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -85.9 | -1.8 | 172.7 | -66.9 | 0 | 0 | 0 | 0 | 114.9 | V361 I371 F400 I422 | V361-C365 WeakPolarHBondContact CG1-SG 3.15Å; C365-I371 WeakPolarHBondContact O-CG1 3.43Å; C365-F400 HydrophobicContact CB-CE1 4.22Å; C365-F400 HydrophobicContact CB-CZ 4.05Å; C365-I422 HydrophobicContact CB-CD1 4.25Å |
| 366 | Y | 69.5 | Low | 77.7 | Confident | 91 Ų | 91 | 36.4 Ų | 36.4 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | trans | -84.5 | -4.4 | -175.4 | -77.9 | -89.1 | 0 | 0 | 0 | 114.5 | F403 I422 | Y366-F403 HydrophobicContact CD2-CE1 4.49Å; Y366-F403 AromaticContact CE2-CD1 3.96Å; Y366-F403 HydrophobicContact CE2-CD1 3.96Å; Y366-F403 AromaticContact CE2-CE1 3.97Å; Y366-F403 HydrophobicContact CE2-CE1 3.97Å; Y366-F403 HydrophobicContact CE2-CG 4.33Å; Y366-F403 HydrophobicContact CE2-CZ 4.36Å; Y366-I422 HydrophobicContact CD1-CD1 4.48Å; Y366-I422 HydrophobicContact CD1-CG1 3.69Å; Y366-I422 HydrophobicContact CD1-CG2 4.47Å; Y366-I422 HydrophobicContact CE1-CB 4.34Å; Y366-I422 HydrophobicContact CE1-CD1 4.4Å; Y366-I422 HydrophobicContact CE1-CG1 3.4Å; Y366-I422 HydrophobicContact CE2-CG1 4.42Å; Y366-I422 HydrophobicContact CG-CG1 4.32Å | ||
| 367 | S | 75.2 | Confident | 77.9 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -87.3 | 134.5 | 177.3 | 98.1 | 0 | 0 | 0 | 0 | 111 | G369 T370 I371 | S367-G369 PolarHBondContact O-N 3.43Å; S367-G369 VanDerWaalsContact O-N 3.14Å; S367-T370 PolarHBondContact O-N 2.96Å; S367-T370 WeakPolarHBondContact OG-CB 3.43Å; S367-T370 PolarHBondContact OG-N 3.42Å; S367-T370 PolarHBondContact OG-OG1 3.19Å; S367-I371 PolarHBondContact O-N 3.28Å; S367-I371 VanDerWaalsContact O-N 3.12Å |
| 368 | R | 74.2 | Confident | 78 | Confident | 135 Ų | 135 | 36.5 Ų | 36.5 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -50.8 | -37.3 | 171.8 | -170.7 | -179.2 | -177.5 | -157.3 | 0.8 | 111.9 | A372 L428 E431 | R368-A372 VanDerWaalsContact O-CB 3.26Å; R368-A372 WeakPolarHBondContact O-CB 3.4Å; R368-A372 PolarHBondContact O-N 3.38Å; R368-L428 HydrophobicContact CB-CD2 3.73Å; R368-L428 HydrophobicContact CG-CD2 4.19Å; R368-E431 HydrophobicContact CG-CG 4.29Å; R368-E431 IonicContact CZ-OE1 2.72Å; R368-E431 IonicContact NE-OE1 3.1Å; R368-E431 PolarHBondContact NE-OE1 3.12Å; R368-E431 IonicContact NH2-OE1 3.18Å; R368-E431 PolarHBondContact NH2-OE1 3.38Å |
| 369 | G | 77.4 | Confident | 78.3 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.9 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | R307 S367 A372 M373 | R307-G369 WeakPolarHBondContact O-CA 3.49Å; S367-G369 PolarHBondContact O-N 3.43Å; S367-G369 VanDerWaalsContact O-N 3.14Å; G369-A372 PolarHBondContact O-N 3.07Å; G369-M373 VanDerWaalsContact O-CB 3.23Å; G369-M373 WeakPolarHBondContact O-CB 3.13Å; G369-M373 PolarHBondContact O-N 2.68Å |
| 370 | T | 82.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 177.6 | -50.4 | 0 | 0 | 0 | 0 | 110.6 | R307 S364 S367 A372 M373 L374 | R307-T370 PolarHBondContact NE-OG1 3.45Å; S364-T370 WeakPolarHBondContact O-CG2 3.45Å; S364-T370 PolarHBondContact O-OG1 3.23Å; S364-T370 VanDerWaalsContact O-OG1 3.05Å; S367-T370 PolarHBondContact O-N 2.96Å; S367-T370 WeakPolarHBondContact OG-CB 3.43Å; S367-T370 PolarHBondContact OG-N 3.42Å; S367-T370 PolarHBondContact OG-OG1 3.19Å; T370-A372 PolarHBondContact O-N 3.48Å; T370-M373 PolarHBondContact O-N 3.5Å; T370-L374 HydrophobicContact CG2-CD1 3.99Å; T370-L374 HydrophobicContact CG2-CG 4.38Å; T370-L374 WeakPolarHBondContact O-CB 3.36Å; T370-L374 WeakPolarHBondContact O-CG 3.47Å; T370-L374 PolarHBondContact O-N 3.34Å |
| 371 | I | 82.1 | Confident | 78.5 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | -179.3 | -61 | 160 | 0 | 0 | 0 | 110.4 | C365 S367 M373 L374 T375 I422 L428 E431 I432 F435 | C365-I371 WeakPolarHBondContact O-CG1 3.43Å; S367-I371 PolarHBondContact O-N 3.28Å; S367-I371 VanDerWaalsContact O-N 3.12Å; I371-M373 VanDerWaalsContact C-N 3.32Å; I371-M373 PolarHBondContact O-N 2.98Å; I371-L374 PolarHBondContact O-N 2.94Å; I371-T375 WeakPolarHBondContact O-CB 3.27Å; I371-T375 PolarHBondContact O-N 3.33Å; I371-T375 PolarHBondContact O-OG1 3.2Å; I371-I422 HydrophobicContact CD1-CG2 4.04Å; I371-L428 HydrophobicContact CD1-CD1 4.49Å; I371-L428 HydrophobicContact CD1-CD2 4.4Å; I371-E431 HydrophobicContact CG2-CB 3.96Å; I371-I432 HydrophobicContact CD1-CD1 3.66Å; I371-I432 HydrophobicContact CD1-CG1 4.22Å; I371-I432 HydrophobicContact CG1-CD1 4.23Å; I371-I432 HydrophobicContact CG2-CD1 4.23Å; I371-F435 HydrophobicContact CG2-CB 4.19Å; I371-F435 HydrophobicContact CG2-CG 4.48Å |
| 372 | A | 81.2 | Confident | 78.6 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 35% | 0.347 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R368 G369 T370 T375 R376 | R368-A372 VanDerWaalsContact O-CB 3.26Å; R368-A372 WeakPolarHBondContact O-CB 3.4Å; R368-A372 PolarHBondContact O-N 3.38Å; G369-A372 PolarHBondContact O-N 3.07Å; T370-A372 PolarHBondContact O-N 3.48Å; A372-T375 PolarHBondContact O-N 3.07Å; A372-R376 WeakPolarHBondContact O-CB 3.37Å; A372-R376 PolarHBondContact O-N 3.31Å |
| 373 | M | 85.8 | Confident | 78.7 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69 | -39.9 | 179.8 | -158.6 | 169.3 | -102.4 | 0 | 0 | 111.4 | R307 A318 I322 L360 G369 T370 I371 R376 F377 | R307-M373 HydrophobicContact CB-CE 3.89Å; R307-M373 HydrophobicContact CB-SD 3.77Å; A318-M373 HydrophobicContact CB-CE 4.32Å; I322-M373 HydrophobicContact CD1-CE 3.64Å; I322-M373 HydrophobicContact CD1-CG 4.1Å; I322-M373 HydrophobicContact CD1-SD 3.48Å; I322-M373 WeakPolarHBondContact CD1-SD 3.07Å; L360-M373 HydrophobicContact CD2-CB 4.49Å; L360-M373 HydrophobicContact CD2-CG 3.87Å; L360-M373 HydrophobicContact CD2-SD 3.55Å; L360-M373 VanDerWaalsContact CD2-SD 3.55Å; G369-M373 VanDerWaalsContact O-CB 3.23Å; G369-M373 WeakPolarHBondContact O-CB 3.13Å; G369-M373 PolarHBondContact O-N 2.68Å; T370-M373 PolarHBondContact O-N 3.5Å; I371-M373 VanDerWaalsContact C-N 3.32Å; I371-M373 PolarHBondContact O-N 2.98Å; M373-R376 PolarHBondContact O-N 3Å; M373-F377 WeakPolarHBondContact O-CB 3.41Å; M373-F377 PolarHBondContact O-N 3.44Å |
| 374 | L | 85.3 | Confident | 79 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 171.7 | -74.8 | 173.3 | 0 | 0 | 0 | 112.1 | L357 L360 T370 I371 R376 F377 I378 L396 F435 | L357-L374 HydrophobicContact CD1-CD2 4.2Å; L360-L374 HydrophobicContact CB-CD2 4.19Å; L360-L374 HydrophobicContact CD1-CD2 4.42Å; T370-L374 HydrophobicContact CG2-CD1 3.99Å; T370-L374 HydrophobicContact CG2-CG 4.38Å; T370-L374 WeakPolarHBondContact O-CB 3.36Å; T370-L374 WeakPolarHBondContact O-CG 3.47Å; T370-L374 PolarHBondContact O-N 3.34Å; I371-L374 PolarHBondContact O-N 2.94Å; L374-R376 PolarHBondContact O-N 3.37Å; L374-F377 WeakPolarHBondContact O-CB 3.3Å; L374-F377 PolarHBondContact O-N 2.96Å; L374-I378 VanDerWaalsContact O-CG1 3.29Å; L374-I378 WeakPolarHBondContact O-CG1 3.09Å; L374-I378 PolarHBondContact O-N 3.21Å; L374-L396 HydrophobicContact CD1-CD2 4.31Å; L374-F435 HydrophobicContact CB-CD2 4.38Å; L374-F435 HydrophobicContact CB-CE2 3.68Å; L374-F435 HydrophobicContact CB-CZ 4.36Å; L374-F435 HydrophobicContact CD1-CZ 4.5Å |
| 375 | T | 86.2 | Confident | 78.9 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.3 | -42.5 | 174.7 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | I371 A372 R379 E434 F435 L438 | I371-T375 WeakPolarHBondContact O-CB 3.27Å; I371-T375 PolarHBondContact O-N 3.33Å; I371-T375 PolarHBondContact O-OG1 3.2Å; A372-T375 PolarHBondContact O-N 3.07Å; T375-R379 WeakPolarHBondContact O-CB 3.49Å; T375-R379 PolarHBondContact O-N 3.44Å; T375-E434 HydrophobicContact CG2-CG 3.92Å; T375-F435 WeakPolarHBondContact OG1-CB 3.39Å; T375-F435 WeakPolarHBondContact OG1-CD2 3.3Å; T375-L438 HydrophobicContact CG2-CD2 4.18Å; T375-L438 VanDerWaalsContact O-CD2 3.32Å; T375-L438 WeakPolarHBondContact O-CD2 3.14Å |
| 376 | R | 85.4 | Confident | 78.8 | Confident | 70 Ų | 70 | 46 Ų | 46 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.6 | -40.8 | 179.3 | -152.7 | 157.3 | -175 | 179 | -8.9 | 112.2 | D320 E323 A372 M373 L374 R379 C380 | D320-R376 IonicContact OD1-CZ 2.78Å; D320-R376 IonicContact OD1-NH1 3.96Å; D320-R376 PolarHBondContact OD1-NH1 3.21Å; D320-R376 IonicContact OD1-NH2 3.82Å; D320-R376 PolarHBondContact OD1-NH2 3.01Å; E323-R376 IonicContact OE2-CZ 3.52Å; E323-R376 IonicContact OE2-NE 2.71Å; E323-R376 PolarHBondContact OE2-NE 3.03Å; E323-R376 IonicContact OE2-NH2 3.81Å; E323-R376 PolarHBondContact OE2-NH2 3.25Å; A372-R376 WeakPolarHBondContact O-CB 3.37Å; A372-R376 PolarHBondContact O-N 3.31Å; M373-R376 PolarHBondContact O-N 3Å; L374-R376 PolarHBondContact O-N 3.37Å; R376-R379 WeakPolarHBondContact O-CB 3.44Å; R376-R379 PolarHBondContact O-N 3.02Å; R376-C380 PolarHBondContact O-N 3.34Å; R376-C380 PolarHBondContact O-SG 3.48Å |
| 377 | F | 86.7 | Confident | 78.7 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.3 | -53.1 | 173 | -177.2 | -86.2 | 0 | 0 | 0 | 111.1 | I326 L353 I356 L357 L360 M373 L374 R379 C380 L381 | I326-F377 HydrophobicContact CD1-CB 4.24Å; I326-F377 HydrophobicContact CD1-CD2 3.27Å; I326-F377 HydrophobicContact CD1-CE2 3.86Å; I326-F377 HydrophobicContact CD1-CG 4.05Å; I326-F377 HydrophobicContact CG1-CD2 4.06Å; I326-F377 HydrophobicContact CG1-CE2 4.14Å; L353-F377 HydrophobicContact CD2-CZ 4.39Å; I356-F377 HydrophobicContact CB-CE2 4.16Å; I356-F377 HydrophobicContact CG2-CD2 4.15Å; I356-F377 HydrophobicContact CG2-CE2 3.66Å; L357-F377 HydrophobicContact CB-CE1 4.46Å; L357-F377 HydrophobicContact CB-CZ 4.32Å; L357-F377 HydrophobicContact CD1-CD1 3.82Å; L357-F377 HydrophobicContact CD1-CE1 3.52Å; L357-F377 HydrophobicContact CD1-CZ 4.14Å; L360-F377 HydrophobicContact CD1-CD2 4.03Å; L360-F377 HydrophobicContact CD1-CG 4.43Å; M373-F377 WeakPolarHBondContact O-CB 3.41Å; M373-F377 PolarHBondContact O-N 3.44Å; L374-F377 WeakPolarHBondContact O-CB 3.3Å; L374-F377 PolarHBondContact O-N 2.96Å; F377-R379 VanDerWaalsContact C-N 3.29Å; F377-R379 PolarHBondContact O-N 3.06Å; F377-C380 WeakPolarHBondContact O-CB 3.3Å; F377-C380 PolarHBondContact O-N 3.17Å; F377-C380 VanDerWaalsContact O-N 3.11Å; F377-L381 HydrophobicContact CD1-CD1 3.72Å; F377-L381 HydrophobicContact CD1-CG 4.21Å; F377-L381 HydrophobicContact CE1-CD1 3.26Å; F377-L381 HydrophobicContact CE1-CD2 4.49Å; F377-L381 HydrophobicContact CE1-CG 3.98Å; F377-L381 HydrophobicContact CZ-CD1 4.08Å; F377-L381 PolarHBondContact O-N 3.39Å; F377-L381 VanDerWaalsContact O-N 3.1Å |
| 378 | I | 84 | Confident | 78.7 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 178.8 | -63.6 | 171.4 | 0 | 0 | 0 | 110.6 | L374 C380 L381 S382 L392 F435 L438 I439 N442 | L374-I378 VanDerWaalsContact O-CG1 3.29Å; L374-I378 WeakPolarHBondContact O-CG1 3.09Å; L374-I378 PolarHBondContact O-N 3.21Å; I378-C380 VanDerWaalsContact C-N 3.27Å; I378-C380 PolarHBondContact O-N 2.79Å; I378-L381 WeakPolarHBondContact O-CB 3.47Å; I378-L381 PolarHBondContact O-N 3.3Å; I378-L381 VanDerWaalsContact O-N 3.12Å; I378-S382 PolarHBondContact O-N 2.74Å; I378-S382 PolarHBondContact O-OG 2.78Å; I378-S382 VanDerWaalsContact O-OG 3.06Å; I378-L392 HydrophobicContact CD1-CD1 4.35Å; I378-L392 HydrophobicContact CD1-CD2 3.47Å; I378-L392 VanDerWaalsContact CD1-CD2 3.47Å; I378-L392 HydrophobicContact CG1-CD1 4.27Å; I378-L392 HydrophobicContact CG1-CD2 3.7Å; I378-F435 HydrophobicContact CD1-CD2 3.92Å; I378-F435 HydrophobicContact CD1-CE2 3.22Å; I378-F435 HydrophobicContact CD1-CZ 3.88Å; I378-F435 HydrophobicContact CG1-CE2 4.46Å; I378-L438 HydrophobicContact CB-CD2 3.72Å; I378-L438 HydrophobicContact CB-CG 4.45Å; I378-L438 HydrophobicContact CG2-CD2 3.54Å; I378-L438 HydrophobicContact CG2-CG 3.72Å; I378-I439 HydrophobicContact CD1-CD1 4.04Å; I378-I439 HydrophobicContact CD1-CG1 3.8Å; I378-N442 VanDerWaalsContact CG2-ND2 3.26Å; I378-N442 WeakPolarHBondContact CG2-ND2 3.28Å |
| 379 | R | 86 | Confident | 79 | Confident | 89 Ų | 89 | 40.1 Ų | 40.1 | 34% | 0.336 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.1 | -38.2 | 178.1 | -178.2 | 178 | -65.9 | 157.3 | 2.8 | 112.2 | T375 R376 F377 K383 E434 L438 | T375-R379 WeakPolarHBondContact O-CB 3.49Å; T375-R379 PolarHBondContact O-N 3.44Å; R376-R379 WeakPolarHBondContact O-CB 3.44Å; R376-R379 PolarHBondContact O-N 3.02Å; F377-R379 VanDerWaalsContact C-N 3.29Å; F377-R379 PolarHBondContact O-N 3.06Å; R379-K383 PolarHBondContact O-N 3.35Å; R379-E434 IonicContact CZ-OE1 3.13Å; R379-E434 IonicContact NH1-OE1 3.68Å; R379-E434 IonicContact NH2-OE1 3.71Å; R379-E434 PolarHBondContact NH2-OE1 3.39Å; R379-L438 HydrophobicContact CB-CD2 4.12Å |
| 380 | C | 83.9 | Confident | 79 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -44.2 | 174.9 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | I326 F327 R376 F377 I378 K383 | I326-C380 HydrophobicContact CB-CB 4.37Å; I326-C380 HydrophobicContact CG2-CB 3.63Å; F327-C380 HydrophobicContact CE1-CB 4.22Å; F327-C380 HydrophobicContact CZ-CB 4.34Å; R376-C380 PolarHBondContact O-N 3.34Å; R376-C380 PolarHBondContact O-SG 3.48Å; F377-C380 WeakPolarHBondContact O-CB 3.3Å; F377-C380 PolarHBondContact O-N 3.17Å; F377-C380 VanDerWaalsContact O-N 3.11Å; I378-C380 VanDerWaalsContact C-N 3.27Å; I378-C380 PolarHBondContact O-N 2.79Å; C380-K383 PolarHBondContact O-N 3.16Å |
| 381 | L | 79.3 | Confident | 78.7 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 176.9 | -63.5 | -178 | 0 | 0 | 0 | 112.6 | L330 L353 F377 I378 K383 K384 R385 Y387 | L330-L381 HydrophobicContact CD1-CD2 4.42Å; L330-L381 HydrophobicContact CD2-CD2 4.15Å; L353-L381 HydrophobicContact CD1-CD2 3.83Å; F377-L381 HydrophobicContact CD1-CD1 3.72Å; F377-L381 HydrophobicContact CD1-CG 4.21Å; F377-L381 HydrophobicContact CE1-CD1 3.26Å; F377-L381 HydrophobicContact CE1-CD2 4.49Å; F377-L381 HydrophobicContact CE1-CG 3.98Å; F377-L381 HydrophobicContact CZ-CD1 4.08Å; F377-L381 PolarHBondContact O-N 3.39Å; F377-L381 VanDerWaalsContact O-N 3.1Å; I378-L381 WeakPolarHBondContact O-CB 3.47Å; I378-L381 PolarHBondContact O-N 3.3Å; I378-L381 VanDerWaalsContact O-N 3.12Å; L381-K383 PolarHBondContact O-N 3.1Å; L381-K384 PolarHBondContact O-N 2.99Å; L381-R385 PolarHBondContact O-N 3.27Å; L381-Y387 HydrophobicContact CD1-CD1 3.81Å; L381-Y387 HydrophobicContact CD1-CG 3.9Å |
| 382 | S | 78 | Confident | 78.5 | Confident | 32 Ų | 32 | 42 Ų | 42 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.1 | -32.4 | 178.8 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | I378 K384 N442 | I378-S382 PolarHBondContact O-N 2.74Å; I378-S382 PolarHBondContact O-OG 2.78Å; I378-S382 VanDerWaalsContact O-OG 3.06Å; S382-K384 PolarHBondContact O-N 3.42Å; S382-N442 PolarHBondContact OG-ND2 3.01Å; S382-N442 PolarHBondContact OG-OD1 2.94Å |
| 383 | K | 74.5 | Confident | 78.6 | Confident | 134 Ų | 134 | 40 Ų | 40 | 58% | 0.583 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -65.8 | -35.5 | 179.8 | -78.3 | 176.1 | 174.9 | 176.3 | 0 | 113.3 | F327 R379 C380 L381 | F327-K383 HydrophobicContact CE1-CD 3.82Å; F327-K383 HydrophobicContact CZ-CD 3.81Å; R379-K383 PolarHBondContact O-N 3.35Å; C380-K383 PolarHBondContact O-N 3.16Å; L381-K383 PolarHBondContact O-N 3.1Å |
| 384 | K | 68.7 | Low | 78.3 | Confident | 121 Ų | 121 | 45.1 Ų | 45.1 | 53% | 0.526 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -102.6 | -11.6 | -178.2 | -75.3 | -91.9 | -175.6 | 171.3 | 0 | 113.5 | L330 L381 S382 V386 | L330-K384 HydrophobicContact CB-CG 4.33Å; L330-K384 HydrophobicContact CD1-CB 4.45Å; L330-K384 HydrophobicContact CD1-CG 4.36Å; L381-K384 PolarHBondContact O-N 2.99Å; S382-K384 PolarHBondContact O-N 3.42Å; K384-V386 HydrophobicContact CB-CG2 3.72Å; K384-V386 PolarHBondContact O-N 3.11Å |
| 385 | R | 65 | Low | 77.8 | Confident | 152 Ų | 152 | 45.6 Ų | 45.6 | 57% | 0.574 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 29.5 | -179.7 | -59.3 | -172.9 | 179.7 | -177 | -0.1 | 114.4 | R340 L381 | R340-R385 PolarHBondContact NE-O 3.44Å; R340-R385 PolarHBondContact NH2-O 2.69Å; L381-R385 PolarHBondContact O-N 3.27Å |
| 386 | V | 63.6 | Low | 77.5 | Confident | 28 Ų | 28 | 45.5 Ų | 45.5 | 17% | 0.17 | 20% | 0.2 | C | C | . | . | trans | -77.4 | -48.1 | -177.9 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | L330 C336 K384 | L330-V386 HydrophobicContact CD2-CB 4.32Å; L330-V386 HydrophobicContact CD2-CG2 4.04Å; C336-V386 VanDerWaalsContact CA-CG1 3.45Å; C336-V386 HydrophobicContact CB-CG1 3.8Å; C336-V386 HydrophobicContact CB-CG2 4.36Å; C336-V386 WeakPolarHBondContact O-CG1 3.31Å; C336-V386 WeakPolarHBondContact O-CG2 3.49Å; K384-V386 HydrophobicContact CB-CG2 3.72Å; K384-V386 PolarHBondContact O-N 3.11Å | ||
| 387 | Y | 68.7 | Low | 77.2 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -95 | 131.1 | -167.5 | -165.3 | -88.9 | 0 | 0 | 0 | 111.2 | R340 L353 N354 L381 N391 L392 | R340-Y387 PolarHBondContact NH2-O 3.45Å; L353-Y387 HydrophobicContact CB-CD2 4.46Å; L353-Y387 HydrophobicContact CB-CE2 4.42Å; L353-Y387 HydrophobicContact CD1-CD2 4.4Å; N354-Y387 WeakPolarHBondContact OD1-CE2 3.27Å; N354-Y387 VanDerWaalsContact OD1-CZ 3.32Å; N354-Y387 PolarHBondContact OD1-OH 3.18Å; L381-Y387 HydrophobicContact CD1-CD1 3.81Å; L381-Y387 HydrophobicContact CD1-CG 3.9Å; Y387-N391 HydrophobicContact CE1-CB 3.69Å; Y387-N391 HydrophobicContact CE2-CB 4.47Å; Y387-N391 WeakPolarHBondContact OH-CB 3.46Å; Y387-L392 HydrophobicContact CE1-CB 4.05Å |
| 388 | R | 73.5 | Confident | 76.5 | Confident | 116 Ų | 116 | 46.6 Ų | 46.6 | 44% | 0.438 | 22% | 0.217 | S | C | . | . | trans | -74.8 | 137.3 | 177.4 | -75.5 | -167.3 | -179.5 | -168.3 | 0.4 | 111.2 | T390 N391 | R388-T390 PolarHBondContact O-N 3.17Å; R388-N391 PolarHBondContact O-N 3.36Å; R388-N391 VanDerWaalsContact O-N 3.17Å | ||
| 389 | T | 80.5 | Confident | 75.9 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -28.7 | 178.2 | -46.7 | 0 | 0 | 0 | 0 | 112.2 | N391 L392 L393 I439 N442 L443 E446 | T389-N391 VanDerWaalsContact C-N 3.3Å; T389-N391 PolarHBondContact O-N 3.2Å; T389-L392 HydrophobicContact CG2-CD2 4.44Å; T389-L392 WeakPolarHBondContact O-CB 3.4Å; T389-L392 PolarHBondContact O-N 3.42Å; T389-L393 WeakPolarHBondContact O-CG 3.5Å; T389-L393 PolarHBondContact O-N 2.91Å; T389-L393 VanDerWaalsContact O-N 3.09Å; T389-I439 HydrophobicContact CG2-CG2 3.97Å; T389-N442 HydrophobicContact CG2-CB 4.38Å; T389-N442 WeakPolarHBondContact OG1-CB 3.49Å; T389-L443 HydrophobicContact CG2-CD2 3.75Å; T389-L443 HydrophobicContact CG2-CG 3.86Å; T389-E446 WeakPolarHBondContact CB-OE2 3.08Å; T389-E446 PolarHBondContact N-OE2 3.27Å; T389-E446 PolarHBondContact OG1-OE2 3.09Å |
| 390 | T | 78.4 | Confident | 75.5 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 14% | 0.135 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.8 | -39.1 | 176 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | R388 L393 H394 D448 L450 | R388-T390 PolarHBondContact O-N 3.17Å; T390-L393 PolarHBondContact O-N 3.43Å; T390-H394 PolarHBondContact O-CD2 3.13Å; T390-H394 PolarHBondContact O-N 3.24Å; T390-H394 VanDerWaalsContact O-N 3.16Å; T390-D448 WeakPolarHBondContact CG2-OD2 3.47Å; T390-L450 HydrophobicContact CG2-CD1 3.75Å |
| 391 | N | 75.3 | Confident | 74.9 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.5 | -37.3 | -179 | -62.7 | -20.7 | 0 | 0 | 0 | 111.2 | Y387 R388 T389 L393 H394 S395 | Y387-N391 HydrophobicContact CE1-CB 3.69Å; Y387-N391 HydrophobicContact CE2-CB 4.47Å; Y387-N391 WeakPolarHBondContact OH-CB 3.46Å; R388-N391 PolarHBondContact O-N 3.36Å; R388-N391 VanDerWaalsContact O-N 3.17Å; T389-N391 VanDerWaalsContact C-N 3.3Å; T389-N391 PolarHBondContact O-N 3.2Å; N391-L393 VanDerWaalsContact C-N 3.32Å; N391-L393 PolarHBondContact O-N 3.22Å; N391-H394 PolarHBondContact O-N 3.14Å; N391-S395 PolarHBondContact O-N 3.41Å |
| 392 | L | 79 | Confident | 74.2 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 173.4 | 168.2 | 74.6 | 0 | 0 | 0 | 110.8 | L357 I378 Y387 T389 H394 S395 L396 I439 | L357-L392 HydrophobicContact CD1-CD1 3.45Å; L357-L392 VanDerWaalsContact CD1-CD1 3.45Å; L357-L392 HydrophobicContact CD2-CD1 3.82Å; L357-L392 HydrophobicContact CG-CD1 4.25Å; I378-L392 HydrophobicContact CD1-CD1 4.35Å; I378-L392 HydrophobicContact CD1-CD2 3.47Å; I378-L392 VanDerWaalsContact CD1-CD2 3.47Å; I378-L392 HydrophobicContact CG1-CD1 4.27Å; I378-L392 HydrophobicContact CG1-CD2 3.7Å; Y387-L392 HydrophobicContact CE1-CB 4.05Å; T389-L392 HydrophobicContact CG2-CD2 4.44Å; T389-L392 WeakPolarHBondContact O-CB 3.4Å; T389-L392 PolarHBondContact O-N 3.42Å; L392-H394 VanDerWaalsContact C-N 3.34Å; L392-H394 PolarHBondContact O-N 3.27Å; L392-S395 PolarHBondContact O-N 3.08Å; L392-L396 HydrophobicContact CD1-CD1 4.17Å; L392-L396 HydrophobicContact CD1-CG 4.38Å; L392-L396 HydrophobicContact CG-CD1 4Å; L392-L396 WeakPolarHBondContact O-CG 3.05Å; L392-L396 PolarHBondContact O-N 2.96Å; L392-I439 HydrophobicContact CD2-CD1 4.3Å; L392-I439 HydrophobicContact CD2-CG1 4.28Å |
| 393 | L | 82.6 | Confident | 73.4 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 179.2 | -68.1 | 172.7 | 0 | 0 | 0 | 112.2 | T389 T390 N391 L396 D397 I411 V415 I439 L443 L450 W454 | T389-L393 WeakPolarHBondContact O-CG 3.5Å; T389-L393 PolarHBondContact O-N 2.91Å; T389-L393 VanDerWaalsContact O-N 3.09Å; T390-L393 PolarHBondContact O-N 3.43Å; N391-L393 VanDerWaalsContact C-N 3.32Å; N391-L393 PolarHBondContact O-N 3.22Å; L393-L396 PolarHBondContact O-N 3.44Å; L393-D397 WeakPolarHBondContact O-CB 3.01Å; L393-D397 PolarHBondContact O-N 2.72Å; L393-I411 HydrophobicContact CB-CG2 4.07Å; L393-V415 HydrophobicContact CD2-CG1 4.38Å; L393-I439 HydrophobicContact CD2-CG2 4.43Å; L393-L443 HydrophobicContact CD1-CD2 4.27Å; L393-L450 HydrophobicContact CD1-CD1 4.3Å; L393-W454 HydrophobicContact CD2-CE3 3.86Å; L393-W454 HydrophobicContact CD2-CH2 4.09Å; L393-W454 HydrophobicContact CD2-CZ3 3.31Å |
| 394 | H | 79.5 | Confident | 72.7 | Confident | 109 Ų | 109 | 48.4 Ų | 48.4 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 174.6 | -79.6 | -68.2 | 0 | 0 | 0 | 112.9 | T390 N391 L392 D397 I411 | T390-H394 PolarHBondContact O-CD2 3.13Å; T390-H394 PolarHBondContact O-N 3.24Å; T390-H394 VanDerWaalsContact O-N 3.16Å; N391-H394 PolarHBondContact O-N 3.14Å; L392-H394 VanDerWaalsContact C-N 3.34Å; L392-H394 PolarHBondContact O-N 3.27Å; H394-D397 PolarHBondContact O-N 2.89Å; H394-I411 WeakPolarHBondContact CE1-CD1 3.29Å; H394-I411 WeakPolarHBondContact ND1-CD1 3.5Å |
| 395 | S | 75.8 | Confident | 72.4 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.9 | -31.7 | 175.9 | -70.3 | 0 | 0 | 0 | 0 | 113.1 | N358 N391 L392 S398 | N358-S395 PolarHBondContact OD1-OG 2.98Å; N391-S395 PolarHBondContact O-N 3.41Å; L392-S395 PolarHBondContact O-N 3.08Å; S395-S398 PolarHBondContact O-OG 2.6Å |
| 396 | L | 79.1 | Confident | 72 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.7 | -35.2 | 173.5 | -70.4 | 172.6 | 0 | 0 | 0 | 111.8 | V361 L374 L392 L393 S398 V399 F400 V415 F435 I439 | V361-L396 HydrophobicContact CG1-CD2 4.01Å; V361-L396 HydrophobicContact CG2-CD2 4.39Å; L374-L396 HydrophobicContact CD1-CD2 4.31Å; L392-L396 HydrophobicContact CD1-CD1 4.17Å; L392-L396 HydrophobicContact CD1-CG 4.38Å; L392-L396 HydrophobicContact CG-CD1 4Å; L392-L396 WeakPolarHBondContact O-CG 3.05Å; L392-L396 PolarHBondContact O-N 2.96Å; L393-L396 PolarHBondContact O-N 3.44Å; L396-S398 PolarHBondContact O-N 3.36Å; L396-V399 PolarHBondContact O-N 2.93Å; L396-F400 HydrophobicContact CB-CD2 4.28Å; L396-F400 HydrophobicContact CB-CE2 4.26Å; L396-F400 HydrophobicContact CD2-CE2 4.36Å; L396-F400 WeakPolarHBondContact O-CD2 3.45Å; L396-F400 PolarHBondContact O-N 3.46Å; L396-F400 VanDerWaalsContact O-N 3.08Å; L396-V415 HydrophobicContact CB-CG1 4.26Å; L396-V415 HydrophobicContact CB-CG2 3.98Å; L396-V415 HydrophobicContact CD1-CG1 4.27Å; L396-F435 HydrophobicContact CD1-CE1 4.48Å; L396-F435 HydrophobicContact CD1-CZ 4.06Å; L396-I439 HydrophobicContact CD1-CD1 4.34Å |
| 397 | D | 78.8 | Confident | 71.8 | Confident | 24 Ų | 24 | 49 Ų | 49 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | -179.5 | -169.6 | 46.7 | 0 | 0 | 0 | 112 | L393 H394 V399 F400 Q401 I411 R414 V415 | L393-D397 WeakPolarHBondContact O-CB 3.01Å; L393-D397 PolarHBondContact O-N 2.72Å; H394-D397 PolarHBondContact O-N 2.89Å; D397-V399 PolarHBondContact O-N 2.94Å; D397-F400 PolarHBondContact O-N 2.71Å; D397-F400 VanDerWaalsContact O-N 3.15Å; D397-Q401 WeakPolarHBondContact O-CB 3.45Å; D397-Q401 PolarHBondContact O-N 3.13Å; D397-I411 HydrophobicContact CB-CG1 4.3Å; D397-I411 HydrophobicContact CB-CG2 3.93Å; D397-I411 WeakPolarHBondContact OD2-CG1 3.28Å; D397-R414 VanDerWaalsContact OD1-CD 3.3Å; D397-R414 WeakPolarHBondContact OD1-CD 3.36Å; D397-R414 IonicContact OD1-NE 3.41Å; D397-R414 PolarHBondContact OD1-NE 3.41Å; D397-V415 HydrophobicContact CB-CG2 4.48Å |
| 398 | S | 72.9 | Confident | 71.5 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.5 | -26.5 | 178 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | S395 L396 | S395-S398 PolarHBondContact O-OG 2.6Å; L396-S398 PolarHBondContact O-N 3.36Å |
| 399 | V | 71.5 | Confident | 70.9 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -86.7 | -42.8 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | V361 L396 D397 Q401 F403 | V361-V399 HydrophobicContact CB-CB 4.48Å; V361-V399 HydrophobicContact CB-CG2 3.53Å; V361-V399 HydrophobicContact CG1-CB 3.63Å; V361-V399 HydrophobicContact CG1-CG1 3.85Å; V361-V399 HydrophobicContact CG1-CG2 3.21Å; V361-V399 WeakPolarHBondContact O-CG2 3.47Å; L396-V399 PolarHBondContact O-N 2.93Å; D397-V399 PolarHBondContact O-N 2.94Å; V399-Q401 VanDerWaalsContact C-N 3.27Å; V399-Q401 PolarHBondContact O-N 3.06Å; V399-F403 HydrophobicContact CG1-CE2 4.48Å; V399-F403 WeakPolarHBondContact O-CD2 2.99Å; V399-F403 WeakPolarHBondContact O-CE2 3.44Å |
| 400 | F | 76.5 | Confident | 70.7 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73.8 | -18 | 177.3 | -68.9 | -67.6 | 0 | 0 | 0 | 113.4 | C365 L396 D397 A402 F403 V404 R414 V415 G418 L419 I422 | C365-F400 HydrophobicContact CB-CE1 4.22Å; C365-F400 HydrophobicContact CB-CZ 4.05Å; L396-F400 HydrophobicContact CB-CD2 4.28Å; L396-F400 HydrophobicContact CB-CE2 4.26Å; L396-F400 HydrophobicContact CD2-CE2 4.36Å; L396-F400 WeakPolarHBondContact O-CD2 3.45Å; L396-F400 PolarHBondContact O-N 3.46Å; L396-F400 VanDerWaalsContact O-N 3.08Å; D397-F400 PolarHBondContact O-N 2.71Å; D397-F400 VanDerWaalsContact O-N 3.15Å; F400-A402 PolarHBondContact O-N 3.35Å; F400-F403 PolarHBondContact O-N 3Å; F400-V404 PolarHBondContact O-N 3.49Å; F400-R414 HydrophobicContact CB-CG 4.47Å; F400-V415 HydrophobicContact CD2-CB 4.22Å; F400-V415 HydrophobicContact CD2-CG1 4.04Å; F400-V415 HydrophobicContact CD2-CG2 4.06Å; F400-V415 HydrophobicContact CE2-CG1 3.95Å; F400-G418 VanDerWaalsContact CD1-CA 3.5Å; F400-L419 HydrophobicContact CZ-CD2 3.97Å; F400-L419 HydrophobicContact CZ-CG 4.22Å; F400-I422 HydrophobicContact CE1-CD1 3.93Å; F400-I422 HydrophobicContact CZ-CD1 4.31Å |
| 401 | Q | 71.8 | Confident | 70.7 | Confident | 114 Ų | 114 | 58.8 Ų | 58.8 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.8 | 174.5 | -159.9 | 173.3 | 17.8 | 0 | 0 | 113.3 | D397 V399 F403 | D397-Q401 WeakPolarHBondContact O-CB 3.45Å; D397-Q401 PolarHBondContact O-N 3.13Å; V399-Q401 VanDerWaalsContact C-N 3.27Å; V399-Q401 PolarHBondContact O-N 3.06Å; Q401-F403 VanDerWaalsContact C-N 3.29Å; Q401-F403 PolarHBondContact O-N 3.31Å |
| 402 | A | 65 | Low | 71 | Confident | 78 Ų | 78 | 57.3 Ų | 57.3 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | F400 | F400-A402 PolarHBondContact O-N 3.35Š|
| 403 | F | 60 | Low | 71 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 36% | 0.36 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -17.5 | -170.5 | -62.7 | -81.3 | 0 | 0 | 0 | 114.6 | Y366 V399 F400 Q401 K421 | Y366-F403 HydrophobicContact CD2-CE1 4.49Å; Y366-F403 AromaticContact CE2-CD1 3.96Å; Y366-F403 HydrophobicContact CE2-CD1 3.96Å; Y366-F403 AromaticContact CE2-CE1 3.97Å; Y366-F403 HydrophobicContact CE2-CE1 3.97Å; Y366-F403 HydrophobicContact CE2-CG 4.33Å; Y366-F403 HydrophobicContact CE2-CZ 4.36Å; V399-F403 HydrophobicContact CG1-CE2 4.48Å; V399-F403 WeakPolarHBondContact O-CD2 2.99Å; V399-F403 WeakPolarHBondContact O-CE2 3.44Å; F400-F403 PolarHBondContact O-N 3Å; Q401-F403 VanDerWaalsContact C-N 3.29Å; Q401-F403 PolarHBondContact O-N 3.31Å; F403-K421 PolarHBondContact O-NZ 2.97Å |
| 404 | V | 61.2 | Low | 71 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | trans | -112.8 | 97.9 | 179.7 | -175.8 | 0 | 0 | 0 | 0 | 107.9 | F400 D406 L409 R414 | F400-V404 PolarHBondContact O-N 3.49Å; V404-D406 HydrophobicContact CG1-CB 4.46Å; V404-D406 PolarHBondContact O-N 2.67Å; V404-L409 HydrophobicContact CG1-CD1 3.69Å; V404-R414 HydrophobicContact CB-CG 3.8Å; V404-R414 HydrophobicContact CG1-CG 4.06Å; V404-R414 HydrophobicContact CG2-CG 4.2Å | ||
| 405 | N | 61 | Low | 71.3 | Confident | 161 Ų | 161 | 53 Ų | 53 | 86% | 0.861 | 30% | 0.302 | S | S | * | . | trans | -63.8 | 0.8 | -176.2 | -72.5 | -1.2 | 0 | 0 | 0 | 115.1 | A407 | N405-A407 PolarHBondContact O-N 3.48Š| ||
| 406 | D | 58.1 | Low | 71.9 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | trans | -93.8 | 100.2 | -179.8 | -162 | -15.3 | 0 | 0 | 0 | 110.1 | V404 N408 L409 R414 | V404-D406 HydrophobicContact CG1-CB 4.46Å; V404-D406 PolarHBondContact O-N 2.67Å; D406-N408 PolarHBondContact O-N 3.14Å; D406-N408 WeakPolarHBondContact OD1-CB 3.07Å; D406-N408 PolarHBondContact OD1-N 2.89Å; D406-N408 VanDerWaalsContact OD1-N 3.13Å; D406-L409 HydrophobicContact CB-CD1 3.87Å; D406-L409 HydrophobicContact CB-CG 4.18Å; D406-R414 PolarHBondContact O-NH1 3.46Å; D406-R414 PolarHBondContact O-NH2 2.69Å | ||
| 407 | A | 58.7 | Low | 72.1 | Confident | 81 Ų | 81 | 53 Ų | 53 | 67% | 0.669 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N405 L409 R414 | N405-A407 PolarHBondContact O-N 3.48Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 2.93Å; A407-R414 PolarHBondContact O-NH2 3.24Å; A407-R414 VanDerWaalsContact O-NH2 3.1Å |
| 408 | N | 61.8 | Low | 72.4 | Confident | 152 Ų | 152 | 51.9 Ų | 51.9 | 81% | 0.813 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -12.4 | -175.2 | -64.1 | -35.4 | 0 | 0 | 0 | 113.9 | D406 E410 | D406-N408 PolarHBondContact O-N 3.14Å; D406-N408 WeakPolarHBondContact OD1-CB 3.07Å; D406-N408 PolarHBondContact OD1-N 2.89Å; D406-N408 VanDerWaalsContact OD1-N 3.13Å; N408-E410 PolarHBondContact O-N 3.31Å |
| 409 | L | 62.4 | Low | 73 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -71.4 | 127.9 | 177.8 | -74.1 | 166.5 | 0 | 0 | 0 | 111 | V404 D406 A407 R414 | V404-L409 HydrophobicContact CG1-CD1 3.69Å; D406-L409 HydrophobicContact CB-CD1 3.87Å; D406-L409 HydrophobicContact CB-CG 4.18Å; A407-L409 VanDerWaalsContact C-N 3.33Å; A407-L409 PolarHBondContact O-N 2.93Å; L409-R414 HydrophobicContact CB-CB 4.22Å; L409-R414 PolarHBondContact O-NH2 3.44Å |
| 410 | E | 74.8 | Confident | 73.7 | Confident | 125 Ų | 125 | 47.8 Ų | 47.8 | 58% | 0.584 | 27% | 0.267 | S | S | * | . | trans | -56.1 | 155 | 163.3 | -67 | -176.1 | 172.8 | 0 | 0 | 110.7 | N408 C412 G413 R414 V453 | N408-E410 PolarHBondContact O-N 3.31Å; E410-C412 VanDerWaalsContact C-N 3.29Å; E410-C412 PolarHBondContact O-N 3.39Å; E410-C412 VanDerWaalsContact O-N 3.13Å; E410-G413 WeakPolarHBondContact O-CA 3.3Å; E410-G413 PolarHBondContact O-N 3.48Å; E410-R414 PolarHBondContact O-N 3.32Å; E410-V453 HydrophobicContact CB-CG1 4.46Å; E410-V453 WeakPolarHBondContact OE2-CG1 3.5Å | ||
| 411 | I | 79.1 | Confident | 73.9 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -42 | -52.1 | -178.6 | -71.1 | 153.5 | 0 | 0 | 0 | 112.7 | L393 H394 D397 G413 R414 V415 | L393-I411 HydrophobicContact CB-CG2 4.07Å; H394-I411 WeakPolarHBondContact CE1-CD1 3.29Å; H394-I411 WeakPolarHBondContact ND1-CD1 3.5Å; D397-I411 HydrophobicContact CB-CG1 4.3Å; D397-I411 HydrophobicContact CB-CG2 3.93Å; D397-I411 WeakPolarHBondContact OD2-CG1 3.28Å; I411-G413 PolarHBondContact O-N 3.35Å; I411-R414 PolarHBondContact O-N 3.12Å; I411-V415 VanDerWaalsContact O-CG2 3.32Å; I411-V415 WeakPolarHBondContact O-CG2 3.19Å; I411-V415 PolarHBondContact O-N 3.45Å |
| 412 | C | 80.9 | Confident | 74.4 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 179.6 | -70.5 | 0 | 0 | 0 | 0 | 112.8 | E410 R414 V415 V416 V453 W454 | E410-C412 VanDerWaalsContact C-N 3.29Å; E410-C412 PolarHBondContact O-N 3.39Å; E410-C412 VanDerWaalsContact O-N 3.13Å; C412-R414 VanDerWaalsContact C-N 3.28Å; C412-R414 PolarHBondContact O-N 3.09Å; C412-V415 PolarHBondContact O-N 3.47Å; C412-V416 VanDerWaalsContact O-CG2 3.3Å; C412-V416 WeakPolarHBondContact O-CG2 3.14Å; C412-V416 PolarHBondContact O-N 2.73Å; C412-V453 HydrophobicContact CB-CB 4.01Å; C412-V453 HydrophobicContact CB-CG1 3.66Å; C412-W454 HydrophobicContact CB-CE3 4.37Å |
| 413 | G | 80.3 | Confident | 75.1 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -38.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E410 I411 S417 | E410-G413 WeakPolarHBondContact O-CA 3.3Å; E410-G413 PolarHBondContact O-N 3.48Å; I411-G413 PolarHBondContact O-N 3.35Å; G413-S417 VanDerWaalsContact O-CB 3.3Å; G413-S417 WeakPolarHBondContact O-CB 3.46Å; G413-S417 PolarHBondContact O-N 3.32Å |
| 414 | R | 82.9 | Confident | 75.9 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 6% | 0.064 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -47.8 | 177.4 | -159.4 | -175.2 | -51.6 | -94.6 | -12.3 | 112.3 | D397 F400 V404 D406 A407 L409 E410 I411 C412 S417 G418 | D397-R414 VanDerWaalsContact OD1-CD 3.3Å; D397-R414 WeakPolarHBondContact OD1-CD 3.36Å; D397-R414 IonicContact OD1-NE 3.41Å; D397-R414 PolarHBondContact OD1-NE 3.41Å; F400-R414 HydrophobicContact CB-CG 4.47Å; V404-R414 HydrophobicContact CB-CG 3.8Å; V404-R414 HydrophobicContact CG1-CG 4.06Å; V404-R414 HydrophobicContact CG2-CG 4.2Å; D406-R414 PolarHBondContact O-NH1 3.46Å; D406-R414 PolarHBondContact O-NH2 2.69Å; A407-R414 PolarHBondContact O-NH2 3.24Å; A407-R414 VanDerWaalsContact O-NH2 3.1Å; L409-R414 HydrophobicContact CB-CB 4.22Å; L409-R414 PolarHBondContact O-NH2 3.44Å; E410-R414 PolarHBondContact O-N 3.32Å; I411-R414 PolarHBondContact O-N 3.12Å; C412-R414 VanDerWaalsContact C-N 3.28Å; C412-R414 PolarHBondContact O-N 3.09Å; R414-S417 PolarHBondContact O-N 3.4Å; R414-G418 PolarHBondContact O-N 3.06Å |
| 415 | V | 85.5 | Confident | 76.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 111 | L393 L396 D397 F400 I411 C412 S417 G418 L419 W454 | L393-V415 HydrophobicContact CD2-CG1 4.38Å; L396-V415 HydrophobicContact CB-CG1 4.26Å; L396-V415 HydrophobicContact CB-CG2 3.98Å; L396-V415 HydrophobicContact CD1-CG1 4.27Å; D397-V415 HydrophobicContact CB-CG2 4.48Å; F400-V415 HydrophobicContact CD2-CB 4.22Å; F400-V415 HydrophobicContact CD2-CG1 4.04Å; F400-V415 HydrophobicContact CD2-CG2 4.06Å; F400-V415 HydrophobicContact CE2-CG1 3.95Å; I411-V415 VanDerWaalsContact O-CG2 3.32Å; I411-V415 WeakPolarHBondContact O-CG2 3.19Å; I411-V415 PolarHBondContact O-N 3.45Å; C412-V415 PolarHBondContact O-N 3.47Å; V415-S417 VanDerWaalsContact C-N 3.35Å; V415-S417 PolarHBondContact O-N 3.26Å; V415-G418 PolarHBondContact O-N 3.37Å; V415-L419 HydrophobicContact CG1-CD1 4.16Å; V415-L419 HydrophobicContact CG1-CG 4.46Å; V415-L419 WeakPolarHBondContact O-CG 3.42Å; V415-L419 PolarHBondContact O-N 2.93Å; V415-W454 HydrophobicContact CB-CZ3 4.05Å; V415-W454 HydrophobicContact CG1-CH2 3.79Å; V415-W454 HydrophobicContact CG1-CZ3 3.63Å |
| 416 | V | 88.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 178 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | C412 G418 L419 M420 Y436 W454 G457 L458 | C412-V416 VanDerWaalsContact O-CG2 3.3Å; C412-V416 WeakPolarHBondContact O-CG2 3.14Å; C412-V416 PolarHBondContact O-N 2.73Å; V416-G418 VanDerWaalsContact C-N 3.28Å; V416-G418 PolarHBondContact O-N 2.7Å; V416-L419 PolarHBondContact O-N 2.95Å; V416-M420 HydrophobicContact CG1-CG 4.1Å; V416-M420 WeakPolarHBondContact O-CB 3.38Å; V416-M420 VanDerWaalsContact O-CG 3.32Å; V416-M420 WeakPolarHBondContact O-CG 3.12Å; V416-M420 PolarHBondContact O-N 3.44Å; V416-Y436 HydrophobicContact CG1-CE2 4.05Å; V416-Y436 HydrophobicContact CG2-CE2 4.12Å; V416-W454 HydrophobicContact CG2-CD2 3.54Å; V416-W454 HydrophobicContact CG2-CE3 3.46Å; V416-W454 VanDerWaalsContact CG2-CE3 3.46Å; V416-W454 HydrophobicContact CG2-CG 4.15Å; V416-W454 HydrophobicContact CG2-CH2 3.97Å; V416-W454 HydrophobicContact CG2-CZ2 4.05Å; V416-W454 HydrophobicContact CG2-CZ3 3.66Å; V416-G457 VanDerWaalsContact CG1-C 3.47Å; V416-L458 HydrophobicContact CG1-CB 4.19Å |
| 417 | S | 83 | Confident | 77.3 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -39.3 | 175.1 | -173.3 | 0 | 0 | 0 | 0 | 112.8 | G413 R414 V415 K421 | G413-S417 VanDerWaalsContact O-CB 3.3Å; G413-S417 WeakPolarHBondContact O-CB 3.46Å; G413-S417 PolarHBondContact O-N 3.32Å; R414-S417 PolarHBondContact O-N 3.4Å; V415-S417 VanDerWaalsContact C-N 3.35Å; V415-S417 PolarHBondContact O-N 3.26Å; S417-K421 WeakPolarHBondContact O-CG 3.48Å; S417-K421 PolarHBondContact O-N 3.48Å; S417-K421 VanDerWaalsContact O-N 3.07Å |
| 418 | G | 83.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.6 | -48.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F400 R414 V415 V416 M420 K421 I422 | F400-G418 VanDerWaalsContact CD1-CA 3.5Å; R414-G418 PolarHBondContact O-N 3.06Å; V415-G418 PolarHBondContact O-N 3.37Å; V416-G418 VanDerWaalsContact C-N 3.28Å; V416-G418 PolarHBondContact O-N 2.7Å; G418-M420 VanDerWaalsContact C-N 3.3Å; G418-M420 PolarHBondContact O-N 2.82Å; G418-K421 PolarHBondContact O-N 3.16Å; G418-I422 WeakPolarHBondContact O-CG1 3.3Å; G418-I422 PolarHBondContact O-N 2.76Å; G418-I422 VanDerWaalsContact O-N 3.16Å |
| 419 | L | 85.7 | Confident | 79 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | 177.3 | -69.9 | 174.4 | 0 | 0 | 0 | 112.5 | F400 V415 V416 I422 A423 I432 F435 Y436 W454 | F400-L419 HydrophobicContact CZ-CD2 3.97Å; F400-L419 HydrophobicContact CZ-CG 4.22Å; V415-L419 HydrophobicContact CG1-CD1 4.16Å; V415-L419 HydrophobicContact CG1-CG 4.46Å; V415-L419 WeakPolarHBondContact O-CG 3.42Å; V415-L419 PolarHBondContact O-N 2.93Å; V416-L419 PolarHBondContact O-N 2.95Å; L419-I422 WeakPolarHBondContact O-CB 3.45Å; L419-I422 PolarHBondContact O-N 3.41Å; L419-A423 PolarHBondContact O-N 3.12Å; L419-I432 HydrophobicContact CD2-CD1 3.86Å; L419-F435 HydrophobicContact CD1-CD1 3.93Å; L419-F435 HydrophobicContact CD1-CE1 3.89Å; L419-F435 HydrophobicContact CD2-CD1 3.67Å; L419-F435 HydrophobicContact CD2-CE1 3.68Å; L419-F435 HydrophobicContact CG-CD1 4.48Å; L419-F435 HydrophobicContact CG-CE1 4.41Å; L419-Y436 HydrophobicContact CD1-CD2 4.46Å; L419-W454 HydrophobicContact CD1-CH2 3.71Å; L419-W454 HydrophobicContact CD1-CZ2 4.04Å |
| 420 | M | 86.6 | Confident | 79.7 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.9 | -33.8 | 179.6 | -70.3 | -49.7 | 106 | 0 | 0 | 112.6 | V416 G418 I422 A423 D424 I432 Y436 L458 T461 F470 I478 | V416-M420 HydrophobicContact CG1-CG 4.1Å; V416-M420 WeakPolarHBondContact O-CB 3.38Å; V416-M420 VanDerWaalsContact O-CG 3.32Å; V416-M420 WeakPolarHBondContact O-CG 3.12Å; V416-M420 PolarHBondContact O-N 3.44Å; G418-M420 VanDerWaalsContact C-N 3.3Å; G418-M420 PolarHBondContact O-N 2.82Å; M420-I422 PolarHBondContact O-N 2.99Å; M420-A423 HydrophobicContact CE-CB 4.46Å; M420-A423 PolarHBondContact O-N 3.48Å; M420-A423 HydrophobicContact SD-CB 4.27Å; M420-D424 PolarHBondContact O-N 2.95Å; M420-I432 HydrophobicContact CE-CG2 4.11Å; M420-Y436 HydrophobicContact CE-CD2 3.96Å; M420-Y436 HydrophobicContact CE-CE2 4.43Å; M420-Y436 HydrophobicContact CE-CG 4.46Å; M420-L458 HydrophobicContact CE-CD1 4.15Å; M420-L458 HydrophobicContact CG-CD1 3.99Å; M420-L458 HydrophobicContact SD-CD1 3.35Å; M420-L458 WeakPolarHBondContact SD-CD1 3.35Å; M420-T461 HydrophobicContact CB-CG2 4.01Å; M420-T461 HydrophobicContact CG-CG2 4.31Å; M420-T461 WeakPolarHBondContact CG-OG1 3.44Å; M420-F470 HydrophobicContact CB-CE2 3.69Å; M420-F470 HydrophobicContact CB-CZ 3.7Å; M420-F470 HydrophobicContact CG-CE2 4.22Å; M420-F470 HydrophobicContact CG-CZ 3.96Å; M420-F470 VanDerWaalsContact O-CE2 3.28Å; M420-F470 WeakPolarHBondContact O-CE2 3.16Å; M420-F470 HydrophobicContact SD-CE2 3.98Å; M420-F470 HydrophobicContact SD-CZ 3.96Å; M420-I478 HydrophobicContact CE-CD1 3.82Å; M420-I478 HydrophobicContact SD-CD1 3.8Å |
| 421 | K | 81.7 | Confident | 79.9 | Confident | 107 Ų | 107 | 28.3 Ų | 28.3 | 47% | 0.465 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -60 | -34.4 | 167.5 | -78 | -176.4 | -179.1 | -173.6 | 0 | 112.1 | F403 S417 G418 | F403-K421 PolarHBondContact O-NZ 2.97Å; S417-K421 WeakPolarHBondContact O-CG 3.48Å; S417-K421 PolarHBondContact O-N 3.48Å; S417-K421 VanDerWaalsContact O-N 3.07Å; G418-K421 PolarHBondContact O-N 3.16Å |
| 422 | I | 80.9 | Confident | 80.3 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -74.8 | -38.3 | 175.2 | -59.8 | 163.6 | 0 | 0 | 0 | 110.9 | C365 Y366 I371 F400 G418 L419 M420 D424 D425 L428 I432 | C365-I422 HydrophobicContact CB-CD1 4.25Å; Y366-I422 HydrophobicContact CD1-CD1 4.48Å; Y366-I422 HydrophobicContact CD1-CG1 3.69Å; Y366-I422 HydrophobicContact CD1-CG2 4.47Å; Y366-I422 HydrophobicContact CE1-CB 4.34Å; Y366-I422 HydrophobicContact CE1-CD1 4.4Å; Y366-I422 HydrophobicContact CE1-CG1 3.4Å; Y366-I422 HydrophobicContact CE2-CG1 4.42Å; Y366-I422 HydrophobicContact CG-CG1 4.32Å; I371-I422 HydrophobicContact CD1-CG2 4.04Å; F400-I422 HydrophobicContact CE1-CD1 3.93Å; F400-I422 HydrophobicContact CZ-CD1 4.31Å; G418-I422 WeakPolarHBondContact O-CG1 3.3Å; G418-I422 PolarHBondContact O-N 2.76Å; G418-I422 VanDerWaalsContact O-N 3.16Å; L419-I422 WeakPolarHBondContact O-CB 3.45Å; L419-I422 PolarHBondContact O-N 3.41Å; M420-I422 PolarHBondContact O-N 2.99Å; I422-D424 PolarHBondContact O-N 3.44Å; I422-D425 WeakPolarHBondContact O-CB 3.38Å; I422-D425 PolarHBondContact O-N 3.26Å; I422-L428 HydrophobicContact CG2-CB 4.12Å; I422-L428 HydrophobicContact CG2-CD1 3.48Å; I422-L428 VanDerWaalsContact CG2-CD1 3.48Å; I422-L428 HydrophobicContact CG2-CG 4.44Å; I422-I432 HydrophobicContact CB-CD1 4.06Å; I422-I432 HydrophobicContact CB-CG1 4.39Å; I422-I432 HydrophobicContact CG2-CD1 3.78Å; I422-I432 HydrophobicContact CG2-CG1 3.93Å |
| 423 | A | 80.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -18.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | L419 M420 D425 I432 F470 T473 | L419-A423 PolarHBondContact O-N 3.12Å; M420-A423 HydrophobicContact CE-CB 4.46Å; M420-A423 PolarHBondContact O-N 3.48Å; M420-A423 HydrophobicContact SD-CB 4.27Å; A423-D425 PolarHBondContact O-N 3.34Å; A423-I432 HydrophobicContact CB-CB 4.44Å; A423-I432 HydrophobicContact CB-CG2 3.9Å; A423-F470 HydrophobicContact CB-CE2 4.31Å; A423-T473 WeakPolarHBondContact O-CG2 3.45Å |
| 424 | D | 76.7 | Confident | 80.9 | Confident | 47 Ų | 47 | 29.7 Ų | 29.7 | 25% | 0.251 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20 | 172.7 | -155.8 | 12.9 | 0 | 0 | 0 | 112.1 | M420 I422 P426 N467 T469 F470 | M420-D424 PolarHBondContact O-N 2.95Å; I422-D424 PolarHBondContact O-N 3.44Å; D424-P426 VanDerWaalsContact O-CD 3.28Å; D424-P426 WeakPolarHBondContact O-CD 3.36Å; D424-N467 VanDerWaalsContact CG-ND2 3.34Å; D424-N467 PolarHBondContact OD1-ND2 2.92Å; D424-N467 PolarHBondContact OD2-ND2 3.15Å; D424-T469 PolarHBondContact OD1-OG1 3.16Å; D424-F470 HydrophobicContact CB-CD2 4.25Å; D424-F470 WeakPolarHBondContact OD1-CB 3.43Å; D424-F470 PolarHBondContact OD1-N 3.34Å |
| 425 | D | 74.2 | Confident | 81.2 | Confident | 72 Ų | 72 | 29.1 Ų | 29.1 | 39% | 0.385 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -81.1 | 111.9 | 165.8 | -172.2 | -19.5 | 0 | 0 | 0 | 110.8 | I422 A423 S427 L428 A429 | I422-D425 WeakPolarHBondContact O-CB 3.38Å; I422-D425 PolarHBondContact O-N 3.26Å; A423-D425 PolarHBondContact O-N 3.34Å; D425-S427 PolarHBondContact O-N 3.23Å; D425-S427 WeakPolarHBondContact OD1-CB 3.47Å; D425-S427 PolarHBondContact OD1-N 3.43Å; D425-S427 PolarHBondContact OD1-OG 3.36Å; D425-S427 PolarHBondContact OD2-OG 3.24Å; D425-S427 VanDerWaalsContact OD2-OG 3.07Å; D425-L428 HydrophobicContact CB-CB 4.49Å; D425-L428 HydrophobicContact CB-CD1 4.35Å; D425-L428 HydrophobicContact CB-CG 4.44Å; D425-L428 PolarHBondContact O-N 2.96Å; D425-A429 PolarHBondContact O-N 3.41Å; D425-A429 VanDerWaalsContact O-N 3.17Å |
| 426 | P | 67.3 | Low | 81.4 | Confident | 88 Ų | 88 | 29.1 Ų | 29.1 | 57% | 0.571 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.6 | 179.7 | -19 | 31.6 | 0 | 0 | 0 | 113.4 | D424 L428 A429 | D424-P426 VanDerWaalsContact O-CD 3.28Å; D424-P426 WeakPolarHBondContact O-CD 3.36Å; P426-L428 VanDerWaalsContact C-N 3.3Å; P426-A429 WeakPolarHBondContact O-CB 3.29Å |
| 427 | S | 69.1 | Low | 81.5 | Confident | 73 Ų | 73 | 29.3 Ų | 29.3 | 51% | 0.51 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -19.5 | 179.2 | 77.4 | 0 | 0 | 0 | 0 | 113.5 | D425 | D425-S427 PolarHBondContact O-N 3.23Å; D425-S427 WeakPolarHBondContact OD1-CB 3.47Å; D425-S427 PolarHBondContact OD1-N 3.43Å; D425-S427 PolarHBondContact OD1-OG 3.36Å; D425-S427 PolarHBondContact OD2-OG 3.24Å; D425-S427 VanDerWaalsContact OD2-OG 3.07Å |
| 428 | L | 76.7 | Confident | 81.7 | Confident | 12 Ų | 12 | 30 Ų | 30 | 6% | 0.063 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -10.9 | 176.9 | -61.5 | 177 | 0 | 0 | 0 | 112.4 | R368 I371 I422 D425 P426 S430 E431 I432 | R368-L428 HydrophobicContact CB-CD2 3.73Å; R368-L428 HydrophobicContact CG-CD2 4.19Å; I371-L428 HydrophobicContact CD1-CD1 4.49Å; I371-L428 HydrophobicContact CD1-CD2 4.4Å; I422-L428 HydrophobicContact CG2-CB 4.12Å; I422-L428 HydrophobicContact CG2-CD1 3.48Å; I422-L428 VanDerWaalsContact CG2-CD1 3.48Å; I422-L428 HydrophobicContact CG2-CG 4.44Å; D425-L428 HydrophobicContact CB-CB 4.49Å; D425-L428 HydrophobicContact CB-CD1 4.35Å; D425-L428 HydrophobicContact CB-CG 4.44Å; D425-L428 PolarHBondContact O-N 2.96Å; P426-L428 VanDerWaalsContact C-N 3.3Å; L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 3.34Å; L428-E431 PolarHBondContact O-N 3.2Å; L428-I432 HydrophobicContact CB-CG1 4.41Å; L428-I432 WeakPolarHBondContact O-CG1 3.48Å; L428-I432 PolarHBondContact O-N 3.16Å |
| 429 | A | 78.1 | Confident | 82 | Confident | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.9 | -41.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | D425 P426 S433 T473 | D425-A429 PolarHBondContact O-N 3.41Å; D425-A429 VanDerWaalsContact O-N 3.17Å; P426-A429 WeakPolarHBondContact O-CB 3.29Å; A429-S433 VanDerWaalsContact O-CB 3.23Å; A429-S433 WeakPolarHBondContact O-CB 3.4Å; A429-S433 PolarHBondContact O-N 2.93Å; A429-T473 HydrophobicContact CB-CG2 3.28Å |
| 430 | S | 76.8 | Confident | 82.2 | Confident | 67 Ų | 67 | 29.8 Ų | 29.8 | 47% | 0.469 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.2 | -44.5 | 179.6 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | L428 S433 E434 | L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 3.34Å; S430-S433 WeakPolarHBondContact O-CB 3.27Å; S430-S433 PolarHBondContact O-N 3.29Å; S430-E434 PolarHBondContact O-N 2.96Å |
| 431 | E | 80.3 | Confident | 82.3 | Confident | 22 Ų | 22 | 31.4 Ų | 31.4 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.1 | -40.2 | -179.8 | -74.2 | 76.6 | 174.8 | 0 | 0 | 110.7 | R368 I371 L428 E434 F435 | R368-E431 HydrophobicContact CG-CG 4.29Å; R368-E431 IonicContact CZ-OE1 2.72Å; R368-E431 IonicContact NE-OE1 3.1Å; R368-E431 PolarHBondContact NE-OE1 3.12Å; R368-E431 IonicContact NH2-OE1 3.18Å; R368-E431 PolarHBondContact NH2-OE1 3.38Å; I371-E431 HydrophobicContact CG2-CB 3.96Å; L428-E431 PolarHBondContact O-N 3.2Å; E431-E434 PolarHBondContact O-N 3.43Å; E431-F435 VanDerWaalsContact O-CB 3.31Å; E431-F435 WeakPolarHBondContact O-CB 3.46Å; E431-F435 PolarHBondContact O-N 3.26Å |
| 432 | I | 86.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 173.1 | -66.4 | -69.1 | 0 | 0 | 0 | 111 | I371 L419 M420 I422 A423 L428 E434 F435 Y436 | I371-I432 HydrophobicContact CD1-CD1 3.66Å; I371-I432 HydrophobicContact CD1-CG1 4.22Å; I371-I432 HydrophobicContact CG1-CD1 4.23Å; I371-I432 HydrophobicContact CG2-CD1 4.23Å; L419-I432 HydrophobicContact CD2-CD1 3.86Å; M420-I432 HydrophobicContact CE-CG2 4.11Å; I422-I432 HydrophobicContact CB-CD1 4.06Å; I422-I432 HydrophobicContact CB-CG1 4.39Å; I422-I432 HydrophobicContact CG2-CD1 3.78Å; I422-I432 HydrophobicContact CG2-CG1 3.93Å; A423-I432 HydrophobicContact CB-CB 4.44Å; A423-I432 HydrophobicContact CB-CG2 3.9Å; L428-I432 HydrophobicContact CB-CG1 4.41Å; L428-I432 WeakPolarHBondContact O-CG1 3.48Å; L428-I432 PolarHBondContact O-N 3.16Å; I432-E434 VanDerWaalsContact C-N 3.33Å; I432-E434 PolarHBondContact O-N 2.87Å; I432-F435 PolarHBondContact O-N 2.94Å; I432-Y436 WeakPolarHBondContact O-CB 3.36Å; I432-Y436 PolarHBondContact O-N 3.47Å |
| 433 | S | 87.3 | Confident | 82.9 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -46.4 | 175.1 | 173 | 0 | 0 | 0 | 0 | 111.2 | A429 S430 T437 N477 S481 | A429-S433 VanDerWaalsContact O-CB 3.23Å; A429-S433 WeakPolarHBondContact O-CB 3.4Å; A429-S433 PolarHBondContact O-N 2.93Å; S430-S433 WeakPolarHBondContact O-CB 3.27Å; S430-S433 PolarHBondContact O-N 3.29Å; S433-T437 WeakPolarHBondContact O-CB 3.47Å; S433-T437 PolarHBondContact O-N 2.95Å; S433-T437 PolarHBondContact O-OG1 3.3Å; S433-N477 VanDerWaalsContact OG-C 3.31Å; S433-N477 PolarHBondContact OG-O 2.94Å; S433-S481 WeakPolarHBondContact OG-CB 3.03Å |
| 434 | E | 85.9 | Confident | 83.2 | Confident | 86 Ų | 86 | 30.1 Ų | 30.1 | 40% | 0.402 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 177.6 | -168.5 | 176.1 | -157 | 0 | 0 | 111.8 | T375 R379 S430 E431 I432 L438 | T375-E434 HydrophobicContact CG2-CG 3.92Å; R379-E434 IonicContact CZ-OE1 3.13Å; R379-E434 IonicContact NH1-OE1 3.68Å; R379-E434 IonicContact NH2-OE1 3.71Å; R379-E434 PolarHBondContact NH2-OE1 3.39Å; S430-E434 PolarHBondContact O-N 2.96Å; E431-E434 PolarHBondContact O-N 3.43Å; I432-E434 VanDerWaalsContact C-N 3.33Å; I432-E434 PolarHBondContact O-N 2.87Å; E434-L438 VanDerWaalsContact O-CB 3.31Å; E434-L438 WeakPolarHBondContact O-CB 3.22Å; E434-L438 PolarHBondContact O-N 3.49Å |
| 435 | F | 89.3 | Confident | 83.5 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 2% | 0.022 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -52.7 | 178.1 | -175.2 | -109.5 | 0 | 0 | 0 | 112.5 | I371 L374 T375 I378 L396 L419 E431 I432 T437 L438 I439 | I371-F435 HydrophobicContact CG2-CB 4.19Å; I371-F435 HydrophobicContact CG2-CG 4.48Å; L374-F435 HydrophobicContact CB-CD2 4.38Å; L374-F435 HydrophobicContact CB-CE2 3.68Å; L374-F435 HydrophobicContact CB-CZ 4.36Å; L374-F435 HydrophobicContact CD1-CZ 4.5Å; T375-F435 WeakPolarHBondContact OG1-CB 3.39Å; T375-F435 WeakPolarHBondContact OG1-CD2 3.3Å; I378-F435 HydrophobicContact CD1-CD2 3.92Å; I378-F435 HydrophobicContact CD1-CE2 3.22Å; I378-F435 HydrophobicContact CD1-CZ 3.88Å; I378-F435 HydrophobicContact CG1-CE2 4.46Å; L396-F435 HydrophobicContact CD1-CE1 4.48Å; L396-F435 HydrophobicContact CD1-CZ 4.06Å; L419-F435 HydrophobicContact CD1-CD1 3.93Å; L419-F435 HydrophobicContact CD1-CE1 3.89Å; L419-F435 HydrophobicContact CD2-CD1 3.67Å; L419-F435 HydrophobicContact CD2-CE1 3.68Å; L419-F435 HydrophobicContact CG-CD1 4.48Å; L419-F435 HydrophobicContact CG-CE1 4.41Å; E431-F435 VanDerWaalsContact O-CB 3.31Å; E431-F435 WeakPolarHBondContact O-CB 3.46Å; E431-F435 PolarHBondContact O-N 3.26Å; I432-F435 PolarHBondContact O-N 2.94Å; F435-T437 VanDerWaalsContact C-N 3.32Å; F435-T437 PolarHBondContact O-N 3.1Å; F435-L438 PolarHBondContact O-N 3.31Å; F435-I439 HydrophobicContact CD1-CD1 4.05Å; F435-I439 HydrophobicContact CE1-CD1 3.47Å; F435-I439 VanDerWaalsContact CE1-CD1 3.47Å; F435-I439 HydrophobicContact CE2-CD1 4.11Å; F435-I439 HydrophobicContact CZ-CD1 3.53Å; F435-I439 PolarHBondContact O-N 3.11Å; F435-I439 VanDerWaalsContact O-N 3.09Å |
| 436 | Y | 90.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 179.1 | -179.9 | -88 | 0 | 0 | 0 | 110.9 | V416 L419 M420 I432 L438 I439 T440 W454 L458 I478 L482 | V416-Y436 HydrophobicContact CG1-CE2 4.05Å; V416-Y436 HydrophobicContact CG2-CE2 4.12Å; L419-Y436 HydrophobicContact CD1-CD2 4.46Å; M420-Y436 HydrophobicContact CE-CD2 3.96Å; M420-Y436 HydrophobicContact CE-CE2 4.43Å; M420-Y436 HydrophobicContact CE-CG 4.46Å; I432-Y436 WeakPolarHBondContact O-CB 3.36Å; I432-Y436 PolarHBondContact O-N 3.47Å; Y436-L438 VanDerWaalsContact C-N 3.33Å; Y436-L438 PolarHBondContact O-N 2.92Å; Y436-I439 PolarHBondContact O-N 3.04Å; Y436-T440 WeakPolarHBondContact CE1-OG1 3.31Å; Y436-T440 WeakPolarHBondContact O-CB 3.47Å; Y436-T440 PolarHBondContact O-N 3.21Å; Y436-T440 PolarHBondContact O-OG1 3.33Å; Y436-W454 AromaticContact CD2-CE2 3.88Å; Y436-W454 AromaticContact CD2-CZ2 3.65Å; Y436-W454 HydrophobicContact CD2-CZ2 3.65Å; Y436-W454 AromaticContact CD2-NE1 3.72Å; Y436-W454 AromaticContact CE2-CD1 3.99Å; Y436-W454 AromaticContact CE2-CE2 3.61Å; Y436-W454 AromaticContact CE2-CZ2 3.86Å; Y436-W454 HydrophobicContact CE2-CZ2 3.86Å; Y436-W454 AromaticContact CE2-NE1 3.22Å; Y436-W454 HydrophobicContact CG-CZ2 4.46Å; Y436-W454 AromaticContact CZ-CD1 3.86Å; Y436-W454 AromaticContact CZ-NE1 3.37Å; Y436-L458 HydrophobicContact CE1-CD2 4.03Å; Y436-L458 HydrophobicContact CE2-CB 4.41Å; Y436-L458 WeakPolarHBondContact OH-CB 3.4Å; Y436-I478 HydrophobicContact CD1-CG2 3.82Å; Y436-I478 HydrophobicContact CE1-CG2 4.17Å; Y436-L482 HydrophobicContact CD1-CD2 4.14Å; Y436-L482 HydrophobicContact CE1-CD1 4.04Å; Y436-L482 HydrophobicContact CE1-CD2 4Å; Y436-L482 HydrophobicContact CE1-CG 4.46Å |
| 437 | T | 89.4 | Confident | 84.5 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 179.5 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | S433 F435 T440 Q441 S481 L482 T485 | S433-T437 WeakPolarHBondContact O-CB 3.47Å; S433-T437 PolarHBondContact O-N 2.95Å; S433-T437 PolarHBondContact O-OG1 3.3Å; F435-T437 VanDerWaalsContact C-N 3.32Å; F435-T437 PolarHBondContact O-N 3.1Å; T437-T440 PolarHBondContact O-N 3.28Å; T437-Q441 WeakPolarHBondContact O-CB 3.25Å; T437-Q441 PolarHBondContact O-N 2.95Å; T437-S481 WeakPolarHBondContact OG1-CB 3.3Å; T437-S481 PolarHBondContact OG1-OG 3.11Å; T437-S481 VanDerWaalsContact OG1-OG 3.12Å; T437-L482 HydrophobicContact CG2-CD2 4.25Å; T437-T485 HydrophobicContact CG2-CG2 3.99Å; T437-T485 WeakPolarHBondContact CG2-OG1 3.4Å |
| 438 | L | 87.7 | Confident | 85.1 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 15% | 0.152 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -45.2 | 178.8 | -174.5 | 65.3 | 0 | 0 | 0 | 112.3 | T375 I378 R379 E434 F435 Y436 Q441 N442 | T375-L438 HydrophobicContact CG2-CD2 4.18Å; T375-L438 VanDerWaalsContact O-CD2 3.32Å; T375-L438 WeakPolarHBondContact O-CD2 3.14Å; I378-L438 HydrophobicContact CB-CD2 3.72Å; I378-L438 HydrophobicContact CB-CG 4.45Å; I378-L438 HydrophobicContact CG2-CD2 3.54Å; I378-L438 HydrophobicContact CG2-CG 3.72Å; R379-L438 HydrophobicContact CB-CD2 4.12Å; E434-L438 VanDerWaalsContact O-CB 3.31Å; E434-L438 WeakPolarHBondContact O-CB 3.22Å; E434-L438 PolarHBondContact O-N 3.49Å; F435-L438 PolarHBondContact O-N 3.31Å; Y436-L438 VanDerWaalsContact C-N 3.33Å; Y436-L438 PolarHBondContact O-N 2.92Å; L438-Q441 PolarHBondContact O-N 3.37Å; L438-N442 PolarHBondContact O-N 3Å |
| 439 | I | 90.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 175.1 | -67.6 | 176.5 | 0 | 0 | 0 | 110.5 | I378 T389 L392 L393 L396 F435 Y436 Q441 N442 L443 W454 | I378-I439 HydrophobicContact CD1-CD1 4.04Å; I378-I439 HydrophobicContact CD1-CG1 3.8Å; T389-I439 HydrophobicContact CG2-CG2 3.97Å; L392-I439 HydrophobicContact CD2-CD1 4.3Å; L392-I439 HydrophobicContact CD2-CG1 4.28Å; L393-I439 HydrophobicContact CD2-CG2 4.43Å; L396-I439 HydrophobicContact CD1-CD1 4.34Å; F435-I439 HydrophobicContact CD1-CD1 4.05Å; F435-I439 HydrophobicContact CE1-CD1 3.47Å; F435-I439 VanDerWaalsContact CE1-CD1 3.47Å; F435-I439 HydrophobicContact CE2-CD1 4.11Å; F435-I439 HydrophobicContact CZ-CD1 3.53Å; F435-I439 PolarHBondContact O-N 3.11Å; F435-I439 VanDerWaalsContact O-N 3.09Å; Y436-I439 PolarHBondContact O-N 3.04Å; I439-Q441 VanDerWaalsContact C-N 3.29Å; I439-Q441 PolarHBondContact O-N 3.33Å; I439-N442 PolarHBondContact O-N 3.15Å; I439-N442 VanDerWaalsContact O-N 3.14Å; I439-L443 HydrophobicContact CG2-CD1 4.07Å; I439-L443 HydrophobicContact CG2-CG 4.41Å; I439-L443 PolarHBondContact O-N 2.82Å; I439-W454 HydrophobicContact CB-CH2 4.31Å; I439-W454 HydrophobicContact CB-CZ2 3.86Å; I439-W454 HydrophobicContact CD1-CH2 3.85Å; I439-W454 HydrophobicContact CD1-CZ2 4.12Å; I439-W454 HydrophobicContact CG2-CD2 4.22Å; I439-W454 HydrophobicContact CG2-CE3 4.37Å; I439-W454 HydrophobicContact CG2-CH2 3.76Å; I439-W454 HydrophobicContact CG2-CZ2 3.56Å; I439-W454 HydrophobicContact CG2-CZ3 4.17Å |
| 440 | T | 90.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.9 | -44.1 | 179.3 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | Y436 T437 Y444 W454 L455 L482 L489 | Y436-T440 WeakPolarHBondContact CE1-OG1 3.31Å; Y436-T440 WeakPolarHBondContact O-CB 3.47Å; Y436-T440 PolarHBondContact O-N 3.21Å; Y436-T440 PolarHBondContact O-OG1 3.33Å; T437-T440 PolarHBondContact O-N 3.28Å; T440-Y444 PolarHBondContact O-N 3.5Å; T440-Y444 VanDerWaalsContact O-N 3.1Å; T440-W454 PolarHBondContact OG1-NE1 3.46Å; T440-L455 HydrophobicContact CG2-CD2 3.71Å; T440-L482 HydrophobicContact CG2-CD2 3.98Å; T440-L489 HydrophobicContact CG2-CB 4.49Å; T440-L489 HydrophobicContact CG2-CD1 3.84Å; T440-L489 HydrophobicContact CG2-CD2 3.86Å; T440-L489 HydrophobicContact CG2-CG 4.27Å |
| 441 | Q | 88.2 | Confident | 86.1 | Confident | 36 Ų | 36 | 34.1 Ų | 34.1 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.8 | -37.4 | 178.1 | -177.9 | 63.6 | 6.2 | 0 | 0 | 112.4 | T437 L438 I439 Y444 I445 T485 N486 | T437-Q441 WeakPolarHBondContact O-CB 3.25Å; T437-Q441 PolarHBondContact O-N 2.95Å; L438-Q441 PolarHBondContact O-N 3.37Å; I439-Q441 VanDerWaalsContact C-N 3.29Å; I439-Q441 PolarHBondContact O-N 3.33Å; Q441-Y444 PolarHBondContact O-N 2.94Å; Q441-I445 HydrophobicContact CG-CD1 3.87Å; Q441-I445 VanDerWaalsContact O-CG1 3.27Å; Q441-I445 WeakPolarHBondContact O-CG1 3.5Å; Q441-I445 PolarHBondContact O-N 3.43Å; Q441-T485 HydrophobicContact CB-CG2 4.04Å; Q441-T485 HydrophobicContact CG-CG2 3.91Å; Q441-N486 PolarHBondContact OE1-ND2 3.3Å |
| 442 | N | 87.5 | Confident | 86.2 | Confident | 21 Ų | 21 | 37.2 Ų | 37.2 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.8 | -48.1 | 176.1 | -73.8 | -14.4 | 0 | 0 | 0 | 111.7 | I378 S382 T389 L438 I439 Y444 I445 E446 | I378-N442 VanDerWaalsContact CG2-ND2 3.26Å; I378-N442 WeakPolarHBondContact CG2-ND2 3.28Å; S382-N442 PolarHBondContact OG-ND2 3.01Å; S382-N442 PolarHBondContact OG-OD1 2.94Å; T389-N442 HydrophobicContact CG2-CB 4.38Å; T389-N442 WeakPolarHBondContact OG1-CB 3.49Å; L438-N442 PolarHBondContact O-N 3Å; I439-N442 PolarHBondContact O-N 3.15Å; I439-N442 VanDerWaalsContact O-N 3.14Å; N442-Y444 PolarHBondContact O-N 3.06Å; N442-I445 PolarHBondContact O-N 3.01Å; N442-I445 VanDerWaalsContact O-N 3.16Å; N442-E446 WeakPolarHBondContact O-CB 3.27Å; N442-E446 VanDerWaalsContact O-CG 3.28Å; N442-E446 WeakPolarHBondContact O-CG 3.32Å; N442-E446 PolarHBondContact O-N 3.2Å |
| 443 | L | 87.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.8 | -38.5 | 175.8 | -70.8 | 171.3 | 0 | 0 | 0 | 111.6 | T389 L393 I439 N447 D448 L450 I451 W454 | T389-L443 HydrophobicContact CG2-CD2 3.75Å; T389-L443 HydrophobicContact CG2-CG 3.86Å; L393-L443 HydrophobicContact CD1-CD2 4.27Å; I439-L443 HydrophobicContact CG2-CD1 4.07Å; I439-L443 HydrophobicContact CG2-CG 4.41Å; I439-L443 PolarHBondContact O-N 2.82Å; L443-N447 PolarHBondContact O-N 3.2Å; L443-D448 HydrophobicContact CD2-CB 4.12Å; L443-D448 PolarHBondContact O-N 2.62Å; L443-D448 VanDerWaalsContact O-N 3.16Å; L443-L450 HydrophobicContact CD2-CB 4.41Å; L443-I451 HydrophobicContact CB-CB 4.03Å; L443-I451 HydrophobicContact CB-CG1 4.26Å; L443-W454 HydrophobicContact CD1-CB 3.86Å; L443-W454 HydrophobicContact CD1-CD2 4.11Å; L443-W454 HydrophobicContact CD1-CG 3.82Å |
| 444 | Y | 86.2 | Confident | 86.1 | Confident | 62 Ų | 62 | 38.9 Ų | 38.9 | 24% | 0.243 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.7 | -47.8 | 176.7 | -177.2 | -97.7 | 0 | 0 | 0 | 112.7 | T440 Q441 N442 E446 N447 I451 N486 K488 L489 L492 | T440-Y444 PolarHBondContact O-N 3.5Å; T440-Y444 VanDerWaalsContact O-N 3.1Å; Q441-Y444 PolarHBondContact O-N 2.94Å; N442-Y444 PolarHBondContact O-N 3.06Å; Y444-E446 PolarHBondContact O-N 3.23Å; Y444-N447 PolarHBondContact O-N 3.16Å; Y444-N447 PolarHBondContact O-OD1 3.39Å; Y444-I451 HydrophobicContact CD2-CD1 3.84Å; Y444-I451 HydrophobicContact CG-CD1 4.22Å; Y444-N486 WeakPolarHBondContact CD1-ND2 3.34Å; Y444-N486 WeakPolarHBondContact CE1-ND2 3.34Å; Y444-K488 HydrophobicContact CE2-CB 4.39Å; Y444-K488 WeakPolarHBondContact OH-CD 3.38Å; Y444-L489 HydrophobicContact CD2-CD2 3.85Å; Y444-L489 HydrophobicContact CG-CD2 3.75Å; Y444-L492 HydrophobicContact CD2-CD1 3.93Å; Y444-L492 HydrophobicContact CE2-CD1 4.13Å |
| 445 | I | 83 | Confident | 86.1 | Confident | 68 Ų | 68 | 34.9 Ų | 34.9 | 35% | 0.349 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.7 | -32.7 | 179.2 | -68.9 | 167.1 | 0 | 0 | 0 | 111.3 | Q441 N442 N447 | Q441-I445 HydrophobicContact CG-CD1 3.87Å; Q441-I445 VanDerWaalsContact O-CG1 3.27Å; Q441-I445 WeakPolarHBondContact O-CG1 3.5Å; Q441-I445 PolarHBondContact O-N 3.43Å; N442-I445 PolarHBondContact O-N 3.01Å; N442-I445 VanDerWaalsContact O-N 3.16Å; I445-N447 VanDerWaalsContact C-N 3.25Å; I445-N447 PolarHBondContact O-N 2.74Å |
| 446 | E | 82.1 | Confident | 85.7 | Confident | 45 Ų | 45 | 35.2 Ų | 35.2 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -7.1 | 178.5 | -68.1 | -174.4 | 149.5 | 0 | 0 | 113.6 | R340 T389 N442 Y444 D448 | R340-E446 IonicContact CZ-OE1 3.68Å; R340-E446 IonicContact NH1-OE1 3.61Å; R340-E446 PolarHBondContact NH1-OE1 2.8Å; R340-E446 IonicContact NH2-OE1 3.48Å; R340-E446 PolarHBondContact NH2-OE1 3.28Å; T389-E446 WeakPolarHBondContact CB-OE2 3.08Å; T389-E446 PolarHBondContact N-OE2 3.27Å; T389-E446 PolarHBondContact OG1-OE2 3.09Å; N442-E446 WeakPolarHBondContact O-CB 3.27Å; N442-E446 VanDerWaalsContact O-CG 3.28Å; N442-E446 WeakPolarHBondContact O-CG 3.32Å; N442-E446 PolarHBondContact O-N 3.2Å; Y444-E446 PolarHBondContact O-N 3.23Å; E446-D448 HydrophobicContact CB-CB 4.45Å; E446-D448 PolarHBondContact O-N 2.67Å |
| 447 | N | 80.5 | Confident | 85.4 | Confident | 145 Ų | 145 | 35.3 Ų | 35.3 | 78% | 0.775 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 35.7 | -171 | -69.2 | -29.8 | 0 | 0 | 0 | 112.7 | L443 Y444 I445 | L443-N447 PolarHBondContact O-N 3.2Å; Y444-N447 PolarHBondContact O-N 3.16Å; Y444-N447 PolarHBondContact O-OD1 3.39Å; I445-N447 VanDerWaalsContact C-N 3.25Å; I445-N447 PolarHBondContact O-N 2.74Å |
| 448 | D | 82.2 | Confident | 85.2 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | trans | -80.4 | 130.8 | -177 | -163.5 | -67.6 | 0 | 0 | 0 | 110.9 | T390 L443 E446 L450 I451 | T390-D448 WeakPolarHBondContact CG2-OD2 3.47Å; L443-D448 HydrophobicContact CD2-CB 4.12Å; L443-D448 PolarHBondContact O-N 2.62Å; L443-D448 VanDerWaalsContact O-N 3.16Å; E446-D448 HydrophobicContact CB-CB 4.45Å; E446-D448 PolarHBondContact O-N 2.67Å; D448-L450 PolarHBondContact O-N 3.5Å; D448-L450 VanDerWaalsContact O-N 3.11Å; D448-L450 VanDerWaalsContact OD1-CB 3.23Å; D448-L450 WeakPolarHBondContact OD1-CB 3.37Å; D448-L450 VanDerWaalsContact OD1-CG 3.29Å; D448-L450 WeakPolarHBondContact OD1-CG 3.36Å; D448-L450 PolarHBondContact OD1-N 3.11Å; D448-I451 VanDerWaalsContact O-CG2 3.25Å; D448-I451 WeakPolarHBondContact O-CG2 3.49Å; D448-I451 PolarHBondContact O-N 2.9Å | ||
| 449 | P | 82 | Confident | 84.8 | Confident | 101 Ų | 101 | 34 Ų | 34 | 66% | 0.656 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.2 | 180 | 23.6 | -33.9 | 0 | 0 | 0 | 113.9 | I451 N452 | P449-I451 PolarHBondContact O-N 3.46Å; P449-N452 PolarHBondContact O-N 3.42Å |
| 450 | L | 85.1 | Confident | 84.3 | Confident | 51 Ų | 51 | 37 Ų | 37 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.7 | -17.4 | 177.8 | -69.7 | 176.5 | 0 | 0 | 0 | 114 | T390 L393 L443 D448 N452 V453 W454 | T390-L450 HydrophobicContact CG2-CD1 3.75Å; L393-L450 HydrophobicContact CD1-CD1 4.3Å; L443-L450 HydrophobicContact CD2-CB 4.41Å; D448-L450 PolarHBondContact O-N 3.5Å; D448-L450 VanDerWaalsContact O-N 3.11Å; D448-L450 VanDerWaalsContact OD1-CB 3.23Å; D448-L450 WeakPolarHBondContact OD1-CB 3.37Å; D448-L450 VanDerWaalsContact OD1-CG 3.29Å; D448-L450 WeakPolarHBondContact OD1-CG 3.36Å; D448-L450 PolarHBondContact OD1-N 3.11Å; L450-N452 PolarHBondContact O-N 3.19Å; L450-N452 VanDerWaalsContact O-N 3.17Å; L450-V453 PolarHBondContact O-N 3.33Å; L450-V453 VanDerWaalsContact O-N 3.07Å; L450-W454 WeakPolarHBondContact O-CB 3.33Å; L450-W454 PolarHBondContact O-N 3.09Å |
| 451 | I | 86.2 | Confident | 83.7 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.6 | -36.3 | 175.1 | -168.7 | 169.6 | 0 | 0 | 0 | 112.2 | L443 Y444 D448 P449 W454 L455 L489 L492 | L443-I451 HydrophobicContact CB-CB 4.03Å; L443-I451 HydrophobicContact CB-CG1 4.26Å; Y444-I451 HydrophobicContact CD2-CD1 3.84Å; Y444-I451 HydrophobicContact CG-CD1 4.22Å; D448-I451 VanDerWaalsContact O-CG2 3.25Å; D448-I451 WeakPolarHBondContact O-CG2 3.49Å; D448-I451 PolarHBondContact O-N 2.9Å; P449-I451 PolarHBondContact O-N 3.46Å; I451-W454 PolarHBondContact O-N 2.99Å; I451-L455 HydrophobicContact CG1-CD1 4.24Å; I451-L455 HydrophobicContact CG1-CG 4.41Å; I451-L455 WeakPolarHBondContact O-CG 3.32Å; I451-L455 PolarHBondContact O-N 3.28Å; I451-L489 HydrophobicContact CD1-CD2 4.08Å; I451-L492 HydrophobicContact CD1-CD1 3.75Å; I451-L492 HydrophobicContact CG1-CD1 4.45Å |
| 452 | N | 82.3 | Confident | 83.3 | Confident | 86 Ų | 86 | 36 Ų | 36 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.4 | -39.4 | -179.4 | -66.3 | -40.1 | 0 | 0 | 0 | 111.5 | P449 L450 S456 | P449-N452 PolarHBondContact O-N 3.42Å; L450-N452 PolarHBondContact O-N 3.19Å; L450-N452 VanDerWaalsContact O-N 3.17Å; N452-S456 WeakPolarHBondContact O-CB 3.26Å; N452-S456 PolarHBondContact O-N 3.05Å; N452-S456 PolarHBondContact O-OG 3.4Å |
| 453 | V | 83.5 | Confident | 82.7 | Confident | 41 Ų | 41 | 37 Ų | 37 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69 | -41.7 | 176 | -172.3 | 0 | 0 | 0 | 0 | 110.3 | E410 C412 L450 S456 G457 | E410-V453 HydrophobicContact CB-CG1 4.46Å; E410-V453 WeakPolarHBondContact OE2-CG1 3.5Å; C412-V453 HydrophobicContact CB-CB 4.01Å; C412-V453 HydrophobicContact CB-CG1 3.66Å; L450-V453 PolarHBondContact O-N 3.33Å; L450-V453 VanDerWaalsContact O-N 3.07Å; V453-S456 PolarHBondContact O-N 3.45Å; V453-G457 PolarHBondContact O-N 3.04Å |
| 454 | W | 87.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -50.6 | 177.6 | -176.4 | -93.8 | 0 | 0 | 0 | 112.5 | L393 C412 V415 V416 L419 Y436 I439 T440 L443 L450 I451 S456 G457 | L393-W454 HydrophobicContact CD2-CE3 3.86Å; L393-W454 HydrophobicContact CD2-CH2 4.09Å; L393-W454 HydrophobicContact CD2-CZ3 3.31Å; C412-W454 HydrophobicContact CB-CE3 4.37Å; V415-W454 HydrophobicContact CB-CZ3 4.05Å; V415-W454 HydrophobicContact CG1-CH2 3.79Å; V415-W454 HydrophobicContact CG1-CZ3 3.63Å; V416-W454 HydrophobicContact CG2-CD2 3.54Å; V416-W454 HydrophobicContact CG2-CE3 3.46Å; V416-W454 VanDerWaalsContact CG2-CE3 3.46Å; V416-W454 HydrophobicContact CG2-CG 4.15Å; V416-W454 HydrophobicContact CG2-CH2 3.97Å; V416-W454 HydrophobicContact CG2-CZ2 4.05Å; V416-W454 HydrophobicContact CG2-CZ3 3.66Å; L419-W454 HydrophobicContact CD1-CH2 3.71Å; L419-W454 HydrophobicContact CD1-CZ2 4.04Å; Y436-W454 AromaticContact CD2-CE2 3.88Å; Y436-W454 AromaticContact CD2-CZ2 3.65Å; Y436-W454 HydrophobicContact CD2-CZ2 3.65Å; Y436-W454 AromaticContact CD2-NE1 3.72Å; Y436-W454 AromaticContact CE2-CD1 3.99Å; Y436-W454 AromaticContact CE2-CE2 3.61Å; Y436-W454 AromaticContact CE2-CZ2 3.86Å; Y436-W454 HydrophobicContact CE2-CZ2 3.86Å; Y436-W454 AromaticContact CE2-NE1 3.22Å; Y436-W454 HydrophobicContact CG-CZ2 4.46Å; Y436-W454 AromaticContact CZ-CD1 3.86Å; Y436-W454 AromaticContact CZ-NE1 3.37Å; I439-W454 HydrophobicContact CB-CH2 4.31Å; I439-W454 HydrophobicContact CB-CZ2 3.86Å; I439-W454 HydrophobicContact CD1-CH2 3.85Å; I439-W454 HydrophobicContact CD1-CZ2 4.12Å; I439-W454 HydrophobicContact CG2-CD2 4.22Å; I439-W454 HydrophobicContact CG2-CE3 4.37Å; I439-W454 HydrophobicContact CG2-CH2 3.76Å; I439-W454 HydrophobicContact CG2-CZ2 3.56Å; I439-W454 HydrophobicContact CG2-CZ3 4.17Å; T440-W454 PolarHBondContact OG1-NE1 3.46Å; L443-W454 HydrophobicContact CD1-CB 3.86Å; L443-W454 HydrophobicContact CD1-CD2 4.11Å; L443-W454 HydrophobicContact CD1-CG 3.82Å; L450-W454 WeakPolarHBondContact O-CB 3.33Å; L450-W454 PolarHBondContact O-N 3.09Å; I451-W454 PolarHBondContact O-N 2.99Å; W454-S456 PolarHBondContact O-N 3.49Å; W454-G457 PolarHBondContact O-N 3.05Å |
| 455 | L | 86.4 | Confident | 81.5 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.7 | -36.3 | 177.1 | -66.6 | 179.5 | 0 | 0 | 0 | 112.3 | T440 I451 G457 L458 V459 L492 L493 | T440-L455 HydrophobicContact CG2-CD2 3.71Å; I451-L455 HydrophobicContact CG1-CD1 4.24Å; I451-L455 HydrophobicContact CG1-CG 4.41Å; I451-L455 WeakPolarHBondContact O-CG 3.32Å; I451-L455 PolarHBondContact O-N 3.28Å; L455-G457 VanDerWaalsContact C-N 3.31Å; L455-G457 PolarHBondContact O-N 3.38Å; L455-L458 PolarHBondContact O-N 3.42Å; L455-V459 PolarHBondContact O-N 3.26Å; L455-L492 HydrophobicContact CD1-CB 3.51Å; L455-L492 HydrophobicContact CD1-CD1 4.38Å; L455-L493 HydrophobicContact CB-CD2 4.44Å; L455-L493 HydrophobicContact CB-CG 4.16Å; L455-L493 HydrophobicContact CD1-CG 4.31Å; L455-L493 HydrophobicContact CD2-CD1 3.91Å; L455-L493 HydrophobicContact CD2-CG 3.92Å; L455-L493 HydrophobicContact CG-CG 4.34Å |
| 456 | S | 80.6 | Confident | 80.7 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 175 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | N452 V453 W454 L458 V459 D460 R496 | N452-S456 WeakPolarHBondContact O-CB 3.26Å; N452-S456 PolarHBondContact O-N 3.05Å; N452-S456 PolarHBondContact O-OG 3.4Å; V453-S456 PolarHBondContact O-N 3.45Å; W454-S456 PolarHBondContact O-N 3.49Å; S456-L458 PolarHBondContact O-N 2.99Å; S456-V459 PolarHBondContact O-N 3.26Å; S456-V459 VanDerWaalsContact O-N 3.14Å; S456-D460 VanDerWaalsContact O-CG 3.31Å; S456-D460 PolarHBondContact O-N 2.71Å; S456-R496 WeakPolarHBondContact OG-CG 3.38Å; S456-R496 PolarHBondContact OG-NE 3.45Å |
| 457 | G | 83.5 | Confident | 80.2 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.9 | -39.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | V416 V453 W454 L455 T461 | V416-G457 VanDerWaalsContact CG1-C 3.47Å; V453-G457 PolarHBondContact O-N 3.04Å; W454-G457 PolarHBondContact O-N 3.05Å; L455-G457 VanDerWaalsContact C-N 3.31Å; L455-G457 PolarHBondContact O-N 3.38Å; G457-T461 PolarHBondContact O-N 2.91Å; G457-T461 PolarHBondContact O-OG1 3.43Å |
| 458 | L | 85.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 178.5 | 176.3 | 68.4 | 0 | 0 | 0 | 111.3 | V416 M420 Y436 L455 S456 T461 F462 V474 I478 L493 | V416-L458 HydrophobicContact CG1-CB 4.19Å; M420-L458 HydrophobicContact CE-CD1 4.15Å; M420-L458 HydrophobicContact CG-CD1 3.99Å; M420-L458 HydrophobicContact SD-CD1 3.35Å; M420-L458 WeakPolarHBondContact SD-CD1 3.35Å; Y436-L458 HydrophobicContact CE1-CD2 4.03Å; Y436-L458 HydrophobicContact CE2-CB 4.41Å; Y436-L458 WeakPolarHBondContact OH-CB 3.4Å; L455-L458 PolarHBondContact O-N 3.42Å; S456-L458 PolarHBondContact O-N 2.99Å; L458-T461 WeakPolarHBondContact CA-OG1 3.42Å; L458-T461 PolarHBondContact O-N 3.04Å; L458-T461 PolarHBondContact O-OG1 2.94Å; L458-F462 WeakPolarHBondContact O-CB 3.22Å; L458-F462 PolarHBondContact O-N 3.43Å; L458-V474 HydrophobicContact CD1-CG1 4.39Å; L458-I478 HydrophobicContact CD2-CG2 4.48Å; L458-L493 HydrophobicContact CD2-CD1 4.31Å; L458-L493 HydrophobicContact CD2-CD2 4.42Å |
| 459 | V | 80.1 | Confident | 78.8 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 178.5 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | L455 S456 T461 F462 I463 L493 C497 F511 | L455-V459 PolarHBondContact O-N 3.26Å; S456-V459 PolarHBondContact O-N 3.26Å; S456-V459 VanDerWaalsContact O-N 3.14Å; V459-T461 VanDerWaalsContact C-N 3.33Å; V459-T461 PolarHBondContact O-N 2.97Å; V459-F462 WeakPolarHBondContact O-CB 3.49Å; V459-F462 PolarHBondContact O-N 3.34Å; V459-F462 VanDerWaalsContact O-N 3.1Å; V459-I463 HydrophobicContact CG1-CD1 3.67Å; V459-I463 HydrophobicContact CG1-CG1 4.44Å; V459-I463 WeakPolarHBondContact O-CG1 3.24Å; V459-I463 PolarHBondContact O-N 3.33Å; V459-L493 HydrophobicContact CG2-CD2 3.41Å; V459-L493 VanDerWaalsContact CG2-CD2 3.41Å; V459-C497 VanDerWaalsContact CG2-SG 3.52Å; V459-F511 HydrophobicContact CG2-CE1 4.22Å |
| 460 | D | 78.8 | Confident | 78.7 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 35% | 0.348 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 180 | -68.3 | -17.4 | 0 | 0 | 0 | 111.9 | S456 R464 | S456-D460 VanDerWaalsContact O-CG 3.31Å; S456-D460 PolarHBondContact O-N 2.71Å; D460-R464 WeakPolarHBondContact O-CB 3.3Å; D460-R464 VanDerWaalsContact O-CG 3.28Å; D460-R464 WeakPolarHBondContact O-CG 3.39Å; D460-R464 PolarHBondContact O-N 3.12Å; D460-R464 PolarHBondContact O-NE 3.32Å |
| 461 | T | 79 | Confident | 78.3 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -35 | 172.1 | 37.5 | 0 | 0 | 0 | 0 | 113.7 | M420 G457 L458 V459 N465 | M420-T461 HydrophobicContact CB-CG2 4.01Å; M420-T461 HydrophobicContact CG-CG2 4.31Å; M420-T461 WeakPolarHBondContact CG-OG1 3.44Å; G457-T461 PolarHBondContact O-N 2.91Å; G457-T461 PolarHBondContact O-OG1 3.43Å; L458-T461 WeakPolarHBondContact CA-OG1 3.42Å; L458-T461 PolarHBondContact O-N 3.04Å; L458-T461 PolarHBondContact O-OG1 2.94Å; V459-T461 VanDerWaalsContact C-N 3.33Å; V459-T461 PolarHBondContact O-N 2.97Å; T461-N465 VanDerWaalsContact O-CB 3.22Å; T461-N465 WeakPolarHBondContact O-CB 3.36Å; T461-N465 PolarHBondContact O-N 3.14Å; T461-N465 VanDerWaalsContact O-N 3.16Å |
| 462 | F | 78.3 | Confident | 77.5 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 174.2 | -167.6 | -83 | 0 | 0 | 0 | 110.4 | L458 V459 N465 F470 H471 V474 I475 D507 F511 | L458-F462 WeakPolarHBondContact O-CB 3.22Å; L458-F462 PolarHBondContact O-N 3.43Å; V459-F462 WeakPolarHBondContact O-CB 3.49Å; V459-F462 PolarHBondContact O-N 3.34Å; V459-F462 VanDerWaalsContact O-N 3.1Å; F462-N465 PolarHBondContact O-N 3.18Å; F462-F470 HydrophobicContact CD2-CE1 4.47Å; F462-H471 AromaticContact CD1-CE1 3.92Å; F462-H471 AromaticContact CD1-ND1 3.77Å; F462-H471 AromaticContact CD2-ND1 3.58Å; F462-H471 AromaticContact CE1-CE1 3.68Å; F462-H471 AromaticContact CE1-ND1 3.35Å; F462-H471 VanDerWaalsContact CE1-ND1 3.35Å; F462-H471 WeakPolarHBondContact CE1-ND1 3.24Å; F462-H471 HydrophobicContact CE2-CB 4.01Å; F462-H471 AromaticContact CE2-ND1 3.18Å; F462-H471 WeakPolarHBondContact CE2-ND1 2.98Å; F462-H471 AromaticContact CG-ND1 3.86Å; F462-H471 HydrophobicContact CZ-CB 4.01Å; F462-H471 AromaticContact CZ-CE1 3.85Å; F462-H471 AromaticContact CZ-CG 3.84Å; F462-H471 AromaticContact CZ-ND1 3.04Å; F462-H471 WeakPolarHBondContact CZ-ND1 3.46Å; F462-H471 PolarHBondContact O-CE1 3.38Å; F462-V474 HydrophobicContact CD2-CB 4.1Å; F462-V474 HydrophobicContact CD2-CG1 3.98Å; F462-V474 HydrophobicContact CD2-CG2 4.25Å; F462-V474 HydrophobicContact CE2-CB 4.16Å; F462-V474 HydrophobicContact CE2-CG1 4.26Å; F462-I475 HydrophobicContact CE2-CG1 4.48Å; F462-I475 HydrophobicContact CZ-CD1 4.34Å; F462-D507 HydrophobicContact CE1-CB 4.15Å; F462-D507 WeakPolarHBondContact CE1-O 3.4Å; F462-F511 HydrophobicContact CD1-CB 4.01Å; F462-F511 HydrophobicContact CD1-CD2 4.17Å; F462-F511 HydrophobicContact CD1-CG 4.14Å; F462-F511 AromaticContact CD2-CD2 3.67Å; F462-F511 HydrophobicContact CD2-CD2 3.67Å; F462-F511 HydrophobicContact CD2-CE2 4.09Å; F462-F511 HydrophobicContact CD2-CG 4.44Å; F462-F511 HydrophobicContact CE1-CB 3.5Å; F462-F511 HydrophobicContact CE1-CD2 4.15Å; F462-F511 HydrophobicContact CE1-CG 4.06Å; F462-F511 HydrophobicContact CE2-CB 4.3Å; F462-F511 AromaticContact CE2-CD2 3.61Å; F462-F511 HydrophobicContact CE2-CD2 3.61Å; F462-F511 HydrophobicContact CE2-CE2 4.39Å; F462-F511 HydrophobicContact CE2-CG 4.33Å; F462-F511 AromaticContact CG-CD2 3.94Å; F462-F511 HydrophobicContact CG-CD2 3.94Å; F462-F511 HydrophobicContact CG-CE2 4.38Å; F462-F511 HydrophobicContact CG-CG 4.33Å; F462-F511 HydrophobicContact CZ-CB 3.66Å; F462-F511 AromaticContact CZ-CD2 3.87Å; F462-F511 HydrophobicContact CZ-CD2 3.87Å; F462-F511 HydrophobicContact CZ-CG 4.15Å |
| 463 | I | 75 | Confident | 77.1 | Confident | 41 Ų | 41 | 39 Ų | 39 | 21% | 0.21 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.8 | -42.6 | -179.3 | -63.3 | 160.4 | 0 | 0 | 0 | 111.7 | V459 N465 V502 L508 | V459-I463 HydrophobicContact CG1-CD1 3.67Å; V459-I463 HydrophobicContact CG1-CG1 4.44Å; V459-I463 WeakPolarHBondContact O-CG1 3.24Å; V459-I463 PolarHBondContact O-N 3.33Å; I463-N465 VanDerWaalsContact C-N 3.3Å; I463-N465 PolarHBondContact O-N 3Å; I463-V502 HydrophobicContact CD1-CG1 3.53Å; I463-L508 HydrophobicContact CD1-CD1 4.09Å; I463-L508 HydrophobicContact CG1-CD1 3.97Å |
| 464 | R | 74.7 | Confident | 77 | Confident | 140 Ų | 140 | 37 Ų | 37 | 53% | 0.528 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -73.3 | -18.4 | -177.3 | -73.2 | -173 | -62 | -111.3 | -4 | 114.1 | D460 | D460-R464 WeakPolarHBondContact O-CB 3.3Å; D460-R464 VanDerWaalsContact O-CG 3.28Å; D460-R464 WeakPolarHBondContact O-CG 3.39Å; D460-R464 PolarHBondContact O-N 3.12Å; D460-R464 PolarHBondContact O-NE 3.32Å |
| 465 | N | 74.3 | Confident | 76.5 | Confident | 43 Ų | 43 | 38.9 Ų | 38.9 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | trans | -96.8 | 124 | -176.7 | -163.8 | -12 | 0 | 0 | 0 | 110.2 | T461 F462 I463 N467 F470 H471 | T461-N465 VanDerWaalsContact O-CB 3.22Å; T461-N465 WeakPolarHBondContact O-CB 3.36Å; T461-N465 PolarHBondContact O-N 3.14Å; T461-N465 VanDerWaalsContact O-N 3.16Å; F462-N465 PolarHBondContact O-N 3.18Å; I463-N465 VanDerWaalsContact C-N 3.3Å; I463-N465 PolarHBondContact O-N 3Å; N465-N467 VanDerWaalsContact C-N 3.33Å; N465-N467 VanDerWaalsContact OD1-CB 3.26Å; N465-N467 WeakPolarHBondContact OD1-CB 3.49Å; N465-N467 PolarHBondContact OD1-N 3.46Å; N465-F470 HydrophobicContact CB-CD1 3.74Å; N465-F470 HydrophobicContact CB-CE1 4.04Å; N465-F470 VanDerWaalsContact ND2-CD1 3.32Å; N465-F470 WeakPolarHBondContact ND2-CD1 3.1Å; N465-F470 VanDerWaalsContact ND2-CG 3.25Å; N465-F470 WeakPolarHBondContact ND2-CG 3.23Å; N465-H471 PolarHBondContact O-CE1 3.13Å; N465-H471 PolarHBondContact O-NE2 3.25Å | ||
| 466 | S | 67.2 | Low | 76.1 | Confident | 110 Ų | 110 | 45.3 Ų | 45.3 | 77% | 0.769 | 24% | 0.238 | S | C | * | . | trans | -89.6 | 4 | 177.2 | 61.2 | 0 | 0 | 0 | 0 | 113.3 | E468 | S466-E468 PolarHBondContact O-N 2.88Š| ||
| 467 | N | 70.3 | Confident | 76.1 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | trans | -82.8 | 114.2 | -174.7 | -167.9 | -2.7 | 0 | 0 | 0 | 112.5 | D424 N465 T469 F470 H471 | D424-N467 VanDerWaalsContact CG-ND2 3.34Å; D424-N467 PolarHBondContact OD1-ND2 2.92Å; D424-N467 PolarHBondContact OD2-ND2 3.15Å; N465-N467 VanDerWaalsContact C-N 3.33Å; N465-N467 VanDerWaalsContact OD1-CB 3.26Å; N465-N467 WeakPolarHBondContact OD1-CB 3.49Å; N465-N467 PolarHBondContact OD1-N 3.46Å; N467-T469 PolarHBondContact ND2-OG1 3.42Å; N467-T469 PolarHBondContact O-N 3.08Å; N467-T469 PolarHBondContact OD1-N 3.09Å; N467-T469 VanDerWaalsContact OD1-N 3.17Å; N467-T469 PolarHBondContact OD1-OG1 3.07Å; N467-F470 HydrophobicContact CB-CB 4.07Å; N467-F470 WeakPolarHBondContact O-CB 3.3Å; N467-F470 PolarHBondContact O-N 3.3Å; N467-F470 VanDerWaalsContact O-N 3.14Å; N467-H471 PolarHBondContact O-CD2 3.01Å; N467-H471 PolarHBondContact O-N 3.02Å; N467-H471 VanDerWaalsContact O-N 3.1Å | ||
| 468 | E | 67 | Low | 76.3 | Confident | 162 Ų | 162 | 47.5 Ų | 47.5 | 76% | 0.757 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -57.6 | -33.2 | 176.8 | -68 | -172.7 | 176.9 | 0 | 0 | 113.2 | S466 H471 S472 | S466-E468 PolarHBondContact O-N 2.88Å; E468-H471 PolarHBondContact O-N 2.87Å; E468-S472 WeakPolarHBondContact O-CB 3.38Å; E468-S472 PolarHBondContact O-N 3.25Å; E468-S472 PolarHBondContact O-OG 3.03Å |
| 469 | T | 67.7 | Low | 76.2 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.9 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | D424 N467 S472 T473 | D424-T469 PolarHBondContact OD1-OG1 3.16Å; N467-T469 PolarHBondContact ND2-OG1 3.42Å; N467-T469 PolarHBondContact O-N 3.08Å; N467-T469 PolarHBondContact OD1-N 3.09Å; N467-T469 VanDerWaalsContact OD1-N 3.17Å; N467-T469 PolarHBondContact OD1-OG1 3.07Å; T469-S472 PolarHBondContact O-N 3.07Å; T469-S472 PolarHBondContact O-OG 3.2Å; T469-T473 WeakPolarHBondContact O-CB 3.45Å; T469-T473 PolarHBondContact O-N 3.33Å; T469-T473 PolarHBondContact O-OG1 3.38Å |
| 470 | F | 78.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -51.2 | 174.1 | 176.8 | -108.6 | 0 | 0 | 0 | 110.9 | M420 A423 D424 F462 N465 N467 S472 T473 V474 | M420-F470 HydrophobicContact CB-CE2 3.69Å; M420-F470 HydrophobicContact CB-CZ 3.7Å; M420-F470 HydrophobicContact CG-CE2 4.22Å; M420-F470 HydrophobicContact CG-CZ 3.96Å; M420-F470 VanDerWaalsContact O-CE2 3.28Å; M420-F470 WeakPolarHBondContact O-CE2 3.16Å; M420-F470 HydrophobicContact SD-CE2 3.98Å; M420-F470 HydrophobicContact SD-CZ 3.96Å; A423-F470 HydrophobicContact CB-CE2 4.31Å; D424-F470 HydrophobicContact CB-CD2 4.25Å; D424-F470 WeakPolarHBondContact OD1-CB 3.43Å; D424-F470 PolarHBondContact OD1-N 3.34Å; F462-F470 HydrophobicContact CD2-CE1 4.47Å; N465-F470 HydrophobicContact CB-CD1 3.74Å; N465-F470 HydrophobicContact CB-CE1 4.04Å; N465-F470 VanDerWaalsContact ND2-CD1 3.32Å; N465-F470 WeakPolarHBondContact ND2-CD1 3.1Å; N465-F470 VanDerWaalsContact ND2-CG 3.25Å; N465-F470 WeakPolarHBondContact ND2-CG 3.23Å; N467-F470 HydrophobicContact CB-CB 4.07Å; N467-F470 WeakPolarHBondContact O-CB 3.3Å; N467-F470 PolarHBondContact O-N 3.3Å; N467-F470 VanDerWaalsContact O-N 3.14Å; F470-S472 VanDerWaalsContact C-N 3.31Å; F470-S472 PolarHBondContact O-N 3.41Å; F470-T473 WeakPolarHBondContact O-CA 3.27Å; F470-T473 WeakPolarHBondContact O-CB 3.43Å; F470-T473 PolarHBondContact O-N 3.33Å; F470-V474 HydrophobicContact CD1-CG2 4.38Å; F470-V474 HydrophobicContact CD2-CG2 4.33Å; F470-V474 HydrophobicContact CE1-CG2 3.94Å; F470-V474 HydrophobicContact CE2-CG2 3.84Å; F470-V474 HydrophobicContact CZ-CG2 3.63Å; F470-V474 WeakPolarHBondContact O-CG2 3.48Å; F470-V474 PolarHBondContact O-N 3.42Å |
| 471 | H | 76.8 | Confident | 76.5 | Confident | 13 Ų | 13 | 48.1 Ų | 48.1 | 6% | 0.06 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.7 | -47.1 | 178.9 | -67.9 | -55.8 | 0 | 0 | 0 | 112 | F462 N465 N467 E468 T473 V474 I475 D507 | F462-H471 AromaticContact CD1-CE1 3.92Å; F462-H471 AromaticContact CD1-ND1 3.77Å; F462-H471 AromaticContact CD2-ND1 3.58Å; F462-H471 AromaticContact CE1-CE1 3.68Å; F462-H471 AromaticContact CE1-ND1 3.35Å; F462-H471 VanDerWaalsContact CE1-ND1 3.35Å; F462-H471 WeakPolarHBondContact CE1-ND1 3.24Å; F462-H471 HydrophobicContact CE2-CB 4.01Å; F462-H471 AromaticContact CE2-ND1 3.18Å; F462-H471 WeakPolarHBondContact CE2-ND1 2.98Å; F462-H471 AromaticContact CG-ND1 3.86Å; F462-H471 HydrophobicContact CZ-CB 4.01Å; F462-H471 AromaticContact CZ-CE1 3.85Å; F462-H471 AromaticContact CZ-CG 3.84Å; F462-H471 AromaticContact CZ-ND1 3.04Å; F462-H471 WeakPolarHBondContact CZ-ND1 3.46Å; F462-H471 PolarHBondContact O-CE1 3.38Å; N465-H471 PolarHBondContact O-CE1 3.13Å; N465-H471 PolarHBondContact O-NE2 3.25Å; N467-H471 PolarHBondContact O-CD2 3.01Å; N467-H471 PolarHBondContact O-N 3.02Å; N467-H471 VanDerWaalsContact O-N 3.1Å; E468-H471 PolarHBondContact O-N 2.87Å; H471-T473 VanDerWaalsContact C-N 3.28Å; H471-T473 PolarHBondContact O-N 3.45Å; H471-V474 PolarHBondContact O-N 2.9Å; H471-I475 WeakPolarHBondContact O-CB 3.15Å; H471-I475 VanDerWaalsContact O-CG1 3.31Å; H471-I475 WeakPolarHBondContact O-CG1 3.45Å; H471-I475 PolarHBondContact O-N 3.41Å; H471-D507 IonicContact CD2-OD2 3.81Å; H471-D507 IonicContact CE1-OD2 3.31Å; H471-D507 IonicContact NE2-OD2 3.97Å; H471-D507 PolarHBondContact NE2-OD2 2.72Å |
| 472 | S | 70.5 | Confident | 76.8 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -37.7 | 177.2 | 79.3 | 0 | 0 | 0 | 0 | 112 | E468 T469 F470 I475 Q476 | E468-S472 WeakPolarHBondContact O-CB 3.38Å; E468-S472 PolarHBondContact O-N 3.25Å; E468-S472 PolarHBondContact O-OG 3.03Å; T469-S472 PolarHBondContact O-N 3.07Å; T469-S472 PolarHBondContact O-OG 3.2Å; F470-S472 VanDerWaalsContact C-N 3.31Å; F470-S472 PolarHBondContact O-N 3.41Å; S472-I475 PolarHBondContact O-N 2.96Å; S472-Q476 WeakPolarHBondContact O-CB 3.45Å; S472-Q476 WeakPolarHBondContact O-CG 3.32Å; S472-Q476 PolarHBondContact O-N 3.45Å |
| 473 | T | 73.3 | Confident | 77 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68 | -44.1 | -179.6 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | A423 A429 T469 F470 H471 Q476 N477 | A423-T473 WeakPolarHBondContact O-CG2 3.45Å; A429-T473 HydrophobicContact CB-CG2 3.28Å; T469-T473 WeakPolarHBondContact O-CB 3.45Å; T469-T473 PolarHBondContact O-N 3.33Å; T469-T473 PolarHBondContact O-OG1 3.38Å; F470-T473 WeakPolarHBondContact O-CA 3.27Å; F470-T473 WeakPolarHBondContact O-CB 3.43Å; F470-T473 PolarHBondContact O-N 3.33Å; H471-T473 VanDerWaalsContact C-N 3.28Å; H471-T473 PolarHBondContact O-N 3.45Å; T473-Q476 PolarHBondContact O-N 2.95Å; T473-N477 VanDerWaalsContact O-CB 3.32Å; T473-N477 WeakPolarHBondContact O-CB 3.39Å; T473-N477 PolarHBondContact O-N 3Å |
| 474 | V | 81.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -61.4 | -46.9 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | L458 F462 F470 H471 I478 L479 F511 | L458-V474 HydrophobicContact CD1-CG1 4.39Å; F462-V474 HydrophobicContact CD2-CB 4.1Å; F462-V474 HydrophobicContact CD2-CG1 3.98Å; F462-V474 HydrophobicContact CD2-CG2 4.25Å; F462-V474 HydrophobicContact CE2-CB 4.16Å; F462-V474 HydrophobicContact CE2-CG1 4.26Å; F470-V474 HydrophobicContact CD1-CG2 4.38Å; F470-V474 HydrophobicContact CD2-CG2 4.33Å; F470-V474 HydrophobicContact CE1-CG2 3.94Å; F470-V474 HydrophobicContact CE2-CG2 3.84Å; F470-V474 HydrophobicContact CZ-CG2 3.63Å; F470-V474 WeakPolarHBondContact O-CG2 3.48Å; F470-V474 PolarHBondContact O-N 3.42Å; H471-V474 PolarHBondContact O-N 2.9Å; V474-I478 HydrophobicContact CG1-CB 4.5Å; V474-I478 HydrophobicContact CG2-CD1 4.23Å; V474-I478 PolarHBondContact O-N 3.28Å; V474-I478 VanDerWaalsContact O-N 3.16Å; V474-L479 HydrophobicContact CG1-CG 4.47Å; V474-L479 PolarHBondContact O-N 3.44Å; V474-F511 HydrophobicContact CG1-CD2 4.38Å; V474-F511 HydrophobicContact CG1-CE2 3.86Å |
| 475 | I | 78.2 | Confident | 77.7 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 20% | 0.2 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -66.1 | -39.6 | -178.9 | -72.3 | 169.6 | 0 | 0 | 0 | 112.3 | F462 H471 S472 L479 P480 T510 T514 | F462-I475 HydrophobicContact CE2-CG1 4.48Å; F462-I475 HydrophobicContact CZ-CD1 4.34Å; H471-I475 WeakPolarHBondContact O-CB 3.15Å; H471-I475 VanDerWaalsContact O-CG1 3.31Å; H471-I475 WeakPolarHBondContact O-CG1 3.45Å; H471-I475 PolarHBondContact O-N 3.41Å; S472-I475 PolarHBondContact O-N 2.96Å; I475-L479 HydrophobicContact CG1-CD1 4.41Å; I475-P480 WeakPolarHBondContact O-CD 3.16Å; I475-T510 HydrophobicContact CD1-CG2 4.16Å; I475-T514 HydrophobicContact CG2-CG2 4.17Å |
| 476 | Q | 78.1 | Confident | 78.1 | Confident | 137 Ų | 137 | 50.4 Ų | 50.4 | 64% | 0.64 | 27% | 0.273 | S | S | * | . | I | π-helix | trans | -91.5 | -28.9 | -173.1 | -67.1 | 178.6 | 14.2 | 0 | 0 | 114.1 | S472 T473 | S472-Q476 WeakPolarHBondContact O-CB 3.45Å; S472-Q476 WeakPolarHBondContact O-CG 3.32Å; S472-Q476 PolarHBondContact O-N 3.45Å; T473-Q476 PolarHBondContact O-N 2.95Å |
| 477 | N | 79.9 | Confident | 78.6 | Confident | 61 Ų | 61 | 47 Ų | 47 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -111.1 | -47.2 | -175.5 | -63.5 | -54.5 | 0 | 0 | 0 | 113 | S433 T473 S481 | S433-N477 VanDerWaalsContact OG-C 3.31Å; S433-N477 PolarHBondContact OG-O 2.94Å; T473-N477 VanDerWaalsContact O-CB 3.32Å; T473-N477 WeakPolarHBondContact O-CB 3.39Å; T473-N477 PolarHBondContact O-N 3Å; N477-S481 WeakPolarHBondContact O-CB 3.38Å |
| 478 | I | 86.9 | Confident | 79.1 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -81 | -54.8 | -170.4 | -56.6 | -176.9 | 0 | 0 | 0 | 111.5 | M420 Y436 L458 V474 S481 L482 | M420-I478 HydrophobicContact CE-CD1 3.82Å; M420-I478 HydrophobicContact SD-CD1 3.8Å; Y436-I478 HydrophobicContact CD1-CG2 3.82Å; Y436-I478 HydrophobicContact CE1-CG2 4.17Å; L458-I478 HydrophobicContact CD2-CG2 4.48Å; V474-I478 HydrophobicContact CG1-CB 4.5Å; V474-I478 HydrophobicContact CG2-CD1 4.23Å; V474-I478 PolarHBondContact O-N 3.28Å; V474-I478 VanDerWaalsContact O-N 3.16Å; I478-S481 WeakPolarHBondContact O-CB 3.14Å; I478-S481 PolarHBondContact O-N 3.3Å; I478-S481 VanDerWaalsContact O-N 3.13Å; I478-L482 HydrophobicContact CG2-CD1 4.02Å; I478-L482 HydrophobicContact CG2-CG 4.35Å; I478-L482 WeakPolarHBondContact O-CG 3.42Å; I478-L482 PolarHBondContact O-N 3.45Å |
| 479 | L | 84.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | -178 | -64.1 | -179.4 | 0 | 0 | 0 | 113 | V474 I475 S481 L482 V483 L490 F511 T514 L518 | V474-L479 HydrophobicContact CG1-CG 4.47Å; V474-L479 PolarHBondContact O-N 3.44Å; I475-L479 HydrophobicContact CG1-CD1 4.41Å; L479-S481 VanDerWaalsContact C-N 3.31Å; L479-S481 PolarHBondContact O-N 2.91Å; L479-L482 HydrophobicContact CD2-CD1 4.47Å; L479-L482 PolarHBondContact O-N 3.36Å; L479-V483 VanDerWaalsContact O-CG2 3.29Å; L479-V483 WeakPolarHBondContact O-CG2 3.36Å; L479-V483 PolarHBondContact O-N 3.01Å; L479-V483 VanDerWaalsContact O-N 3.14Å; L479-L490 HydrophobicContact CD2-CD1 3.85Å; L479-F511 HydrophobicContact CD1-CD2 4.14Å; L479-F511 HydrophobicContact CD1-CE2 4.01Å; L479-F511 HydrophobicContact CD2-CE2 3.89Å; L479-F511 HydrophobicContact CD2-CZ 4.08Å; L479-F511 HydrophobicContact CG-CE2 4.28Å; L479-T514 HydrophobicContact CD1-CG2 3.96Å; L479-L518 HydrophobicContact CB-CD1 3.84Å |
| 480 | P | 80.3 | Confident | 80.3 | Confident | 52 Ų | 52 | 38.7 Ų | 38.7 | 34% | 0.338 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.1 | -34 | 178.1 | -23.6 | 37.5 | 0 | 0 | 0 | 112.8 | I475 K484 | I475-P480 WeakPolarHBondContact O-CD 3.16Å; P480-K484 VanDerWaalsContact O-CB 3.25Å; P480-K484 WeakPolarHBondContact O-CB 3.45Å; P480-K484 PolarHBondContact O-N 2.64Å |
| 481 | S | 83.6 | Confident | 80.2 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.1 | -44.2 | 177.6 | -170.4 | 0 | 0 | 0 | 0 | 112 | S433 T437 N477 I478 L479 V483 K484 T485 | S433-S481 WeakPolarHBondContact OG-CB 3.03Å; T437-S481 WeakPolarHBondContact OG1-CB 3.3Å; T437-S481 PolarHBondContact OG1-OG 3.11Å; T437-S481 VanDerWaalsContact OG1-OG 3.12Å; N477-S481 WeakPolarHBondContact O-CB 3.38Å; I478-S481 WeakPolarHBondContact O-CB 3.14Å; I478-S481 PolarHBondContact O-N 3.3Å; I478-S481 VanDerWaalsContact O-N 3.13Å; L479-S481 VanDerWaalsContact C-N 3.31Å; L479-S481 PolarHBondContact O-N 2.91Å; S481-V483 VanDerWaalsContact C-N 3.32Å; S481-V483 PolarHBondContact O-N 3.32Å; S481-K484 PolarHBondContact O-N 3.31Å; S481-T485 WeakPolarHBondContact O-CB 3.37Å; S481-T485 PolarHBondContact O-N 2.71Å; S481-T485 PolarHBondContact O-OG1 3.34Å |
| 482 | L | 85.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.8 | -47.3 | 174.3 | -71.9 | 171 | 0 | 0 | 0 | 111.5 | Y436 T437 T440 I478 L479 T485 N486 L489 L493 | Y436-L482 HydrophobicContact CD1-CD2 4.14Å; Y436-L482 HydrophobicContact CE1-CD1 4.04Å; Y436-L482 HydrophobicContact CE1-CD2 4Å; Y436-L482 HydrophobicContact CE1-CG 4.46Å; T437-L482 HydrophobicContact CG2-CD2 4.25Å; T440-L482 HydrophobicContact CG2-CD2 3.98Å; I478-L482 HydrophobicContact CG2-CD1 4.02Å; I478-L482 HydrophobicContact CG2-CG 4.35Å; I478-L482 WeakPolarHBondContact O-CG 3.42Å; I478-L482 PolarHBondContact O-N 3.45Å; L479-L482 HydrophobicContact CD2-CD1 4.47Å; L479-L482 PolarHBondContact O-N 3.36Å; L482-T485 PolarHBondContact O-N 3.12Å; L482-N486 CarbonylContact O-C 3.49Å; L482-N486 PolarHBondContact O-N 3.02Å; L482-L489 HydrophobicContact CD2-CD1 4.13Å; L482-L493 HydrophobicContact CD1-CD1 3.89Å |
| 483 | V | 82.3 | Confident | 80.6 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.5 | -44.1 | -179.4 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | L479 S481 T485 P487 L490 L518 N522 | L479-V483 VanDerWaalsContact O-CG2 3.29Å; L479-V483 WeakPolarHBondContact O-CG2 3.36Å; L479-V483 PolarHBondContact O-N 3.01Å; L479-V483 VanDerWaalsContact O-N 3.14Å; S481-V483 VanDerWaalsContact C-N 3.32Å; S481-V483 PolarHBondContact O-N 3.32Å; V483-T485 PolarHBondContact O-N 3.12Å; V483-P487 WeakPolarHBondContact O-CD 3.5Å; V483-L490 HydrophobicContact CG2-CB 4Å; V483-L490 HydrophobicContact CG2-CD1 4.48Å; V483-L490 HydrophobicContact CG2-CD2 3.22Å; V483-L490 HydrophobicContact CG2-CG 4.1Å; V483-L518 HydrophobicContact CG2-CB 4.04Å; V483-L518 HydrophobicContact CG2-CD1 4.26Å; V483-N522 WeakPolarHBondContact CG1-ND2 3.3Å |
| 484 | K | 81.6 | Confident | 80.6 | Confident | 192 Ų | 192 | 39.7 Ų | 39.7 | 84% | 0.835 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.4 | -31.9 | 176.9 | -174.1 | -179.9 | 178.4 | -174.5 | 0 | 111.9 | P480 S481 | P480-K484 VanDerWaalsContact O-CB 3.25Å; P480-K484 WeakPolarHBondContact O-CB 3.45Å; P480-K484 PolarHBondContact O-N 2.64Å; S481-K484 PolarHBondContact O-N 3.31Å |
| 485 | T | 82.9 | Confident | 80.2 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -80.8 | -50.9 | -179.8 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | T437 Q441 S481 L482 V483 | T437-T485 HydrophobicContact CG2-CG2 3.99Å; T437-T485 WeakPolarHBondContact CG2-OG1 3.4Å; Q441-T485 HydrophobicContact CB-CG2 4.04Å; Q441-T485 HydrophobicContact CG-CG2 3.91Å; S481-T485 WeakPolarHBondContact O-CB 3.37Å; S481-T485 PolarHBondContact O-N 2.71Å; S481-T485 PolarHBondContact O-OG1 3.34Å; L482-T485 PolarHBondContact O-N 3.12Å; V483-T485 PolarHBondContact O-N 3.12Å |
| 486 | N | 83.4 | Confident | 79.7 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | trans | -160.7 | 108.3 | 177.5 | 179.8 | 1.3 | 0 | 0 | 0 | 111.1 | Q441 Y444 L482 K488 L489 | Q441-N486 PolarHBondContact OE1-ND2 3.3Å; Y444-N486 WeakPolarHBondContact CD1-ND2 3.34Å; Y444-N486 WeakPolarHBondContact CE1-ND2 3.34Å; L482-N486 CarbonylContact O-C 3.49Å; L482-N486 PolarHBondContact O-N 3.02Å; N486-K488 PolarHBondContact O-N 3.11Å; N486-K488 WeakPolarHBondContact OD1-CB 3.16Å; N486-K488 PolarHBondContact OD1-N 3.06Å; N486-K488 VanDerWaalsContact OD1-N 3.11Å; N486-L489 HydrophobicContact CB-CD1 3.99Å; N486-L489 HydrophobicContact CB-CG 3.94Å; N486-L489 WeakPolarHBondContact O-CB 3.44Å; N486-L489 WeakPolarHBondContact O-CG 3.36Å; N486-L489 PolarHBondContact O-N 2.83Å | ||
| 487 | P | 78 | Confident | 79.2 | Confident | 37 Ų | 37 | 40.3 Ų | 40.3 | 24% | 0.24 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -26.5 | -179.4 | -26.1 | 34 | 0 | 0 | 0 | 114.7 | V483 L489 L490 E491 L519 N522 M524 | V483-P487 WeakPolarHBondContact O-CD 3.5Å; P487-L489 PolarHBondContact O-N 3.4Å; P487-L490 PolarHBondContact O-N 2.93Å; P487-E491 PolarHBondContact O-N 3.29Å; P487-L519 WeakPolarHBondContact O-CD2 3.38Å; P487-N522 HydrophobicContact CG-CB 4.35Å; P487-M524 HydrophobicContact CB-CE 4.29Å; P487-M524 HydrophobicContact CB-CG 3.87Å; P487-M524 HydrophobicContact CB-SD 3.89Å |
| 488 | K | 80.1 | Confident | 78.3 | Confident | 106 Ų | 106 | 38.7 Ų | 38.7 | 46% | 0.461 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.7 | -22.4 | 177.8 | -64.6 | -176.5 | 177.1 | -178.3 | 0 | 113.2 | Y444 N486 L490 E491 L492 M524 | Y444-K488 HydrophobicContact CE2-CB 4.39Å; Y444-K488 WeakPolarHBondContact OH-CD 3.38Å; N486-K488 PolarHBondContact O-N 3.11Å; N486-K488 WeakPolarHBondContact OD1-CB 3.16Å; N486-K488 PolarHBondContact OD1-N 3.06Å; N486-K488 VanDerWaalsContact OD1-N 3.11Å; K488-L490 VanDerWaalsContact C-N 3.32Å; K488-E491 WeakPolarHBondContact O-CB 3.17Å; K488-E491 PolarHBondContact O-N 3.24Å; K488-L492 PolarHBondContact O-N 3.46Å; K488-M524 HydrophobicContact CG-CE 4.22Å |
| 489 | L | 82.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.2 | -62.9 | 177.9 | 0 | 0 | 0 | 111.4 | T440 Y444 I451 L482 N486 P487 E491 L492 L493 | T440-L489 HydrophobicContact CG2-CB 4.49Å; T440-L489 HydrophobicContact CG2-CD1 3.84Å; T440-L489 HydrophobicContact CG2-CD2 3.86Å; T440-L489 HydrophobicContact CG2-CG 4.27Å; Y444-L489 HydrophobicContact CD2-CD2 3.85Å; Y444-L489 HydrophobicContact CG-CD2 3.75Å; I451-L489 HydrophobicContact CD1-CD2 4.08Å; L482-L489 HydrophobicContact CD2-CD1 4.13Å; N486-L489 HydrophobicContact CB-CD1 3.99Å; N486-L489 HydrophobicContact CB-CG 3.94Å; N486-L489 WeakPolarHBondContact O-CB 3.44Å; N486-L489 WeakPolarHBondContact O-CG 3.36Å; N486-L489 PolarHBondContact O-N 2.83Å; P487-L489 PolarHBondContact O-N 3.4Å; L489-E491 VanDerWaalsContact C-N 3.3Å; L489-L492 PolarHBondContact O-N 3.31Å; L489-L493 PolarHBondContact O-N 3.11Å; L489-L493 VanDerWaalsContact O-N 3.15Å |
| 490 | L | 77.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.7 | -30.7 | 178.2 | -164.6 | 66.3 | 0 | 0 | 0 | 111.4 | L479 V483 P487 K488 L493 V494 C515 L518 L519 | L479-L490 HydrophobicContact CD2-CD1 3.85Å; V483-L490 HydrophobicContact CG2-CB 4Å; V483-L490 HydrophobicContact CG2-CD1 4.48Å; V483-L490 HydrophobicContact CG2-CD2 3.22Å; V483-L490 HydrophobicContact CG2-CG 4.1Å; P487-L490 PolarHBondContact O-N 2.93Å; K488-L490 VanDerWaalsContact C-N 3.32Å; L490-L493 HydrophobicContact CD1-CB 4.46Å; L490-L493 HydrophobicContact CD1-CD1 4.14Å; L490-L493 WeakPolarHBondContact O-CB 3.36Å; L490-L493 PolarHBondContact O-N 3.2Å; L490-V494 WeakPolarHBondContact O-CG2 3.45Å; L490-V494 PolarHBondContact O-N 3.33Å; L490-C515 HydrophobicContact CD1-CB 3.95Å; L490-C515 HydrophobicContact CD2-CB 4.26Å; L490-C515 WeakPolarHBondContact CD2-O 3.45Å; L490-C515 HydrophobicContact CG-CB 4.1Å; L490-L518 HydrophobicContact CD2-CB 3.73Å; L490-L518 HydrophobicContact CD2-CD1 4.4Å; L490-L519 HydrophobicContact CB-CD2 3.95Å; L490-L519 HydrophobicContact CB-CG 4.25Å; L490-L519 HydrophobicContact CD2-CD2 4.25Å; L490-L519 HydrophobicContact CD2-CG 3.8Å; L490-L519 HydrophobicContact CG-CD1 4.39Å; L490-L519 HydrophobicContact CG-CD2 4.33Å; L490-L519 HydrophobicContact CG-CG 4.06Å |
| 491 | E | 75.7 | Confident | 73.1 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -43.9 | 171.7 | -171.1 | -166.9 | 147.1 | 0 | 0 | 111.9 | P487 K488 L489 L493 V494 K495 M524 Y528 | P487-E491 PolarHBondContact O-N 3.29Å; K488-E491 WeakPolarHBondContact O-CB 3.17Å; K488-E491 PolarHBondContact O-N 3.24Å; L489-E491 VanDerWaalsContact C-N 3.3Å; E491-L493 VanDerWaalsContact C-N 3.34Å; E491-V494 PolarHBondContact O-N 3.15Å; E491-K495 WeakPolarHBondContact O-CG 3.49Å; E491-K495 PolarHBondContact O-N 3.17Å; E491-K495 VanDerWaalsContact OE1-CE 3.3Å; E491-K495 WeakPolarHBondContact OE1-CE 3.19Å; E491-K495 IonicContact OE1-NZ 2.84Å; E491-K495 PolarHBondContact OE1-NZ 3.28Å; E491-M524 HydrophobicContact CB-CE 3.98Å; E491-M524 HydrophobicContact CG-CE 4.48Å; E491-M524 VanDerWaalsContact OE2-CE 3.29Å; E491-M524 WeakPolarHBondContact OE2-CE 3.45Å; E491-Y528 HydrophobicContact CG-CD2 4.28Å; E491-Y528 WeakPolarHBondContact OE1-CE2 3.5Å |
| 492 | L | 76.4 | Confident | 71.5 | Confident | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 175.5 | -70.5 | 170.9 | 0 | 0 | 0 | 112 | Y444 I451 L455 K488 L489 R496 | Y444-L492 HydrophobicContact CD2-CD1 3.93Å; Y444-L492 HydrophobicContact CE2-CD1 4.13Å; I451-L492 HydrophobicContact CD1-CD1 3.75Å; I451-L492 HydrophobicContact CG1-CD1 4.45Å; L455-L492 HydrophobicContact CD1-CB 3.51Å; L455-L492 HydrophobicContact CD1-CD1 4.38Å; K488-L492 PolarHBondContact O-N 3.46Å; L489-L492 PolarHBondContact O-N 3.31Å; L492-R496 PolarHBondContact O-N 3.47Å |
| 493 | L | 78.6 | Confident | 69.7 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -49.7 | 174.2 | -106.7 | 158.1 | 0 | 0 | 0 | 111.9 | L455 L458 V459 L482 L489 L490 E491 R496 C497 F511 | L455-L493 HydrophobicContact CB-CD2 4.44Å; L455-L493 HydrophobicContact CB-CG 4.16Å; L455-L493 HydrophobicContact CD1-CG 4.31Å; L455-L493 HydrophobicContact CD2-CD1 3.91Å; L455-L493 HydrophobicContact CD2-CG 3.92Å; L455-L493 HydrophobicContact CG-CG 4.34Å; L458-L493 HydrophobicContact CD2-CD1 4.31Å; L458-L493 HydrophobicContact CD2-CD2 4.42Å; V459-L493 HydrophobicContact CG2-CD2 3.41Å; V459-L493 VanDerWaalsContact CG2-CD2 3.41Å; L482-L493 HydrophobicContact CD1-CD1 3.89Å; L489-L493 PolarHBondContact O-N 3.11Å; L489-L493 VanDerWaalsContact O-N 3.15Å; L490-L493 HydrophobicContact CD1-CB 4.46Å; L490-L493 HydrophobicContact CD1-CD1 4.14Å; L490-L493 WeakPolarHBondContact O-CB 3.36Å; L490-L493 PolarHBondContact O-N 3.2Å; E491-L493 VanDerWaalsContact C-N 3.34Å; L493-R496 PolarHBondContact O-N 3.04Å; L493-R496 VanDerWaalsContact O-N 3.15Å; L493-C497 PolarHBondContact O-N 3.27Å; L493-C497 VanDerWaalsContact O-N 3.16Å; L493-C497 PolarHBondContact O-SG 3.31Å; L493-F511 HydrophobicContact CD2-CE1 4.33Å; L493-F511 HydrophobicContact CD2-CZ 4.11Å |
| 494 | V | 74.6 | Confident | 68.1 | Low | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | -179.7 | 170.1 | 0 | 0 | 0 | 0 | 112 | L490 E491 R496 C497 C515 Y516 L519 | L490-V494 WeakPolarHBondContact O-CG2 3.45Å; L490-V494 PolarHBondContact O-N 3.33Å; E491-V494 PolarHBondContact O-N 3.15Å; V494-R496 PolarHBondContact O-N 3.47Å; V494-R496 VanDerWaalsContact O-N 3.14Å; V494-C497 PolarHBondContact O-N 3.1Å; V494-C515 HydrophobicContact CG2-CB 3.61Å; V494-Y516 HydrophobicContact CG1-CE1 3.73Å; V494-Y516 HydrophobicContact CG1-CE2 3.84Å; V494-Y516 WeakPolarHBondContact CG1-OH 3.37Å; V494-L519 HydrophobicContact CG2-CD1 3.91Å |
| 495 | K | 72.2 | Confident | 66.6 | Low | 63 Ų | 63 | 63.3 Ų | 63.3 | 27% | 0.274 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.4 | -29.3 | 175.5 | -77.8 | 179 | -175.1 | 168.7 | 0 | 112.1 | E491 Y528 | E491-K495 WeakPolarHBondContact O-CG 3.49Å; E491-K495 PolarHBondContact O-N 3.17Å; E491-K495 VanDerWaalsContact OE1-CE 3.3Å; E491-K495 WeakPolarHBondContact OE1-CE 3.19Å; E491-K495 IonicContact OE1-NZ 2.84Å; E491-K495 PolarHBondContact OE1-NZ 3.28Å; K495-Y528 VanDerWaalsContact CE-CD1 3.42Å |
| 496 | R | 68.4 | Low | 65.2 | Low | 118 Ų | 118 | 65.8 Ų | 65.8 | 45% | 0.445 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -84.4 | -42.6 | -177 | -171.5 | 59.5 | 176.9 | 157.4 | 10.1 | 113.8 | S456 L492 L493 V494 N498 N499 | S456-R496 WeakPolarHBondContact OG-CG 3.38Å; S456-R496 PolarHBondContact OG-NE 3.45Å; L492-R496 PolarHBondContact O-N 3.47Å; L493-R496 PolarHBondContact O-N 3.04Å; L493-R496 VanDerWaalsContact O-N 3.15Å; V494-R496 PolarHBondContact O-N 3.47Å; V494-R496 VanDerWaalsContact O-N 3.14Å; R496-N498 PolarHBondContact O-N 3.35Å; R496-N498 VanDerWaalsContact O-N 3.09Å; R496-N499 PolarHBondContact NH1-ND2 2.98Å; R496-N499 VanDerWaalsContact NH1-ND2 3.12Å; R496-N499 PolarHBondContact O-N 3.25Å |
| 497 | C | 67.8 | Low | 64.1 | Low | 8 Ų | 8 | 67.6 Ų | 67.6 | 5% | 0.054 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.4 | -23 | 177.5 | -66 | 0 | 0 | 0 | 0 | 113.3 | V459 L493 V494 L512 | V459-C497 VanDerWaalsContact CG2-SG 3.52Å; L493-C497 PolarHBondContact O-N 3.27Å; L493-C497 VanDerWaalsContact O-N 3.16Å; L493-C497 PolarHBondContact O-SG 3.31Å; V494-C497 PolarHBondContact O-N 3.1Å; C497-L512 HydrophobicContact CB-CD2 3.38Å; C497-L512 HydrophobicContact CB-CG 4.28Å |
| 498 | N | 60.2 | Low | 63.5 | Low | 27 Ų | 27 | 66.1 Ų | 66.1 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -1 | -174 | -83.1 | -17.4 | 0 | 0 | 0 | 115.3 | R496 Y516 Y531 | R496-N498 PolarHBondContact O-N 3.35Å; R496-N498 VanDerWaalsContact O-N 3.09Å; N498-Y516 PolarHBondContact ND2-OH 3.46Å; N498-Y531 HydrophobicContact CB-CD1 4.44Å; N498-Y531 HydrophobicContact CB-CG 4.08Å; N498-Y531 VanDerWaalsContact CG-CB 3.48Å; N498-Y531 WeakPolarHBondContact ND2-CB 3.45Å |
| 499 | N | 51.9 | Low | 62.8 | Low | 76 Ų | 76 | 61.9 Ų | 61.9 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -70.7 | 134.3 | 169.1 | -77.3 | -15 | 0 | 0 | 0 | 109.5 | R496 S501 | R496-N499 PolarHBondContact NH1-ND2 2.98Å; R496-N499 VanDerWaalsContact NH1-ND2 3.12Å; R496-N499 PolarHBondContact O-N 3.25Å; N499-S501 PolarHBondContact O-N 3.41Å |
| 500 | D | 44.6 | Very low | 62 | Low | 177 Ų | 177 | 63.7 Ų | 63.7 | 95% | 0.947 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -0.2 | -162.2 | -69.9 | -42.4 | 0 | 0 | 0 | 118.8 | ||
| 501 | S | 47.6 | Very low | 61.8 | Low | 108 Ų | 108 | 63.7 Ų | 63.7 | 76% | 0.755 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -1.5 | -173.8 | 58.3 | 0 | 0 | 0 | 0 | 115.5 | N499 K503 | N499-S501 PolarHBondContact O-N 3.41Å; S501-K503 PolarHBondContact O-N 2.98Å |
| 502 | V | 48.9 | Very low | 61.6 | Low | 42 Ų | 42 | 62.2 Ų | 62.2 | 26% | 0.255 | 33% | 0.327 | S | S | . | . | trans | -91.7 | 105.9 | -176 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | I463 M504 L508 | I463-V502 HydrophobicContact CD1-CG1 3.53Å; V502-M504 PolarHBondContact O-N 3.34Å; V502-L508 HydrophobicContact CB-CD2 4.31Å; V502-L508 HydrophobicContact CG1-CD2 3.43Å; V502-L508 VanDerWaalsContact CG1-CD2 3.43Å | ||
| 503 | K | 48.7 | Very low | 61.4 | Low | 184 Ų | 184 | 60.2 Ų | 60.2 | 80% | 0.8 | 32% | 0.316 | S | S | * | . | trans | -56.6 | 123.4 | 166.9 | -76.1 | -178.7 | 176.5 | 179.2 | 0 | 108.3 | S501 D505 | S501-K503 PolarHBondContact O-N 2.98Å; K503-D505 VanDerWaalsContact C-N 3.3Å; K503-D505 PolarHBondContact O-N 3.48Å | ||
| 504 | M | 47.4 | Very low | 61.1 | Low | 115 Ų | 115 | 60.9 Ų | 60.9 | 57% | 0.567 | 32% | 0.321 | S | S | * | . | trans | -69 | 83.5 | -179.5 | -71.9 | -83.6 | -160.9 | 0 | 0 | 110.3 | V502 L508 F536 | V502-M504 PolarHBondContact O-N 3.34Å; M504-L508 HydrophobicContact SD-CD2 4.41Å; M504-F536 HydrophobicContact CE-CB 4.13Å; M504-F536 HydrophobicContact CE-CD2 3.41Å; M504-F536 VanDerWaalsContact CE-CD2 3.41Å; M504-F536 HydrophobicContact CE-CE2 4.09Å; M504-F536 HydrophobicContact CE-CG 3.98Å; M504-F536 HydrophobicContact SD-CD2 3.7Å; M504-F536 HydrophobicContact SD-CE2 3.93Å | ||
| 505 | D | 50.5 | Low | 61 | Low | 96 Ų | 96 | 60.5 Ų | 60.5 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | trans | -72.3 | 161.3 | 162.6 | -89.6 | -35 | 0 | 0 | 0 | 110.9 | K503 D507 P509 | K503-D505 VanDerWaalsContact C-N 3.3Å; K503-D505 PolarHBondContact O-N 3.48Å; D505-D507 VanDerWaalsContact C-N 3.29Å; D505-D507 PolarHBondContact O-N 3.28Å; D505-D507 VanDerWaalsContact O-N 3.15Å; D505-P509 WeakPolarHBondContact O-CD 2.97Å | ||
| 506 | T | 53.7 | Low | 61 | Low | 118 Ų | 118 | 57.8 Ų | 57.8 | 72% | 0.724 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.6 | -165.3 | 47.2 | 0 | 0 | 0 | 0 | 116 | P509 | T506-P509 VanDerWaalsContact O-CD 3.3Å; T506-P509 WeakPolarHBondContact O-CD 3.37Å |
| 507 | D | 59.5 | Low | 61.2 | Low | 60 Ų | 60 | 54.3 Ų | 54.3 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -21.4 | -171.4 | -61.7 | -26.6 | 0 | 0 | 0 | 114.6 | F462 H471 D505 T510 F511 | F462-D507 HydrophobicContact CE1-CB 4.15Å; F462-D507 WeakPolarHBondContact CE1-O 3.4Å; H471-D507 IonicContact CD2-OD2 3.81Å; H471-D507 IonicContact CE1-OD2 3.31Å; H471-D507 IonicContact NE2-OD2 3.97Å; H471-D507 PolarHBondContact NE2-OD2 2.72Å; D505-D507 VanDerWaalsContact C-N 3.29Å; D505-D507 PolarHBondContact O-N 3.28Å; D505-D507 VanDerWaalsContact O-N 3.15Å; D507-T510 PolarHBondContact O-N 2.94Å; D507-F511 PolarHBondContact O-N 2.93Å |
| 508 | L | 65.4 | Low | 61.4 | Low | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.4 | -35 | 172.1 | -173 | 65.8 | 0 | 0 | 0 | 113.3 | I463 V502 M504 T510 F511 L512 | I463-L508 HydrophobicContact CD1-CD1 4.09Å; I463-L508 HydrophobicContact CG1-CD1 3.97Å; V502-L508 HydrophobicContact CB-CD2 4.31Å; V502-L508 HydrophobicContact CG1-CD2 3.43Å; V502-L508 VanDerWaalsContact CG1-CD2 3.43Å; M504-L508 HydrophobicContact SD-CD2 4.41Å; L508-T510 PolarHBondContact O-N 3.27Å; L508-F511 PolarHBondContact O-N 3.45Å; L508-L512 HydrophobicContact CD1-CD1 4.41Å; L508-L512 HydrophobicContact CD1-CG 4.35Å; L508-L512 HydrophobicContact CD2-CD1 4.34Å; L508-L512 HydrophobicContact CG-CD1 3.93Å; L508-L512 HydrophobicContact CG-CG 4.31Å; L508-L512 WeakPolarHBondContact O-CB 3.36Å; L508-L512 PolarHBondContact O-N 3.27Å |
| 509 | P | 65.5 | Low | 61.9 | Low | 18 Ų | 18 | 54.7 Ų | 54.7 | 12% | 0.117 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 179.3 | -23.4 | 29.7 | 0 | 0 | 0 | 114.2 | D505 T506 L512 L513 F536 L548 | D505-P509 WeakPolarHBondContact O-CD 2.97Å; T506-P509 VanDerWaalsContact O-CD 3.3Å; T506-P509 WeakPolarHBondContact O-CD 3.37Å; P509-L512 PolarHBondContact O-N 2.97Å; P509-L513 VanDerWaalsContact O-CB 3.3Å; P509-L513 WeakPolarHBondContact O-CB 3.42Å; P509-L513 WeakPolarHBondContact O-CD1 3.5Å; P509-L513 WeakPolarHBondContact O-CG 3.26Å; P509-L513 PolarHBondContact O-N 2.83Å; P509-F536 VanDerWaalsContact CA-CZ 3.43Å; P509-F536 HydrophobicContact CB-CE2 3.47Å; P509-F536 VanDerWaalsContact CB-CE2 3.47Å; P509-F536 HydrophobicContact CB-CZ 3.56Å; P509-F536 HydrophobicContact CG-CE2 3.73Å; P509-F536 HydrophobicContact CG-CZ 4.33Å; P509-L548 HydrophobicContact CB-CD1 4.36Å |
| 510 | T | 66 | Low | 62.7 | Low | 37 Ų | 37 | 51.7 Ų | 51.7 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | -178.7 | -47.5 | 0 | 0 | 0 | 0 | 110.9 | I475 D507 L508 T514 L548 | I475-T510 HydrophobicContact CD1-CG2 4.16Å; D507-T510 PolarHBondContact O-N 2.94Å; L508-T510 PolarHBondContact O-N 3.27Å; T510-T514 VanDerWaalsContact O-CB 3.28Å; T510-T514 WeakPolarHBondContact O-CB 3.45Å; T510-T514 PolarHBondContact O-N 3.34Å; T510-T514 PolarHBondContact O-OG1 3.42Å; T510-L548 HydrophobicContact CG2-CD1 4.43Å |
| 511 | F | 73.7 | Confident | 63.8 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -52 | 176 | -178.9 | -95.2 | 0 | 0 | 0 | 111.8 | V459 F462 V474 L479 L493 D507 L508 T514 C515 | V459-F511 HydrophobicContact CG2-CE1 4.22Å; F462-F511 HydrophobicContact CD1-CB 4.01Å; F462-F511 HydrophobicContact CD1-CD2 4.17Å; F462-F511 HydrophobicContact CD1-CG 4.14Å; F462-F511 AromaticContact CD2-CD2 3.67Å; F462-F511 HydrophobicContact CD2-CD2 3.67Å; F462-F511 HydrophobicContact CD2-CE2 4.09Å; F462-F511 HydrophobicContact CD2-CG 4.44Å; F462-F511 HydrophobicContact CE1-CB 3.5Å; F462-F511 HydrophobicContact CE1-CD2 4.15Å; F462-F511 HydrophobicContact CE1-CG 4.06Å; F462-F511 HydrophobicContact CE2-CB 4.3Å; F462-F511 AromaticContact CE2-CD2 3.61Å; F462-F511 HydrophobicContact CE2-CD2 3.61Å; F462-F511 HydrophobicContact CE2-CE2 4.39Å; F462-F511 HydrophobicContact CE2-CG 4.33Å; F462-F511 AromaticContact CG-CD2 3.94Å; F462-F511 HydrophobicContact CG-CD2 3.94Å; F462-F511 HydrophobicContact CG-CE2 4.38Å; F462-F511 HydrophobicContact CG-CG 4.33Å; F462-F511 HydrophobicContact CZ-CB 3.66Å; F462-F511 AromaticContact CZ-CD2 3.87Å; F462-F511 HydrophobicContact CZ-CD2 3.87Å; F462-F511 HydrophobicContact CZ-CG 4.15Å; V474-F511 HydrophobicContact CG1-CD2 4.38Å; V474-F511 HydrophobicContact CG1-CE2 3.86Å; L479-F511 HydrophobicContact CD1-CD2 4.14Å; L479-F511 HydrophobicContact CD1-CE2 4.01Å; L479-F511 HydrophobicContact CD2-CE2 3.89Å; L479-F511 HydrophobicContact CD2-CZ 4.08Å; L479-F511 HydrophobicContact CG-CE2 4.28Å; L493-F511 HydrophobicContact CD2-CE1 4.33Å; L493-F511 HydrophobicContact CD2-CZ 4.11Å; D507-F511 PolarHBondContact O-N 2.93Å; L508-F511 PolarHBondContact O-N 3.45Å; F511-T514 PolarHBondContact O-N 2.78Å; F511-C515 PolarHBondContact O-N 2.95Å; F511-C515 PolarHBondContact O-SG 3.09Å |
| 512 | L | 71.6 | Confident | 64.8 | Low | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59 | -51.2 | 178.3 | -82.1 | 173.9 | 0 | 0 | 0 | 111.5 | C497 L508 P509 T514 C515 Y516 F536 | C497-L512 HydrophobicContact CB-CD2 3.38Å; C497-L512 HydrophobicContact CB-CG 4.28Å; L508-L512 HydrophobicContact CD1-CD1 4.41Å; L508-L512 HydrophobicContact CD1-CG 4.35Å; L508-L512 HydrophobicContact CD2-CD1 4.34Å; L508-L512 HydrophobicContact CG-CD1 3.93Å; L508-L512 HydrophobicContact CG-CG 4.31Å; L508-L512 WeakPolarHBondContact O-CB 3.36Å; L508-L512 PolarHBondContact O-N 3.27Å; P509-L512 PolarHBondContact O-N 2.97Å; L512-T514 VanDerWaalsContact C-N 3.28Å; L512-T514 PolarHBondContact O-N 3.16Å; L512-C515 WeakPolarHBondContact O-CB 3.4Å; L512-C515 PolarHBondContact O-N 3.48Å; L512-C515 VanDerWaalsContact O-N 3.1Å; L512-Y516 HydrophobicContact CD2-CE2 4.5Å; L512-Y516 WeakPolarHBondContact O-CD2 3.19Å; L512-Y516 PolarHBondContact O-N 2.82Å; L512-F536 HydrophobicContact CD1-CZ 4.46Å |
| 513 | L | 71.9 | Confident | 65.3 | Low | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -38 | 179.5 | -82.5 | 162.7 | 0 | 0 | 0 | 112.5 | P509 Y516 H517 F536 L537 C540 L548 L551 A552 V555 | P509-L513 VanDerWaalsContact O-CB 3.3Å; P509-L513 WeakPolarHBondContact O-CB 3.42Å; P509-L513 WeakPolarHBondContact O-CD1 3.5Å; P509-L513 WeakPolarHBondContact O-CG 3.26Å; P509-L513 PolarHBondContact O-N 2.83Å; L513-Y516 PolarHBondContact O-N 3.39Å; L513-H517 WeakPolarHBondContact O-CB 3.22Å; L513-H517 PolarHBondContact O-N 3.44Å; L513-F536 HydrophobicContact CD1-CE1 4.43Å; L513-F536 HydrophobicContact CD1-CZ 4.47Å; L513-F536 HydrophobicContact CG-CE1 4.3Å; L513-L537 HydrophobicContact CD2-CD1 4.3Å; L513-C540 HydrophobicContact CD1-CB 3.73Å; L513-C540 VanDerWaalsContact CD1-SG 3.59Å; L513-L548 HydrophobicContact CD1-CD1 3.43Å; L513-L548 VanDerWaalsContact CD1-CD1 3.43Å; L513-L548 HydrophobicContact CD1-CG 4.25Å; L513-L551 HydrophobicContact CB-CB 4.26Å; L513-A552 HydrophobicContact CD1-CB 4.1Å; L513-A552 HydrophobicContact CD2-CB 4.01Å; L513-V555 HydrophobicContact CD2-CB 4.07Å; L513-V555 HydrophobicContact CD2-CG1 4.47Å; L513-V555 HydrophobicContact CD2-CG2 3.79Å |
| 514 | T | 72.5 | Confident | 66 | Low | 15 Ų | 15 | 41.6 Ų | 41.6 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 174.5 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | I475 L479 T510 F511 L512 H517 L518 | I475-T514 HydrophobicContact CG2-CG2 4.17Å; L479-T514 HydrophobicContact CD1-CG2 3.96Å; T510-T514 VanDerWaalsContact O-CB 3.28Å; T510-T514 WeakPolarHBondContact O-CB 3.45Å; T510-T514 PolarHBondContact O-N 3.34Å; T510-T514 PolarHBondContact O-OG1 3.42Å; F511-T514 PolarHBondContact O-N 2.78Å; L512-T514 VanDerWaalsContact C-N 3.28Å; L512-T514 PolarHBondContact O-N 3.16Å; T514-H517 PolarHBondContact O-N 3.31Å; T514-L518 HydrophobicContact CG2-CD1 4.03Å; T514-L518 HydrophobicContact CG2-CG 4.41Å; T514-L518 WeakPolarHBondContact O-CG 3.38Å; T514-L518 PolarHBondContact O-N 3Å |
| 515 | C | 73.9 | Confident | 66.4 | Low | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 176.5 | -65 | 0 | 0 | 0 | 0 | 111.2 | L490 V494 F511 L512 H517 L518 L519 | L490-C515 HydrophobicContact CD1-CB 3.95Å; L490-C515 HydrophobicContact CD2-CB 4.26Å; L490-C515 WeakPolarHBondContact CD2-O 3.45Å; L490-C515 HydrophobicContact CG-CB 4.1Å; V494-C515 HydrophobicContact CG2-CB 3.61Å; F511-C515 PolarHBondContact O-N 2.95Å; F511-C515 PolarHBondContact O-SG 3.09Å; L512-C515 WeakPolarHBondContact O-CB 3.4Å; L512-C515 PolarHBondContact O-N 3.48Å; L512-C515 VanDerWaalsContact O-N 3.1Å; C515-H517 VanDerWaalsContact C-N 3.34Å; C515-H517 PolarHBondContact O-N 3.37Å; C515-L518 PolarHBondContact O-N 3.08Å; C515-L519 WeakPolarHBondContact O-CG 3.41Å; C515-L519 PolarHBondContact O-N 2.88Å |
| 516 | Y | 70.8 | Confident | 66.5 | Low | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.02 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 175.9 | -80.8 | -72.1 | 0 | 0 | 0 | 112.4 | V494 N498 L512 L513 L519 S520 L526 C529 L532 | V494-Y516 HydrophobicContact CG1-CE1 3.73Å; V494-Y516 HydrophobicContact CG1-CE2 3.84Å; V494-Y516 WeakPolarHBondContact CG1-OH 3.37Å; N498-Y516 PolarHBondContact ND2-OH 3.46Å; L512-Y516 HydrophobicContact CD2-CE2 4.5Å; L512-Y516 WeakPolarHBondContact O-CD2 3.19Å; L512-Y516 PolarHBondContact O-N 2.82Å; L513-Y516 PolarHBondContact O-N 3.39Å; Y516-L519 PolarHBondContact O-N 2.83Å; Y516-S520 WeakPolarHBondContact O-CB 3.44Å; Y516-S520 PolarHBondContact O-N 3.38Å; Y516-L526 HydrophobicContact CD1-CD2 4.04Å; Y516-C529 WeakPolarHBondContact CE1-SG 3.31Å; Y516-L532 HydrophobicContact CD2-CD1 4.35Å; Y516-L532 HydrophobicContact CE2-CD1 3.81Å |
| 517 | H | 72.5 | Confident | 66.5 | Low | 45 Ų | 45 | 37 Ų | 37 | 21% | 0.208 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 178.7 | -173.8 | 52.2 | 0 | 0 | 0 | 111.8 | L513 T514 C515 L519 S520 L521 L551 | L513-H517 WeakPolarHBondContact O-CB 3.22Å; L513-H517 PolarHBondContact O-N 3.44Å; T514-H517 PolarHBondContact O-N 3.31Å; C515-H517 VanDerWaalsContact C-N 3.34Å; C515-H517 PolarHBondContact O-N 3.37Å; H517-L519 PolarHBondContact O-N 3.04Å; H517-S520 PolarHBondContact O-N 2.82Å; H517-S520 PolarHBondContact O-OG 3.47Å; H517-L521 WeakPolarHBondContact O-CG 3.44Å; H517-L521 PolarHBondContact O-N 3.42Å; H517-L521 VanDerWaalsContact O-N 3.07Å; H517-L551 HydrophobicContact CB-CD2 3.91Å |
| 518 | L | 72.7 | Confident | 65.9 | Low | 30 Ų | 30 | 39.5 Ų | 39.5 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 178 | -71.5 | 171.6 | 0 | 0 | 0 | 112.7 | L479 V483 L490 T514 C515 L521 N522 | L479-L518 HydrophobicContact CB-CD1 3.84Å; V483-L518 HydrophobicContact CG2-CB 4.04Å; V483-L518 HydrophobicContact CG2-CD1 4.26Å; L490-L518 HydrophobicContact CD2-CB 3.73Å; L490-L518 HydrophobicContact CD2-CD1 4.4Å; T514-L518 HydrophobicContact CG2-CD1 4.03Å; T514-L518 HydrophobicContact CG2-CG 4.41Å; T514-L518 WeakPolarHBondContact O-CG 3.38Å; T514-L518 PolarHBondContact O-N 3Å; C515-L518 PolarHBondContact O-N 3.08Å; L518-L521 PolarHBondContact O-N 2.96Å; L518-N522 PolarHBondContact O-N 3.25Å; L518-N522 PolarHBondContact O-ND2 2.81Å |
| 519 | L | 71.3 | Confident | 65.2 | Low | 13 Ų | 13 | 40.1 Ų | 40.1 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.3 | -44.1 | 172.6 | -76.7 | 170.9 | 0 | 0 | 0 | 111.5 | P487 L490 V494 C515 Y516 H517 L521 N522 M524 | P487-L519 WeakPolarHBondContact O-CD2 3.38Å; L490-L519 HydrophobicContact CB-CD2 3.95Å; L490-L519 HydrophobicContact CB-CG 4.25Å; L490-L519 HydrophobicContact CD2-CD2 4.25Å; L490-L519 HydrophobicContact CD2-CG 3.8Å; L490-L519 HydrophobicContact CG-CD1 4.39Å; L490-L519 HydrophobicContact CG-CD2 4.33Å; L490-L519 HydrophobicContact CG-CG 4.06Å; V494-L519 HydrophobicContact CG2-CD1 3.91Å; C515-L519 WeakPolarHBondContact O-CG 3.41Å; C515-L519 PolarHBondContact O-N 2.88Å; Y516-L519 PolarHBondContact O-N 2.83Å; H517-L519 PolarHBondContact O-N 3.04Å; L519-L521 VanDerWaalsContact C-N 3.31Å; L519-L521 PolarHBondContact O-N 3.01Å; L519-N522 PolarHBondContact O-N 2.87Å; L519-M524 HydrophobicContact CD2-CB 4.35Å; L519-M524 HydrophobicContact CD2-CE 3.92Å; L519-M524 HydrophobicContact CD2-CG 4.23Å; L519-M524 PolarHBondContact O-N 3.22Å |
| 520 | S | 68 | Low | 64.4 | Low | 13 Ų | 13 | 46.4 Ų | 46.4 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -35.7 | -179.4 | 81.8 | 0 | 0 | 0 | 0 | 113 | Y516 H517 G523 K562 | Y516-S520 WeakPolarHBondContact O-CB 3.44Å; Y516-S520 PolarHBondContact O-N 3.38Å; H517-S520 PolarHBondContact O-N 2.82Å; H517-S520 PolarHBondContact O-OG 3.47Å; S520-G523 PolarHBondContact O-N 3.24Å; S520-K562 PolarHBondContact O-NZ 3.1Å |
| 521 | L | 68.2 | Low | 63.7 | Low | 114 Ų | 114 | 50 Ų | 50 | 60% | 0.597 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -70.2 | -30.6 | 179.5 | -76.1 | 171.4 | 0 | 0 | 0 | 112.6 | H517 L518 L519 G523 | H517-L521 WeakPolarHBondContact O-CG 3.44Å; H517-L521 PolarHBondContact O-N 3.42Å; H517-L521 VanDerWaalsContact O-N 3.07Å; L518-L521 PolarHBondContact O-N 2.96Å; L519-L521 VanDerWaalsContact C-N 3.31Å; L519-L521 PolarHBondContact O-N 3.01Å; L521-G523 VanDerWaalsContact C-N 3.29Å; L521-G523 PolarHBondContact O-N 3.4Å |
| 522 | N | 67.7 | Low | 63.1 | Low | 83 Ų | 83 | 50.9 Ų | 50.9 | 44% | 0.444 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 15.2 | -179.8 | -69.8 | -76.2 | 0 | 0 | 0 | 113.7 | V483 P487 L518 L519 M524 | V483-N522 WeakPolarHBondContact CG1-ND2 3.3Å; P487-N522 HydrophobicContact CG-CB 4.35Å; L518-N522 PolarHBondContact O-N 3.25Å; L518-N522 PolarHBondContact O-ND2 2.81Å; L519-N522 PolarHBondContact O-N 2.87Å; N522-M524 PolarHBondContact O-N 3.09Å |
| 523 | G | 60.3 | Low | 62.9 | Low | 60 Ų | 60 | 53.6 Ų | 53.6 | 62% | 0.619 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 12.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S520 L521 | S520-G523 PolarHBondContact O-N 3.24Å; L521-G523 VanDerWaalsContact C-N 3.29Å; L521-G523 PolarHBondContact O-N 3.4Å |
| 524 | M | 62.2 | Low | 62.8 | Low | 43 Ų | 43 | 55.9 Ų | 55.9 | 21% | 0.212 | 29% | 0.29 | C | S | . | . | trans | -69 | 137.8 | 176.1 | -69.1 | -92.8 | -71.9 | 0 | 0 | 110.4 | P487 K488 E491 L519 N522 L526 | P487-M524 HydrophobicContact CB-CE 4.29Å; P487-M524 HydrophobicContact CB-CG 3.87Å; P487-M524 HydrophobicContact CB-SD 3.89Å; K488-M524 HydrophobicContact CG-CE 4.22Å; E491-M524 HydrophobicContact CB-CE 3.98Å; E491-M524 HydrophobicContact CG-CE 4.48Å; E491-M524 VanDerWaalsContact OE2-CE 3.29Å; E491-M524 WeakPolarHBondContact OE2-CE 3.45Å; L519-M524 HydrophobicContact CD2-CB 4.35Å; L519-M524 HydrophobicContact CD2-CE 3.92Å; L519-M524 HydrophobicContact CD2-CG 4.23Å; L519-M524 PolarHBondContact O-N 3.22Å; N522-M524 PolarHBondContact O-N 3.09Å; M524-L526 PolarHBondContact O-N 2.88Å | ||
| 525 | K | 56.3 | Low | 62.8 | Low | 142 Ų | 142 | 61.4 Ų | 61.4 | 62% | 0.617 | 32% | 0.319 | S | S | * | . | trans | -69.9 | 121.4 | 180 | -64.1 | -172.9 | 177.5 | -164 | 0 | 110.2 | N527 E564 | K525-N527 PolarHBondContact O-N 2.89Å; K525-N527 VanDerWaalsContact O-N 3.1Å; K525-E564 WeakPolarHBondContact CE-OE1 3.44Å; K525-E564 IonicContact NZ-OE1 3.86Å; K525-E564 PolarHBondContact NZ-OE1 2.98Å | ||
| 526 | L | 53.4 | Low | 62.8 | Low | 21 Ų | 21 | 62.1 Ų | 62.1 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | trans | -79.1 | 22.7 | -178.1 | -77.1 | 137.8 | 0 | 0 | 0 | 113.9 | Y516 M524 Y528 C529 S558 K562 | Y516-L526 HydrophobicContact CD1-CD2 4.04Å; M524-L526 PolarHBondContact O-N 2.88Å; L526-Y528 PolarHBondContact O-N 3.47Å; L526-C529 WeakPolarHBondContact CD2-SG 2.85Å; L526-C529 WeakPolarHBondContact O-CB 3.32Å; L526-C529 PolarHBondContact O-N 3.45Å; L526-S558 WeakPolarHBondContact CD1-OG 3.46Å; L526-K562 HydrophobicContact CD1-CB 4.48Å; L526-K562 HydrophobicContact CD1-CD 4.2Å | ||
| 527 | N | 52.4 | Low | 63.1 | Low | 70 Ų | 70 | 62 Ų | 62 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -12.5 | 178.4 | -72.2 | -1.6 | 0 | 0 | 0 | 113 | K525 E564 | K525-N527 PolarHBondContact O-N 2.89Å; K525-N527 VanDerWaalsContact O-N 3.1Å; N527-E564 PolarHBondContact ND2-OE2 2.6Å |
| 528 | Y | 48.5 | Very low | 63.4 | Low | 111 Ų | 111 | 65.8 Ų | 65.8 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 11.3 | 175.8 | -56.5 | -74.3 | 0 | 0 | 0 | 114.1 | E491 K495 L526 E530 Y531 | E491-Y528 HydrophobicContact CG-CD2 4.28Å; E491-Y528 WeakPolarHBondContact OE1-CE2 3.5Å; K495-Y528 VanDerWaalsContact CE-CD1 3.42Å; L526-Y528 PolarHBondContact O-N 3.47Å; Y528-E530 PolarHBondContact O-N 3.38Å; Y528-Y531 WeakPolarHBondContact O-CD2 3.2Å |
| 529 | C | 49.9 | Very low | 63.5 | Low | 18 Ų | 18 | 67.6 Ų | 67.6 | 12% | 0.122 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -77.7 | 2 | 176.3 | -77.3 | 0 | 0 | 0 | 0 | 115.1 | Y516 L526 Y531 L532 L559 | Y516-C529 WeakPolarHBondContact CE1-SG 3.31Å; L526-C529 WeakPolarHBondContact CD2-SG 2.85Å; L526-C529 WeakPolarHBondContact O-CB 3.32Å; L526-C529 PolarHBondContact O-N 3.45Å; C529-Y531 PolarHBondContact O-N 3.41Å; C529-L532 PolarHBondContact O-N 2.94Å; C529-L532 VanDerWaalsContact O-N 3.09Å; C529-L559 HydrophobicContact CB-CD2 3.36Å; C529-L559 WeakPolarHBondContact SG-CD2 3.34Å |
| 530 | E | 48.6 | Very low | 63.8 | Low | 150 Ų | 150 | 67.2 Ų | 67.2 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -54.1 | -18.9 | 173.1 | -72.3 | -174.2 | 162.7 | 0 | 0 | 112.7 | Y528 | Y528-E530 PolarHBondContact O-N 3.38Š|
| 531 | Y | 51.1 | Low | 64.4 | Low | 114 Ų | 114 | 67.1 Ų | 67.1 | 45% | 0.447 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -90.7 | -10.5 | -178.6 | -58.3 | -66.8 | 0 | 0 | 0 | 116.1 | N498 Y528 C529 S533 | N498-Y531 HydrophobicContact CB-CD1 4.44Å; N498-Y531 HydrophobicContact CB-CG 4.08Å; N498-Y531 VanDerWaalsContact CG-CB 3.48Å; N498-Y531 WeakPolarHBondContact ND2-CB 3.45Å; Y528-Y531 WeakPolarHBondContact O-CD2 3.2Å; C529-Y531 PolarHBondContact O-N 3.41Å; Y531-S533 PolarHBondContact O-N 3.32Å |
| 532 | L | 61.8 | Low | 64.8 | Low | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.089 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -85.7 | 108.6 | 177.3 | -169.1 | 76.6 | 0 | 0 | 0 | 109.4 | Y516 C529 L534 F536 L537 V555 L559 | Y516-L532 HydrophobicContact CD2-CD1 4.35Å; Y516-L532 HydrophobicContact CE2-CD1 3.81Å; C529-L532 PolarHBondContact O-N 2.94Å; C529-L532 VanDerWaalsContact O-N 3.09Å; L532-L534 PolarHBondContact O-N 3.23Å; L532-F536 HydrophobicContact CD1-CD1 3.57Å; L532-F536 HydrophobicContact CD1-CE1 3.67Å; L532-F536 HydrophobicContact CG-CD1 4.2Å; L532-L537 HydrophobicContact CD2-CD1 3.6Å; L532-V555 HydrophobicContact CD2-CG1 4.01Å; L532-L559 HydrophobicContact CD2-CD1 4.21Å |
| 533 | S | 67.3 | Low | 65 | Low | 60 Ų | 60 | 62.1 Ų | 62.1 | 42% | 0.42 | 34% | 0.344 | S | S | . | . | trans | -63.5 | 134.5 | 178.5 | 90 | 0 | 0 | 0 | 0 | 111 | Y531 N535 F536 L537 | Y531-S533 PolarHBondContact O-N 3.32Å; S533-N535 PolarHBondContact O-N 3.32Å; S533-F536 WeakPolarHBondContact O-CB 3.43Å; S533-F536 PolarHBondContact O-N 3.06Å; S533-F536 VanDerWaalsContact O-N 3.14Å; S533-F536 VanDerWaalsContact OG-CB 3.23Å; S533-F536 WeakPolarHBondContact OG-CB 3.43Å; S533-F536 PolarHBondContact OG-N 3.38Å; S533-L537 PolarHBondContact O-N 2.9Å | ||
| 534 | L | 70.4 | Confident | 65.5 | Low | 49 Ų | 49 | 69.8 Ų | 69.8 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.2 | -32.3 | 176 | -113.9 | 88 | 0 | 0 | 0 | 111.7 | L532 F536 L537 K538 E572 K573 L576 | L532-L534 PolarHBondContact O-N 3.23Å; L534-F536 VanDerWaalsContact C-N 3.34Å; L534-L537 PolarHBondContact O-N 3.25Å; L534-K538 WeakPolarHBondContact O-CB 3.27Å; L534-K538 PolarHBondContact O-N 3.4Å; L534-E572 HydrophobicContact CD2-CB 3.61Å; L534-K573 HydrophobicContact CD1-CG 4.07Å; L534-K573 HydrophobicContact CD2-CG 4.49Å; L534-L576 HydrophobicContact CD2-CD2 4.29Å; L534-L576 HydrophobicContact CG-CD2 4.26Å |
| 535 | N | 72.3 | Confident | 65.7 | Low | 131 Ų | 131 | 71 Ų | 71 | 70% | 0.701 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 176.6 | -71.2 | -23.4 | 0 | 0 | 0 | 111.9 | S533 K538 A539 | S533-N535 PolarHBondContact O-N 3.32Å; N535-K538 PolarHBondContact O-N 2.9Å; N535-A539 PolarHBondContact O-N 3.35Å |
| 536 | F | 74 | Confident | 66.5 | Low | 16 Ų | 16 | 67.9 Ų | 67.9 | 7% | 0.07 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.4 | -48 | 174.5 | 167.2 | -89.9 | 0 | 0 | 0 | 111.2 | M504 P509 L512 L513 L532 S533 L534 K538 A539 C540 | M504-F536 HydrophobicContact CE-CB 4.13Å; M504-F536 HydrophobicContact CE-CD2 3.41Å; M504-F536 VanDerWaalsContact CE-CD2 3.41Å; M504-F536 HydrophobicContact CE-CE2 4.09Å; M504-F536 HydrophobicContact CE-CG 3.98Å; M504-F536 HydrophobicContact SD-CD2 3.7Å; M504-F536 HydrophobicContact SD-CE2 3.93Å; P509-F536 VanDerWaalsContact CA-CZ 3.43Å; P509-F536 HydrophobicContact CB-CE2 3.47Å; P509-F536 VanDerWaalsContact CB-CE2 3.47Å; P509-F536 HydrophobicContact CB-CZ 3.56Å; P509-F536 HydrophobicContact CG-CE2 3.73Å; P509-F536 HydrophobicContact CG-CZ 4.33Å; L512-F536 HydrophobicContact CD1-CZ 4.46Å; L513-F536 HydrophobicContact CD1-CE1 4.43Å; L513-F536 HydrophobicContact CD1-CZ 4.47Å; L513-F536 HydrophobicContact CG-CE1 4.3Å; L532-F536 HydrophobicContact CD1-CD1 3.57Å; L532-F536 HydrophobicContact CD1-CE1 3.67Å; L532-F536 HydrophobicContact CG-CD1 4.2Å; S533-F536 WeakPolarHBondContact O-CB 3.43Å; S533-F536 PolarHBondContact O-N 3.06Å; S533-F536 VanDerWaalsContact O-N 3.14Å; S533-F536 VanDerWaalsContact OG-CB 3.23Å; S533-F536 WeakPolarHBondContact OG-CB 3.43Å; S533-F536 PolarHBondContact OG-N 3.38Å; L534-F536 VanDerWaalsContact C-N 3.34Å; F536-K538 VanDerWaalsContact C-N 3.27Å; F536-K538 PolarHBondContact O-N 2.92Å; F536-A539 WeakPolarHBondContact O-CB 3.26Å; F536-A539 PolarHBondContact O-N 3.02Å; F536-A539 VanDerWaalsContact O-N 3.12Å; F536-C540 PolarHBondContact O-N 3.18Å; F536-C540 PolarHBondContact O-SG 3.28Å; F536-C540 VanDerWaalsContact O-SG 3.33Å |
| 537 | L | 75.5 | Confident | 67.3 | Low | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 177.6 | -161.4 | 90.8 | 0 | 0 | 0 | 111.4 | L513 L532 S533 L534 C540 L541 V555 L556 L576 | L513-L537 HydrophobicContact CD2-CD1 4.3Å; L532-L537 HydrophobicContact CD2-CD1 3.6Å; S533-L537 PolarHBondContact O-N 2.9Å; L534-L537 PolarHBondContact O-N 3.25Å; L537-C540 PolarHBondContact O-N 3.34Å; L537-L541 HydrophobicContact CD2-CD1 4.17Å; L537-L541 HydrophobicContact CG-CD1 4.27Å; L537-L541 WeakPolarHBondContact O-CB 3.49Å; L537-L541 VanDerWaalsContact O-CG 3.27Å; L537-L541 WeakPolarHBondContact O-CG 3.43Å; L537-L541 PolarHBondContact O-N 3Å; L537-V555 HydrophobicContact CD1-CB 4.36Å; L537-V555 HydrophobicContact CD1-CG1 4.01Å; L537-L556 HydrophobicContact CD2-CB 3.84Å; L537-L556 HydrophobicContact CD2-CD1 3.71Å; L537-L556 HydrophobicContact CD2-CD2 4.46Å; L537-L556 HydrophobicContact CD2-CG 4.19Å; L537-L576 HydrophobicContact CB-CD2 4.29Å; L537-L576 HydrophobicContact CD2-CD2 3.61Å; L537-L576 HydrophobicContact CG-CD2 4.4Å |
| 538 | K | 79.7 | Confident | 68.3 | Low | 123 Ų | 123 | 71.1 Ų | 71.1 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 175 | -174.2 | 177.8 | 179.2 | -177.5 | 0 | 112.1 | L534 N535 F536 L541 G542 L576 | L534-K538 WeakPolarHBondContact O-CB 3.27Å; L534-K538 PolarHBondContact O-N 3.4Å; N535-K538 PolarHBondContact O-N 2.9Å; F536-K538 VanDerWaalsContact C-N 3.27Å; F536-K538 PolarHBondContact O-N 2.92Å; K538-L541 PolarHBondContact O-N 3.08Å; K538-G542 PolarHBondContact O-N 2.76Å; K538-G542 VanDerWaalsContact O-N 3.08Å; K538-L576 HydrophobicContact CB-CD1 3.66Å; K538-L576 HydrophobicContact CD-CD1 4.21Å; K538-L576 HydrophobicContact CG-CD1 3.7Å |
| 539 | A | 74.2 | Confident | 69.7 | Low | 68 Ų | 68 | 67.4 Ų | 67.4 | 56% | 0.562 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.3 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | N535 F536 L541 G542 S543 | N535-A539 PolarHBondContact O-N 3.35Å; F536-A539 WeakPolarHBondContact O-CB 3.26Å; F536-A539 PolarHBondContact O-N 3.02Å; F536-A539 VanDerWaalsContact O-N 3.12Å; A539-L541 PolarHBondContact O-N 2.75Å; A539-G542 CarbonylContact O-C 3.5Å; A539-G542 PolarHBondContact O-N 3.03Å; A539-G542 VanDerWaalsContact O-N 3.15Å; A539-S543 PolarHBondContact O-N 2.67Å; A539-S543 VanDerWaalsContact O-N 3.16Å |
| 540 | C | 78.7 | Confident | 71.1 | Confident | 6 Ų | 6 | 67.6 Ų | 67.6 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.7 | -38 | 177.6 | -60.7 | 0 | 0 | 0 | 0 | 113 | L513 F536 L537 G542 S543 L548 A552 | L513-C540 HydrophobicContact CD1-CB 3.73Å; L513-C540 VanDerWaalsContact CD1-SG 3.59Å; F536-C540 PolarHBondContact O-N 3.18Å; F536-C540 PolarHBondContact O-SG 3.28Å; F536-C540 VanDerWaalsContact O-SG 3.33Å; L537-C540 PolarHBondContact O-N 3.34Å; C540-G542 PolarHBondContact O-N 3.09Å; C540-S543 WeakPolarHBondContact O-CB 3.48Å; C540-S543 PolarHBondContact O-N 3.37Å; C540-L548 HydrophobicContact CB-CG 4.29Å; C540-A552 HydrophobicContact CB-CB 3.74Å |
| 541 | L | 79.2 | Confident | 72.6 | Confident | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.6 | -25.9 | 173.8 | -72.2 | 167.6 | 0 | 0 | 0 | 112.7 | L537 K538 A539 R549 A552 L553 L556 L576 Y580 | L537-L541 HydrophobicContact CD2-CD1 4.17Å; L537-L541 HydrophobicContact CG-CD1 4.27Å; L537-L541 WeakPolarHBondContact O-CB 3.49Å; L537-L541 VanDerWaalsContact O-CG 3.27Å; L537-L541 WeakPolarHBondContact O-CG 3.43Å; L537-L541 PolarHBondContact O-N 3Å; K538-L541 PolarHBondContact O-N 3.08Å; A539-L541 PolarHBondContact O-N 2.75Å; L541-R549 WeakPolarHBondContact O-CD 3.41Å; L541-R549 VanDerWaalsContact O-CG 3.3Å; L541-R549 WeakPolarHBondContact O-CG 3.47Å; L541-A552 HydrophobicContact CD2-CB 3.84Å; L541-A552 HydrophobicContact CG-CB 3.97Å; L541-L553 HydrophobicContact CD2-CB 4.2Å; L541-L556 HydrophobicContact CD1-CD2 3.97Å; L541-L576 HydrophobicContact CD1-CD1 4.18Å; L541-L576 HydrophobicContact CD1-CD2 4.07Å; L541-L576 HydrophobicContact CD1-CG 3.88Å; L541-Y580 HydrophobicContact CB-CD2 4Å; L541-Y580 HydrophobicContact CD2-CD2 3.8Å; L541-Y580 HydrophobicContact CD2-CE2 4.08Å; L541-Y580 HydrophobicContact CD2-CG 4.14Å; L541-Y580 HydrophobicContact CG-CD2 4.4Å |
| 542 | G | 76.6 | Confident | 74.1 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 62% | 0.619 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 0.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K538 A539 C540 | K538-G542 PolarHBondContact O-N 2.76Å; K538-G542 VanDerWaalsContact O-N 3.08Å; A539-G542 CarbonylContact O-C 3.5Å; A539-G542 PolarHBondContact O-N 3.03Å; A539-G542 VanDerWaalsContact O-N 3.15Å; C540-G542 PolarHBondContact O-N 3.09Å |
| 543 | S | 73.7 | Confident | 75.2 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 22% | 0.217 | 30% | 0.3 | C | S | . | . | trans | -69.2 | 146.3 | -177.4 | 177.4 | 0 | 0 | 0 | 0 | 112.4 | A539 C540 D545 R549 | A539-S543 PolarHBondContact O-N 2.67Å; A539-S543 VanDerWaalsContact O-N 3.16Å; C540-S543 WeakPolarHBondContact O-CB 3.48Å; C540-S543 PolarHBondContact O-N 3.37Å; S543-D545 PolarHBondContact O-N 3.09Å; S543-D545 PolarHBondContact OG-N 3.12Å; S543-D545 VanDerWaalsContact OG-N 3.11Å; S543-R549 PolarHBondContact O-NE 3.16Å; S543-R549 PolarHBondContact O-NH2 2.88Å | ||
| 544 | Y | 69.4 | Low | 76 | Confident | 222 Ų | 222 | 54.9 Ų | 54.9 | 87% | 0.871 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -68.1 | -17.9 | 170.7 | -68.3 | -77.5 | 0 | 0 | 0 | 113.4 | N546 R549 | Y544-N546 PolarHBondContact O-N 3.21Å; Y544-R549 PolarHBondContact O-NH2 3.17Å |
| 545 | D | 66.7 | Low | 76.5 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | trans | -78.2 | 111.3 | 174.7 | 178.3 | 9.5 | 0 | 0 | 0 | 111.7 | S543 Q547 L548 R549 | S543-D545 PolarHBondContact O-N 3.09Å; S543-D545 PolarHBondContact OG-N 3.12Å; S543-D545 VanDerWaalsContact OG-N 3.11Å; D545-Q547 VanDerWaalsContact C-N 3.27Å; D545-Q547 PolarHBondContact O-N 3.12Å; D545-Q547 PolarHBondContact OD1-N 3.3Å; D545-L548 HydrophobicContact CB-CB 4Å; D545-L548 PolarHBondContact O-N 3.44Å; D545-L548 WeakPolarHBondContact OD2-CB 3.25Å; D545-L548 PolarHBondContact OD2-N 3.16Å; D545-R549 WeakPolarHBondContact O-CB 3.11Å; D545-R549 PolarHBondContact O-N 3.09Å | ||
| 546 | N | 73 | Confident | 77.2 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.9 | -32.7 | 177.6 | -72.2 | -38.8 | 0 | 0 | 0 | 113.4 | Y544 L550 I592 | Y544-N546 PolarHBondContact O-N 3.21Å; N546-L550 WeakPolarHBondContact O-CB 3.3Å; N546-L550 WeakPolarHBondContact O-CG 3.2Å; N546-L550 PolarHBondContact O-N 3.28Å; N546-L550 VanDerWaalsContact O-N 3.12Å; N546-I592 HydrophobicContact CB-CD1 4.17Å |
| 547 | Q | 70.9 | Confident | 77.8 | Confident | 144 Ų | 144 | 46.3 Ų | 46.3 | 67% | 0.673 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -72.7 | -47.8 | 179.9 | -66.8 | -168.6 | 2.1 | 0 | 0 | 111.5 | D545 R549 L550 L551 | D545-Q547 VanDerWaalsContact C-N 3.27Å; D545-Q547 PolarHBondContact O-N 3.12Å; D545-Q547 PolarHBondContact OD1-N 3.3Å; Q547-R549 VanDerWaalsContact C-N 3.27Å; Q547-R549 PolarHBondContact O-N 3.49Å; Q547-L550 PolarHBondContact O-N 3.47Å; Q547-L551 WeakPolarHBondContact O-CG 3.41Å; Q547-L551 PolarHBondContact O-N 2.74Å |
| 548 | L | 72.2 | Confident | 77.9 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.7 | -44 | 174.8 | -174.4 | 64.1 | 0 | 0 | 0 | 111.4 | P509 T510 L513 C540 D545 L551 A552 | P509-L548 HydrophobicContact CB-CD1 4.36Å; T510-L548 HydrophobicContact CG2-CD1 4.43Å; L513-L548 HydrophobicContact CD1-CD1 3.43Å; L513-L548 VanDerWaalsContact CD1-CD1 3.43Å; L513-L548 HydrophobicContact CD1-CG 4.25Å; C540-L548 HydrophobicContact CB-CG 4.29Å; D545-L548 HydrophobicContact CB-CB 4Å; D545-L548 PolarHBondContact O-N 3.44Å; D545-L548 WeakPolarHBondContact OD2-CB 3.25Å; D545-L548 PolarHBondContact OD2-N 3.16Å; L548-L551 PolarHBondContact O-N 3.08Å; L548-A552 WeakPolarHBondContact O-CB 3.49Å; L548-A552 PolarHBondContact O-N 3.15Å |
| 549 | R | 79.3 | Confident | 77.8 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 13% | 0.125 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 179 | -157.3 | -176.3 | -52.4 | 159.2 | 6.5 | 112.6 | L541 S543 Y544 D545 Q547 A552 L553 Y580 D584 | L541-R549 WeakPolarHBondContact O-CD 3.41Å; L541-R549 VanDerWaalsContact O-CG 3.3Å; L541-R549 WeakPolarHBondContact O-CG 3.47Å; S543-R549 PolarHBondContact O-NE 3.16Å; S543-R549 PolarHBondContact O-NH2 2.88Å; Y544-R549 PolarHBondContact O-NH2 3.17Å; D545-R549 WeakPolarHBondContact O-CB 3.11Å; D545-R549 PolarHBondContact O-N 3.09Å; Q547-R549 VanDerWaalsContact C-N 3.27Å; Q547-R549 PolarHBondContact O-N 3.49Å; R549-A552 PolarHBondContact O-N 3.29Å; R549-L553 PolarHBondContact O-N 3.01Å; R549-Y580 HydrophobicContact CG-CE2 3.83Å; R549-D584 WeakPolarHBondContact CD-OD2 2.98Å; R549-D584 IonicContact CZ-OD1 3.94Å; R549-D584 IonicContact NE-OD2 3.31Å; R549-D584 VanDerWaalsContact NH1-CG 3.33Å; R549-D584 IonicContact NH1-OD1 3.38Å; R549-D584 PolarHBondContact NH1-OD1 2.75Å; R549-D584 IonicContact NH1-OD2 3.89Å; R549-D584 PolarHBondContact NH1-OD2 3.46Å |
| 550 | L | 79 | Confident | 78.2 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -38.5 | 178 | -75.5 | 174.2 | 0 | 0 | 0 | 112.7 | N546 Q547 L553 N554 I592 Q595 | N546-L550 WeakPolarHBondContact O-CB 3.3Å; N546-L550 WeakPolarHBondContact O-CG 3.2Å; N546-L550 PolarHBondContact O-N 3.28Å; N546-L550 VanDerWaalsContact O-N 3.12Å; Q547-L550 PolarHBondContact O-N 3.47Å; L550-L553 PolarHBondContact O-N 3.46Å; L550-N554 VanDerWaalsContact O-CG 3.27Å; L550-N554 PolarHBondContact O-N 2.94Å; L550-N554 PolarHBondContact O-ND2 2.81Å; L550-N554 VanDerWaalsContact O-ND2 3.11Å; L550-I592 HydrophobicContact CD1-CG1 3.85Å; L550-I592 HydrophobicContact CD2-CB 4.36Å; L550-I592 HydrophobicContact CD2-CG1 4.06Å; L550-I592 HydrophobicContact CD2-CG2 4.07Å; L550-I592 HydrophobicContact CG-CG1 4.2Å; L550-Q595 HydrophobicContact CD2-CB 4.15Å |
| 551 | L | 78.9 | Confident | 78.3 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 17% | 0.168 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -45.3 | 173.3 | -76.7 | 165.8 | 0 | 0 | 0 | 110.7 | L513 H517 Q547 L548 L553 N554 V555 | L513-L551 HydrophobicContact CB-CB 4.26Å; H517-L551 HydrophobicContact CB-CD2 3.91Å; Q547-L551 WeakPolarHBondContact O-CG 3.41Å; Q547-L551 PolarHBondContact O-N 2.74Å; L548-L551 PolarHBondContact O-N 3.08Å; L551-L553 VanDerWaalsContact C-N 3.35Å; L551-L553 PolarHBondContact O-N 3.14Å; L551-N554 PolarHBondContact O-N 3.45Å; L551-V555 WeakPolarHBondContact O-CG2 3.27Å; L551-V555 PolarHBondContact O-N 3Å |
| 552 | A | 82.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L513 C540 L541 L548 R549 V555 L556 | L513-A552 HydrophobicContact CD1-CB 4.1Å; L513-A552 HydrophobicContact CD2-CB 4.01Å; C540-A552 HydrophobicContact CB-CB 3.74Å; L541-A552 HydrophobicContact CD2-CB 3.84Å; L541-A552 HydrophobicContact CG-CB 3.97Å; L548-A552 WeakPolarHBondContact O-CB 3.49Å; L548-A552 PolarHBondContact O-N 3.15Å; R549-A552 PolarHBondContact O-N 3.29Å; A552-V555 PolarHBondContact O-N 3.24Å; A552-L556 WeakPolarHBondContact O-CB 3.41Å; A552-L556 PolarHBondContact O-N 3.47Å |
| 553 | L | 87 | Confident | 77.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 174.4 | 179.4 | 62.3 | 0 | 0 | 0 | 111.9 | L541 R549 L550 L551 V555 L556 V557 F577 Y580 I596 A599 | L541-L553 HydrophobicContact CD2-CB 4.2Å; R549-L553 PolarHBondContact O-N 3.01Å; L550-L553 PolarHBondContact O-N 3.46Å; L551-L553 VanDerWaalsContact C-N 3.35Å; L551-L553 PolarHBondContact O-N 3.14Å; L553-V555 VanDerWaalsContact C-N 3.29Å; L553-V555 PolarHBondContact O-N 2.71Å; L553-L556 WeakPolarHBondContact O-CB 3.2Å; L553-L556 PolarHBondContact O-N 2.87Å; L553-V557 HydrophobicContact CD1-CG2 4.4Å; L553-V557 VanDerWaalsContact O-CG2 3.31Å; L553-V557 WeakPolarHBondContact O-CG2 3.36Å; L553-V557 PolarHBondContact O-N 2.83Å; L553-F577 HydrophobicContact CD1-CD2 4.09Å; L553-F577 HydrophobicContact CD1-CE2 4.01Å; L553-Y580 HydrophobicContact CD1-CD1 3.93Å; L553-Y580 HydrophobicContact CD1-CE1 3.74Å; L553-Y580 HydrophobicContact CD2-CE1 3.85Å; L553-Y580 HydrophobicContact CG-CE1 4.28Å; L553-I596 HydrophobicContact CD2-CG1 4.03Å; L553-A599 HydrophobicContact CD1-CB 4.03Å; L553-A599 HydrophobicContact CD2-CB 4.13Å; L553-A599 HydrophobicContact CG-CB 4.12Å |
| 554 | N | 83.3 | Confident | 76.5 | Confident | 42 Ų | 42 | 47 Ų | 47 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 178.2 | -70.3 | -35.2 | 0 | 0 | 0 | 112 | L550 L551 S558 | L550-N554 VanDerWaalsContact O-CG 3.27Å; L550-N554 PolarHBondContact O-N 2.94Å; L550-N554 PolarHBondContact O-ND2 2.81Å; L550-N554 VanDerWaalsContact O-ND2 3.11Å; L551-N554 PolarHBondContact O-N 3.45Å; N554-S558 WeakPolarHBondContact O-CB 3.21Å; N554-S558 PolarHBondContact O-N 3.29Å; N554-S558 VanDerWaalsContact O-N 3.07Å |
| 555 | V | 81.2 | Confident | 75.6 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.5 | -46 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | L513 L532 L537 L551 A552 L553 V557 S558 L559 | L513-V555 HydrophobicContact CD2-CB 4.07Å; L513-V555 HydrophobicContact CD2-CG1 4.47Å; L513-V555 HydrophobicContact CD2-CG2 3.79Å; L532-V555 HydrophobicContact CD2-CG1 4.01Å; L537-V555 HydrophobicContact CD1-CB 4.36Å; L537-V555 HydrophobicContact CD1-CG1 4.01Å; L551-V555 WeakPolarHBondContact O-CG2 3.27Å; L551-V555 PolarHBondContact O-N 3Å; A552-V555 PolarHBondContact O-N 3.24Å; L553-V555 VanDerWaalsContact C-N 3.29Å; L553-V555 PolarHBondContact O-N 2.71Å; V555-V557 PolarHBondContact O-N 3.18Å; V555-S558 PolarHBondContact O-N 3.16Å; V555-S558 VanDerWaalsContact O-N 3.16Å; V555-L559 HydrophobicContact CG1-CD1 4.03Å; V555-L559 HydrophobicContact CG1-CG 4.29Å; V555-L559 VanDerWaalsContact O-CG 3.31Å; V555-L559 WeakPolarHBondContact O-CG 3.34Å; V555-L559 PolarHBondContact O-N 3.31Å |
| 556 | L | 85.5 | Confident | 74.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -47.6 | 175.7 | -177.4 | 56 | 0 | 0 | 0 | 112.4 | L537 L541 A552 L553 S558 L559 I560 K573 L576 F577 | L537-L556 HydrophobicContact CD2-CB 3.84Å; L537-L556 HydrophobicContact CD2-CD1 3.71Å; L537-L556 HydrophobicContact CD2-CD2 4.46Å; L537-L556 HydrophobicContact CD2-CG 4.19Å; L541-L556 HydrophobicContact CD1-CD2 3.97Å; A552-L556 WeakPolarHBondContact O-CB 3.41Å; A552-L556 PolarHBondContact O-N 3.47Å; L553-L556 WeakPolarHBondContact O-CB 3.2Å; L553-L556 PolarHBondContact O-N 2.87Å; L556-S558 VanDerWaalsContact C-N 3.3Å; L556-S558 PolarHBondContact O-N 3.37Å; L556-L559 WeakPolarHBondContact O-CB 3.44Å; L556-L559 PolarHBondContact O-N 3.1Å; L556-L559 VanDerWaalsContact O-N 3.17Å; L556-I560 HydrophobicContact CD1-CD1 3.96Å; L556-I560 HydrophobicContact CD1-CG1 4.34Å; L556-I560 HydrophobicContact CG-CD1 4Å; L556-I560 WeakPolarHBondContact O-CG1 3.44Å; L556-I560 PolarHBondContact O-N 3.18Å; L556-K573 HydrophobicContact CD1-CB 4.4Å; L556-L576 HydrophobicContact CD1-CD2 4.4Å; L556-L576 HydrophobicContact CD2-CG 4.4Å; L556-F577 HydrophobicContact CD2-CB 3.89Å; L556-F577 HydrophobicContact CD2-CD2 4.36Å |
| 557 | V | 87.2 | Confident | 73.4 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 177 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | L553 V555 L559 I560 T561 A599 D602 I603 | L553-V557 HydrophobicContact CD1-CG2 4.4Å; L553-V557 VanDerWaalsContact O-CG2 3.31Å; L553-V557 WeakPolarHBondContact O-CG2 3.36Å; L553-V557 PolarHBondContact O-N 2.83Å; V555-V557 PolarHBondContact O-N 3.18Å; V557-L559 VanDerWaalsContact C-N 3.34Å; V557-L559 PolarHBondContact O-N 3.46Å; V557-I560 PolarHBondContact O-N 3.35Å; V557-T561 HydrophobicContact CG1-CG2 4.28Å; V557-T561 WeakPolarHBondContact O-CB 3.3Å; V557-T561 WeakPolarHBondContact O-CG2 3.5Å; V557-T561 PolarHBondContact O-N 3.15Å; V557-T561 PolarHBondContact O-OG1 3.22Å; V557-A599 HydrophobicContact CG2-CB 3.34Å; V557-D602 HydrophobicContact CG1-CB 3.91Å; V557-I603 HydrophobicContact CG2-CD1 4Å; V557-I603 HydrophobicContact CG2-CG1 4.36Å |
| 558 | S | 78.8 | Confident | 72.4 | Confident | 7 Ų | 7 | 50 Ų | 50 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -35.5 | 178.2 | -163.1 | 0 | 0 | 0 | 0 | 112.5 | L526 N554 V555 L556 I560 K562 | L526-S558 WeakPolarHBondContact CD1-OG 3.46Å; N554-S558 WeakPolarHBondContact O-CB 3.21Å; N554-S558 PolarHBondContact O-N 3.29Å; N554-S558 VanDerWaalsContact O-N 3.07Å; V555-S558 PolarHBondContact O-N 3.16Å; V555-S558 VanDerWaalsContact O-N 3.16Å; L556-S558 VanDerWaalsContact C-N 3.3Å; L556-S558 PolarHBondContact O-N 3.37Å; S558-I560 VanDerWaalsContact C-N 3.35Å; S558-K562 VanDerWaalsContact O-CB 3.31Å; S558-K562 WeakPolarHBondContact O-CB 3.35Å; S558-K562 PolarHBondContact O-N 3.16Å; S558-K562 WeakPolarHBondContact OG-CD 3.38Å |
| 559 | L | 77.6 | Confident | 71.4 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66 | -36.4 | 176.2 | -74.5 | 172.1 | 0 | 0 | 0 | 112.5 | C529 L532 V555 L556 V557 | C529-L559 HydrophobicContact CB-CD2 3.36Å; C529-L559 WeakPolarHBondContact SG-CD2 3.34Å; L532-L559 HydrophobicContact CD2-CD1 4.21Å; V555-L559 HydrophobicContact CG1-CD1 4.03Å; V555-L559 HydrophobicContact CG1-CG 4.29Å; V555-L559 VanDerWaalsContact O-CG 3.31Å; V555-L559 WeakPolarHBondContact O-CG 3.34Å; V555-L559 PolarHBondContact O-N 3.31Å; L556-L559 WeakPolarHBondContact O-CB 3.44Å; L556-L559 PolarHBondContact O-N 3.1Å; L556-L559 VanDerWaalsContact O-N 3.17Å; V557-L559 VanDerWaalsContact C-N 3.34Å; V557-L559 PolarHBondContact O-N 3.46Å |
| 560 | I | 81.3 | Confident | 70.5 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.2 | -49.9 | 177 | -65.7 | 164.2 | 0 | 0 | 0 | 109.9 | L556 V557 S558 K573 L574 I603 H606 | L556-I560 HydrophobicContact CD1-CD1 3.96Å; L556-I560 HydrophobicContact CD1-CG1 4.34Å; L556-I560 HydrophobicContact CG-CD1 4Å; L556-I560 WeakPolarHBondContact O-CG1 3.44Å; L556-I560 PolarHBondContact O-N 3.18Å; V557-I560 PolarHBondContact O-N 3.35Å; S558-I560 VanDerWaalsContact C-N 3.35Å; I560-K573 HydrophobicContact CG1-CB 4.14Å; I560-L574 HydrophobicContact CD1-CD2 4.27Å; I560-L574 HydrophobicContact CG2-CD2 4.24Å; I560-I603 HydrophobicContact CB-CG1 4.36Å; I560-I603 HydrophobicContact CD1-CD1 3.62Å; I560-I603 HydrophobicContact CD1-CG1 3.95Å; I560-I603 HydrophobicContact CD1-CG2 4.49Å; I560-I603 HydrophobicContact CG2-CG1 4.21Å; I560-I603 HydrophobicContact CG2-CG2 4.18Å; I560-H606 PolarHBondContact O-NE2 3.43Å |
| 561 | T | 80.9 | Confident | 70.2 | Confident | 38 Ų | 38 | 54.1 Ų | 54.1 | 23% | 0.233 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -84.2 | -24.2 | -167.5 | 58 | 0 | 0 | 0 | 0 | 115.2 | V557 D602 H606 | V557-T561 HydrophobicContact CG1-CG2 4.28Å; V557-T561 WeakPolarHBondContact O-CB 3.3Å; V557-T561 WeakPolarHBondContact O-CG2 3.5Å; V557-T561 PolarHBondContact O-N 3.15Å; V557-T561 PolarHBondContact O-OG1 3.22Å; T561-D602 HydrophobicContact CG2-CB 4.26Å; T561-D602 WeakPolarHBondContact CG2-O 3.08Å; T561-H606 HydrophobicContact CG2-CB 4.01Å |
| 562 | K | 74.4 | Confident | 70.3 | Confident | 96 Ų | 96 | 59 Ų | 59 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -110.1 | 4.1 | -174.7 | -59 | -170 | -176.8 | 169.3 | 0 | 115.4 | S520 L526 S558 | S520-K562 PolarHBondContact O-NZ 3.1Å; L526-K562 HydrophobicContact CD1-CB 4.48Å; L526-K562 HydrophobicContact CD1-CD 4.2Å; S558-K562 VanDerWaalsContact O-CB 3.31Å; S558-K562 WeakPolarHBondContact O-CB 3.35Å; S558-K562 PolarHBondContact O-N 3.16Å; S558-K562 WeakPolarHBondContact OG-CD 3.38Å |
| 563 | S | 65.2 | Low | 70.4 | Confident | 53 Ų | 53 | 61.1 Ų | 61.1 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | trans | -69.2 | 133 | -179.2 | 74.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 564 | E | 53.1 | Low | 70.5 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | trans | -83.1 | -11.6 | 171.7 | -80.3 | -175.9 | 170.2 | 0 | 0 | 112.8 | K525 N527 K566 | K525-E564 WeakPolarHBondContact CE-OE1 3.44Å; K525-E564 IonicContact NZ-OE1 3.86Å; K525-E564 PolarHBondContact NZ-OE1 2.98Å; N527-E564 PolarHBondContact ND2-OE2 2.6Å; E564-K566 WeakPolarHBondContact O-CA 3.37Å; E564-K566 PolarHBondContact O-N 2.69Å | ||
| 565 | Q | 50.2 | Low | 70.8 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | trans | -57.3 | 102.1 | 175.4 | -87.6 | -173.1 | -8.8 | 0 | 0 | 108.5 | M567 | Q565-M567 PolarHBondContact O-N 3.34Š| ||
| 566 | K | 46.8 | Very low | 71.1 | Confident | 203 Ų | 203 | 62.2 Ų | 62.2 | 88% | 0.883 | 31% | 0.308 | S | S | * | . | trans | -73.3 | 2.1 | -152.2 | -125.3 | -179.2 | -176.3 | -177.1 | 0 | 115.3 | E564 | E564-K566 WeakPolarHBondContact O-CA 3.37Å; E564-K566 PolarHBondContact O-N 2.69Å | ||
| 567 | M | 47.1 | Very low | 71.4 | Confident | 120 Ų | 120 | 62.1 Ų | 62.1 | 59% | 0.591 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -164.1 | -5.6 | -166.2 | -119.8 | 166.8 | 157.6 | 0 | 0 | 118.4 | Q565 E614 | Q565-M567 PolarHBondContact O-N 3.34Å; M567-E614 WeakPolarHBondContact CE-OE1 3.39Å |
| 568 | I | 48.3 | Very low | 71.6 | Confident | 134 Ų | 134 | 61.6 Ų | 61.6 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | trans | -120.5 | 88.2 | 176 | -49.4 | 173.6 | 0 | 0 | 0 | 106.4 | S570 | I568-S570 PolarHBondContact O-N 3.31Š| ||
| 569 | L | 52.8 | Low | 72 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 25% | 0.246 | 32% | 0.315 | C | S | . | . | trans | -57.7 | 97.6 | 160.1 | -144.8 | 108.7 | 0 | 0 | 0 | 105.1 | N571 L574 T607 I610 | L569-N571 PolarHBondContact O-N 3.4Å; L569-L574 HydrophobicContact CD2-CD1 3.06Å; L569-L574 HydrophobicContact CD2-CD2 3.97Å; L569-L574 HydrophobicContact CD2-CG 3.46Å; L569-L574 VanDerWaalsContact CD2-CG 3.46Å; L569-L574 HydrophobicContact CG-CD1 4.45Å; L569-T607 HydrophobicContact CD1-CG2 4.48Å; L569-T607 HydrophobicContact CD2-CG2 4.12Å; L569-I610 HydrophobicContact CD1-CD1 3.34Å | ||
| 570 | S | 60.3 | Low | 72.5 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | trans | -62.7 | 107.4 | -175.5 | 58.9 | 0 | 0 | 0 | 0 | 106.6 | I568 E572 K573 | I568-S570 PolarHBondContact O-N 3.31Å; S570-E572 PolarHBondContact O-N 2.84Å; S570-K573 PolarHBondContact O-N 2.94Å; S570-K573 WeakPolarHBondContact OG-CD 3.3Å; S570-K573 WeakPolarHBondContact OG-CE 3.5Å; S570-K573 VanDerWaalsContact OG-CG 3.29Å; S570-K573 WeakPolarHBondContact OG-CG 3.48Å | ||
| 571 | N | 72.5 | Confident | 72.8 | Confident | 76 Ų | 76 | 63.2 Ų | 63.2 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -46.8 | -30.3 | -177.9 | -90.2 | -31.8 | 0 | 0 | 0 | 112.2 | L569 K573 L574 E575 D622 | L569-N571 PolarHBondContact O-N 3.4Å; N571-K573 PolarHBondContact O-N 3.03Å; N571-L574 PolarHBondContact O-N 3.46Å; N571-E575 WeakPolarHBondContact O-CB 3.4Å; N571-E575 PolarHBondContact O-N 3.4Å; N571-D622 VanDerWaalsContact ND2-CG 3.35Å; N571-D622 PolarHBondContact ND2-OD2 3.26Å |
| 572 | E | 81.4 | Confident | 73 | Confident | 135 Ų | 135 | 66.3 Ų | 66.3 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.7 | -40.9 | 175.1 | -55.7 | -176.1 | 167 | 0 | 0 | 114.6 | L534 S570 E575 L576 | L534-E572 HydrophobicContact CD2-CB 3.61Å; S570-E572 PolarHBondContact O-N 2.84Å; E572-E575 PolarHBondContact O-N 3.5Å; E572-L576 VanDerWaalsContact O-CB 3.29Å; E572-L576 WeakPolarHBondContact O-CB 3.32Å; E572-L576 PolarHBondContact O-N 3.5Å |
| 573 | K | 84.2 | Confident | 73 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.9 | -40.2 | -179.5 | -71.9 | 174.2 | -170.1 | 162.8 | 0 | 111.7 | L534 L556 I560 S570 N571 L576 F577 | L534-K573 HydrophobicContact CD1-CG 4.07Å; L534-K573 HydrophobicContact CD2-CG 4.49Å; L556-K573 HydrophobicContact CD1-CB 4.4Å; I560-K573 HydrophobicContact CG1-CB 4.14Å; S570-K573 PolarHBondContact O-N 2.94Å; S570-K573 WeakPolarHBondContact OG-CD 3.3Å; S570-K573 WeakPolarHBondContact OG-CE 3.5Å; S570-K573 VanDerWaalsContact OG-CG 3.29Å; S570-K573 WeakPolarHBondContact OG-CG 3.48Å; N571-K573 PolarHBondContact O-N 3.03Å; K573-L576 PolarHBondContact O-N 3.07Å; K573-F577 PolarHBondContact O-N 3.29Å |
| 574 | L | 87.9 | Confident | 73.1 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 172.9 | -75.5 | -169.8 | 0 | 0 | 0 | 111.3 | I560 L569 N571 L576 F577 L578 I603 T607 F626 | I560-L574 HydrophobicContact CD1-CD2 4.27Å; I560-L574 HydrophobicContact CG2-CD2 4.24Å; L569-L574 HydrophobicContact CD2-CD1 3.06Å; L569-L574 HydrophobicContact CD2-CD2 3.97Å; L569-L574 HydrophobicContact CD2-CG 3.46Å; L569-L574 VanDerWaalsContact CD2-CG 3.46Å; L569-L574 HydrophobicContact CG-CD1 4.45Å; N571-L574 PolarHBondContact O-N 3.46Å; L574-L576 PolarHBondContact O-N 3.36Å; L574-F577 WeakPolarHBondContact O-CB 3.42Å; L574-F577 PolarHBondContact O-N 3.35Å; L574-F577 VanDerWaalsContact O-N 3.1Å; L574-L578 WeakPolarHBondContact O-CG 3.33Å; L574-L578 PolarHBondContact O-N 3.16Å; L574-I603 HydrophobicContact CD2-CG2 3.96Å; L574-T607 HydrophobicContact CD2-CG2 4.21Å; L574-F626 HydrophobicContact CB-CD2 3.77Å; L574-F626 HydrophobicContact CB-CE2 3.99Å; L574-F626 HydrophobicContact CB-CG 4.47Å; L574-F626 HydrophobicContact CD1-CB 3.78Å; L574-F626 HydrophobicContact CD1-CD1 4Å; L574-F626 HydrophobicContact CD1-CD2 3.67Å; L574-F626 HydrophobicContact CD1-CE2 4.24Å; L574-F626 HydrophobicContact CD1-CG 3.53Å; L574-F626 HydrophobicContact CD2-CD1 4.46Å; L574-F626 HydrophobicContact CD2-CD2 4.09Å; L574-F626 HydrophobicContact CD2-CE1 4.19Å; L574-F626 HydrophobicContact CD2-CE2 3.78Å; L574-F626 HydrophobicContact CD2-CG 4.42Å; L574-F626 HydrophobicContact CD2-CZ 3.85Å; L574-F626 HydrophobicContact CG-CD2 4.07Å; L574-F626 HydrophobicContact CG-CE2 4.23Å; L574-F626 HydrophobicContact CG-CG 4.38Å |
| 575 | E | 89.2 | Confident | 73.3 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 178.9 | -163.8 | 66.3 | -135.7 | 0 | 0 | 111.1 | N571 E572 L578 N579 R582 K629 | N571-E575 WeakPolarHBondContact O-CB 3.4Å; N571-E575 PolarHBondContact O-N 3.4Å; E572-E575 PolarHBondContact O-N 3.5Å; E575-L578 PolarHBondContact O-N 2.67Å; E575-N579 WeakPolarHBondContact O-CB 3.43Å; E575-N579 PolarHBondContact O-N 2.92Å; E575-N579 PolarHBondContact O-ND2 3.41Å; E575-N579 VanDerWaalsContact O-ND2 3.12Å; E575-R582 IonicContact OE1-CZ 2.72Å; E575-R582 IonicContact OE1-NH1 2.74Å; E575-R582 PolarHBondContact OE1-NH1 2.66Å; E575-R582 IonicContact OE1-NH2 3.18Å; E575-K629 IonicContact OE2-NZ 2.73Å; E575-K629 PolarHBondContact OE2-NZ 3.44Å |
| 576 | L | 87.8 | Confident | 73.9 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 170.9 | -175 | 59.2 | 0 | 0 | 0 | 112.2 | L534 L537 K538 L541 L556 E572 K573 L574 N579 Y580 | L534-L576 HydrophobicContact CD2-CD2 4.29Å; L534-L576 HydrophobicContact CG-CD2 4.26Å; L537-L576 HydrophobicContact CB-CD2 4.29Å; L537-L576 HydrophobicContact CD2-CD2 3.61Å; L537-L576 HydrophobicContact CG-CD2 4.4Å; K538-L576 HydrophobicContact CB-CD1 3.66Å; K538-L576 HydrophobicContact CD-CD1 4.21Å; K538-L576 HydrophobicContact CG-CD1 3.7Å; L541-L576 HydrophobicContact CD1-CD1 4.18Å; L541-L576 HydrophobicContact CD1-CD2 4.07Å; L541-L576 HydrophobicContact CD1-CG 3.88Å; L556-L576 HydrophobicContact CD1-CD2 4.4Å; L556-L576 HydrophobicContact CD2-CG 4.4Å; E572-L576 VanDerWaalsContact O-CB 3.29Å; E572-L576 WeakPolarHBondContact O-CB 3.32Å; E572-L576 PolarHBondContact O-N 3.5Å; K573-L576 PolarHBondContact O-N 3.07Å; L574-L576 PolarHBondContact O-N 3.36Å; L576-N579 PolarHBondContact O-N 3.16Å; L576-Y580 WeakPolarHBondContact O-CB 3.25Å; L576-Y580 PolarHBondContact O-N 3.08Å |
| 577 | F | 91.9 | Very high | 74.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 173.1 | 177.8 | -112 | 0 | 0 | 0 | 112 | L553 L556 K573 L574 N579 Y580 L581 A599 I603 F626 L630 | L553-F577 HydrophobicContact CD1-CD2 4.09Å; L553-F577 HydrophobicContact CD1-CE2 4.01Å; L556-F577 HydrophobicContact CD2-CB 3.89Å; L556-F577 HydrophobicContact CD2-CD2 4.36Å; K573-F577 PolarHBondContact O-N 3.29Å; L574-F577 WeakPolarHBondContact O-CB 3.42Å; L574-F577 PolarHBondContact O-N 3.35Å; L574-F577 VanDerWaalsContact O-N 3.1Å; F577-N579 PolarHBondContact O-N 3.24Å; F577-Y580 WeakPolarHBondContact O-CB 3.38Å; F577-Y580 PolarHBondContact O-N 2.6Å; F577-L581 HydrophobicContact CD1-CD1 4.16Å; F577-L581 HydrophobicContact CE1-CD1 3.55Å; F577-L581 HydrophobicContact CE1-CG 4.25Å; F577-L581 HydrophobicContact CE2-CD1 4.34Å; F577-L581 HydrophobicContact CE2-CD2 4.35Å; F577-L581 HydrophobicContact CE2-CG 4.21Å; F577-L581 HydrophobicContact CZ-CD1 3.65Å; F577-L581 HydrophobicContact CZ-CD2 4.21Å; F577-L581 HydrophobicContact CZ-CG 4.01Å; F577-L581 WeakPolarHBondContact O-CG 3.43Å; F577-L581 PolarHBondContact O-N 2.7Å; F577-A599 HydrophobicContact CE2-CB 4.21Å; F577-I603 HydrophobicContact CB-CD1 4.39Å; F577-I603 HydrophobicContact CD1-CD1 3.88Å; F577-I603 HydrophobicContact CD2-CD1 3.69Å; F577-I603 HydrophobicContact CE1-CD1 4Å; F577-I603 HydrophobicContact CE2-CD1 3.83Å; F577-I603 HydrophobicContact CG-CD1 3.71Å; F577-I603 HydrophobicContact CZ-CD1 3.98Å; F577-F626 HydrophobicContact CD1-CE2 4.28Å; F577-F626 HydrophobicContact CD1-CZ 4.25Å; F577-L630 HydrophobicContact CE1-CD1 4.05Å |
| 578 | L | 92.4 | Very high | 75.4 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 176 | -65.7 | 177.7 | 0 | 0 | 0 | 111.9 | L574 E575 L581 R582 F626 K629 L630 I633 | L574-L578 WeakPolarHBondContact O-CG 3.33Å; L574-L578 PolarHBondContact O-N 3.16Å; E575-L578 PolarHBondContact O-N 2.67Å; L578-L581 PolarHBondContact O-N 3.41Å; L578-R582 WeakPolarHBondContact O-CG 3.4Å; L578-R582 PolarHBondContact O-N 3.38Å; L578-F626 HydrophobicContact CD1-CD2 3.8Å; L578-F626 HydrophobicContact CD1-CE2 4.23Å; L578-F626 HydrophobicContact CD2-CD2 3.94Å; L578-F626 HydrophobicContact CD2-CE2 3.64Å; L578-F626 HydrophobicContact CG-CD2 3.89Å; L578-F626 HydrophobicContact CG-CE2 3.79Å; L578-K629 HydrophobicContact CD1-CB 3.72Å; L578-K629 HydrophobicContact CD1-CD 3.74Å; L578-K629 HydrophobicContact CD1-CG 4.41Å; L578-K629 HydrophobicContact CD2-CB 4.41Å; L578-L630 HydrophobicContact CD2-CB 3.9Å; L578-L630 HydrophobicContact CD2-CD1 4.23Å; L578-I633 HydrophobicContact CB-CD1 3.91Å; L578-I633 HydrophobicContact CD2-CD1 3.78Å; L578-I633 HydrophobicContact CG-CD1 4.38Å |
| 579 | N | 87.8 | Confident | 76.4 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.1 | -73.6 | -30.7 | 0 | 0 | 0 | 111.8 | E575 L576 F577 L581 R582 H583 | E575-N579 WeakPolarHBondContact O-CB 3.43Å; E575-N579 PolarHBondContact O-N 2.92Å; E575-N579 PolarHBondContact O-ND2 3.41Å; E575-N579 VanDerWaalsContact O-ND2 3.12Å; L576-N579 PolarHBondContact O-N 3.16Å; F577-N579 PolarHBondContact O-N 3.24Å; N579-L581 VanDerWaalsContact C-N 3.35Å; N579-L581 PolarHBondContact O-N 2.98Å; N579-R582 PolarHBondContact O-N 3.42Å; N579-R582 PolarHBondContact OD1-NH1 3.14Å; N579-H583 PolarHBondContact O-CD2 3.39Å; N579-H583 PolarHBondContact O-N 3.1Å |
| 580 | Y | 87.7 | Confident | 77.2 | Confident | 11 Ų | 11 | 60 Ų | 60 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 173 | 170.9 | -106.8 | 0 | 0 | 0 | 111.4 | L541 R549 L553 L576 F577 R582 H583 D584 I596 | L541-Y580 HydrophobicContact CB-CD2 4Å; L541-Y580 HydrophobicContact CD2-CD2 3.8Å; L541-Y580 HydrophobicContact CD2-CE2 4.08Å; L541-Y580 HydrophobicContact CD2-CG 4.14Å; L541-Y580 HydrophobicContact CG-CD2 4.4Å; R549-Y580 HydrophobicContact CG-CE2 3.83Å; L553-Y580 HydrophobicContact CD1-CD1 3.93Å; L553-Y580 HydrophobicContact CD1-CE1 3.74Å; L553-Y580 HydrophobicContact CD2-CE1 3.85Å; L553-Y580 HydrophobicContact CG-CE1 4.28Å; L576-Y580 WeakPolarHBondContact O-CB 3.25Å; L576-Y580 PolarHBondContact O-N 3.08Å; F577-Y580 WeakPolarHBondContact O-CB 3.38Å; F577-Y580 PolarHBondContact O-N 2.6Å; Y580-R582 PolarHBondContact O-N 3.44Å; Y580-H583 PolarHBondContact O-N 2.84Å; Y580-D584 HydrophobicContact CD2-CB 4.09Å; Y580-D584 HydrophobicContact CE2-CB 3.62Å; Y580-D584 WeakPolarHBondContact CE2-OD2 3.48Å; Y580-D584 WeakPolarHBondContact O-CB 3.28Å; Y580-D584 PolarHBondContact O-N 3.1Å; Y580-D584 PolarHBondContact OH-OD2 2.82Å; Y580-I596 HydrophobicContact CE1-CD1 4.5Å; Y580-I596 HydrophobicContact CE1-CG1 4.32Å |
| 581 | L | 87.3 | Confident | 77.8 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 175 | -69.4 | 179.3 | 0 | 0 | 0 | 112.1 | F577 L578 N579 H583 L585 I596 L630 I633 | F577-L581 HydrophobicContact CD1-CD1 4.16Å; F577-L581 HydrophobicContact CE1-CD1 3.55Å; F577-L581 HydrophobicContact CE1-CG 4.25Å; F577-L581 HydrophobicContact CE2-CD1 4.34Å; F577-L581 HydrophobicContact CE2-CD2 4.35Å; F577-L581 HydrophobicContact CE2-CG 4.21Å; F577-L581 HydrophobicContact CZ-CD1 3.65Å; F577-L581 HydrophobicContact CZ-CD2 4.21Å; F577-L581 HydrophobicContact CZ-CG 4.01Å; F577-L581 WeakPolarHBondContact O-CG 3.43Å; F577-L581 PolarHBondContact O-N 2.7Å; L578-L581 PolarHBondContact O-N 3.41Å; N579-L581 VanDerWaalsContact C-N 3.35Å; N579-L581 PolarHBondContact O-N 2.98Å; L581-H583 PolarHBondContact O-N 2.82Å; L581-L585 WeakPolarHBondContact O-CD1 3.2Å; L581-L585 WeakPolarHBondContact O-CG 3.5Å; L581-I596 HydrophobicContact CD2-CG2 3.53Å; L581-L630 HydrophobicContact CD1-CD1 3.42Å; L581-L630 VanDerWaalsContact CD1-CD1 3.42Å; L581-I633 HydrophobicContact CB-CG2 4.07Å |
| 582 | R | 84.7 | Confident | 78 | Confident | 104 Ų | 104 | 64 Ų | 64 | 39% | 0.392 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.5 | -34.4 | 179.2 | -74 | 172.8 | -175.4 | 129.9 | 1.9 | 113.2 | E575 L578 N579 Y580 I633 | E575-R582 IonicContact OE1-CZ 2.72Å; E575-R582 IonicContact OE1-NH1 2.74Å; E575-R582 PolarHBondContact OE1-NH1 2.66Å; E575-R582 IonicContact OE1-NH2 3.18Å; L578-R582 WeakPolarHBondContact O-CG 3.4Å; L578-R582 PolarHBondContact O-N 3.38Å; N579-R582 PolarHBondContact O-N 3.42Å; N579-R582 PolarHBondContact OD1-NH1 3.14Å; Y580-R582 PolarHBondContact O-N 3.44Å; R582-I633 HydrophobicContact CG-CD1 3.78Å; R582-I633 HydrophobicContact CG-CG1 3.89Å; R582-I633 HydrophobicContact CG-CG2 4.41Å |
| 583 | H | 74.7 | Confident | 78 | Confident | 155 Ų | 155 | 59 Ų | 59 | 72% | 0.718 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -96 | -28.8 | -175.2 | -66.5 | -64.4 | 0 | 0 | 0 | 114.1 | N579 Y580 L581 | N579-H583 PolarHBondContact O-CD2 3.39Å; N579-H583 PolarHBondContact O-N 3.1Å; Y580-H583 PolarHBondContact O-N 2.84Å; L581-H583 PolarHBondContact O-N 2.82Å |
| 584 | D | 67.6 | Low | 78 | Confident | 18 Ų | 18 | 59 Ų | 59 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | trans | -111.4 | 28.7 | -168.1 | -157.7 | 28.2 | 0 | 0 | 0 | 115.2 | R549 Y580 W586 P587 | R549-D584 WeakPolarHBondContact CD-OD2 2.98Å; R549-D584 IonicContact CZ-OD1 3.94Å; R549-D584 IonicContact NE-OD2 3.31Å; R549-D584 VanDerWaalsContact NH1-CG 3.33Å; R549-D584 IonicContact NH1-OD1 3.38Å; R549-D584 PolarHBondContact NH1-OD1 2.75Å; R549-D584 IonicContact NH1-OD2 3.89Å; R549-D584 PolarHBondContact NH1-OD2 3.46Å; Y580-D584 HydrophobicContact CD2-CB 4.09Å; Y580-D584 HydrophobicContact CE2-CB 3.62Å; Y580-D584 WeakPolarHBondContact CE2-OD2 3.48Å; Y580-D584 WeakPolarHBondContact O-CB 3.28Å; Y580-D584 PolarHBondContact O-N 3.1Å; Y580-D584 PolarHBondContact OH-OD2 2.82Å; D584-W586 PolarHBondContact O-N 2.71Å; D584-W586 VanDerWaalsContact O-N 3.12Å; D584-P587 WeakPolarHBondContact O-CD 3.27Å | ||
| 585 | L | 57.3 | Low | 77.9 | Confident | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | trans | -77.8 | 18.4 | 175.6 | -71.6 | 150.5 | 0 | 0 | 0 | 113.9 | L581 I633 C637 R646 L649 | L581-L585 WeakPolarHBondContact O-CD1 3.2Å; L581-L585 WeakPolarHBondContact O-CG 3.5Å; L585-I633 HydrophobicContact CD1-CG2 4.03Å; L585-C637 WeakPolarHBondContact CD1-SG 3.38Å; L585-R646 HydrophobicContact CB-CG 4.35Å; L585-L649 HydrophobicContact CB-CD2 4.48Å; L585-L649 HydrophobicContact CD2-CD2 3.49Å; L585-L649 VanDerWaalsContact CD2-CD2 3.49Å; L585-L649 HydrophobicContact CD2-CG 3.87Å; L585-L649 HydrophobicContact CG-CD2 4.41Å | ||
| 586 | W | 63.5 | Low | 77.8 | Confident | 148 Ų | 148 | 58.7 Ų | 58.7 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | trans | -120.4 | 34.6 | -176.7 | -60.8 | 77.1 | 0 | 0 | 0 | 115.5 | D584 D588 P643 | D584-W586 PolarHBondContact O-N 2.71Å; D584-W586 VanDerWaalsContact O-N 3.12Å; W586-D588 PolarHBondContact O-N 3.19Å; W586-P643 HydrophobicContact CH2-CG 3.85Å; W586-P643 HydrophobicContact CZ3-CB 4.36Å; W586-P643 HydrophobicContact CZ3-CG 3.9Å | ||
| 587 | P | 64.5 | Low | 77.9 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | trans | -76.3 | 126.8 | -179.2 | 32.8 | -34.2 | 0 | 0 | 0 | 110.7 | D584 S589 I592 H593 I596 | D584-P587 WeakPolarHBondContact O-CD 3.27Å; P587-S589 PolarHBondContact O-N 2.88Å; P587-I592 HydrophobicContact CB-CB 3.69Å; P587-I592 HydrophobicContact CB-CD1 3.97Å; P587-I592 HydrophobicContact CB-CG1 4.44Å; P587-I592 HydrophobicContact CB-CG2 3.42Å; P587-I592 VanDerWaalsContact CB-CG2 3.42Å; P587-I592 HydrophobicContact CG-CB 4.26Å; P587-I592 HydrophobicContact CG-CG2 3.8Å; P587-H593 WeakPolarHBondContact CG-CD2 3.28Å; P587-I596 HydrophobicContact CG-CD1 4.33Å | ||
| 588 | D | 59.7 | Low | 77.8 | Confident | 169 Ų | 169 | 62.1 Ų | 62.1 | 90% | 0.904 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -68.7 | -15.1 | 176.6 | -65.2 | -39.5 | 0 | 0 | 0 | 113.1 | W586 | W586-D588 PolarHBondContact O-N 3.19Š|
| 589 | S | 68.5 | Low | 77.7 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | trans | -103.8 | 130.2 | -174.6 | 93.5 | 0 | 0 | 0 | 0 | 113.8 | P587 R591 I592 H593 | P587-S589 PolarHBondContact O-N 2.88Å; S589-R591 PolarHBondContact O-N 2.76Å; S589-R591 VanDerWaalsContact O-N 3.11Å; S589-I592 PolarHBondContact O-N 3.29Å; S589-I592 VanDerWaalsContact O-N 3.15Å; S589-I592 VanDerWaalsContact OG-CD1 3.24Å; S589-I592 WeakPolarHBondContact OG-CD1 3.46Å; S589-I592 WeakPolarHBondContact OG-CG1 3.42Å; S589-I592 PolarHBondContact OG-N 3Å; S589-H593 PolarHBondContact O-N 2.93Å | ||
| 590 | K | 71.1 | Confident | 77.9 | Confident | 188 Ų | 188 | 60 Ų | 60 | 82% | 0.817 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.9 | -26.1 | 173.2 | -69.2 | -173.7 | 179 | -176.3 | 0 | 113.7 | G594 | K590-G594 PolarHBondContact O-N 3.41Å; K590-G594 VanDerWaalsContact O-N 3.17Å |
| 591 | R | 72.2 | Confident | 78.3 | Confident | 187 Ų | 187 | 62.3 Ų | 62.3 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.4 | -44.7 | 178.6 | -176.2 | -179.1 | 178.3 | -172.9 | -0.7 | 111.2 | S589 G594 Q595 | S589-R591 PolarHBondContact O-N 2.76Å; S589-R591 VanDerWaalsContact O-N 3.11Å; R591-G594 PolarHBondContact O-N 2.86Å; R591-Q595 PolarHBondContact O-N 3.34Å |
| 592 | I | 77.7 | Confident | 78.4 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 177.4 | -64.9 | 162.5 | 0 | 0 | 0 | 109.7 | N546 L550 P587 S589 G594 Q595 I596 | N546-I592 HydrophobicContact CB-CD1 4.17Å; L550-I592 HydrophobicContact CD1-CG1 3.85Å; L550-I592 HydrophobicContact CD2-CB 4.36Å; L550-I592 HydrophobicContact CD2-CG1 4.06Å; L550-I592 HydrophobicContact CD2-CG2 4.07Å; L550-I592 HydrophobicContact CG-CG1 4.2Å; P587-I592 HydrophobicContact CB-CB 3.69Å; P587-I592 HydrophobicContact CB-CD1 3.97Å; P587-I592 HydrophobicContact CB-CG1 4.44Å; P587-I592 HydrophobicContact CB-CG2 3.42Å; P587-I592 VanDerWaalsContact CB-CG2 3.42Å; P587-I592 HydrophobicContact CG-CB 4.26Å; P587-I592 HydrophobicContact CG-CG2 3.8Å; S589-I592 PolarHBondContact O-N 3.29Å; S589-I592 VanDerWaalsContact O-N 3.15Å; S589-I592 VanDerWaalsContact OG-CD1 3.24Å; S589-I592 WeakPolarHBondContact OG-CD1 3.46Å; S589-I592 WeakPolarHBondContact OG-CG1 3.42Å; S589-I592 PolarHBondContact OG-N 3Å; I592-G594 VanDerWaalsContact C-N 3.33Å; I592-G594 PolarHBondContact O-N 3.36Å; I592-Q595 PolarHBondContact O-N 3.38Å; I592-I596 HydrophobicContact CG2-CD1 3.75Å; I592-I596 HydrophobicContact CG2-CG1 4.19Å; I592-I596 WeakPolarHBondContact O-CG1 3.42Å; I592-I596 PolarHBondContact O-N 2.98Å |
| 593 | H | 81.3 | Confident | 78.8 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -49.7 | -51.4 | 172.6 | -90.7 | -174.7 | 0 | 0 | 0 | 112.9 | P587 S589 Q595 I596 V597 S645 | P587-H593 WeakPolarHBondContact CG-CD2 3.28Å; S589-H593 PolarHBondContact O-N 2.93Å; H593-Q595 VanDerWaalsContact C-N 3.28Å; H593-Q595 PolarHBondContact O-N 3.24Å; H593-I596 PolarHBondContact O-N 3.32Å; H593-V597 VanDerWaalsContact O-CG2 3.31Å; H593-V597 WeakPolarHBondContact O-CG2 3.27Å; H593-V597 PolarHBondContact O-N 3.2Å; H593-S645 PolarHBondContact CE1-O 3.33Å; H593-S645 PolarHBondContact NE2-O 3.35Å |
| 594 | G | 83.7 | Confident | 79.6 | Confident | 44 Ų | 44 | 53 Ų | 53 | 45% | 0.454 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -35 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K590 R591 I592 S598 | K590-G594 PolarHBondContact O-N 3.41Å; K590-G594 VanDerWaalsContact O-N 3.17Å; R591-G594 PolarHBondContact O-N 2.86Å; I592-G594 VanDerWaalsContact C-N 3.33Å; I592-G594 PolarHBondContact O-N 3.36Å; G594-S598 WeakPolarHBondContact O-CB 3.29Å; G594-S598 PolarHBondContact O-N 3.33Å |
| 595 | Q | 84.5 | Confident | 80.7 | Confident | 48 Ų | 48 | 54.4 Ų | 54.4 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.6 | -39.7 | 178.4 | -73.2 | -178.5 | -48.1 | 0 | 0 | 112.5 | L550 R591 I592 H593 S598 A599 | L550-Q595 HydrophobicContact CD2-CB 4.15Å; R591-Q595 PolarHBondContact O-N 3.34Å; I592-Q595 PolarHBondContact O-N 3.38Å; H593-Q595 VanDerWaalsContact C-N 3.28Å; H593-Q595 PolarHBondContact O-N 3.24Å; Q595-S598 PolarHBondContact O-N 2.85Å; Q595-A599 WeakPolarHBondContact O-CB 3.39Å; Q595-A599 PolarHBondContact O-N 3.29Å |
| 596 | I | 87.6 | Confident | 82.2 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -46 | 173.3 | -63.6 | 173 | 0 | 0 | 0 | 110 | L553 Y580 L581 P587 I592 H593 S598 A599 T600 L649 | L553-I596 HydrophobicContact CD2-CG1 4.03Å; Y580-I596 HydrophobicContact CE1-CD1 4.5Å; Y580-I596 HydrophobicContact CE1-CG1 4.32Å; L581-I596 HydrophobicContact CD2-CG2 3.53Å; P587-I596 HydrophobicContact CG-CD1 4.33Å; I592-I596 HydrophobicContact CG2-CD1 3.75Å; I592-I596 HydrophobicContact CG2-CG1 4.19Å; I592-I596 WeakPolarHBondContact O-CG1 3.42Å; I592-I596 PolarHBondContact O-N 2.98Å; H593-I596 PolarHBondContact O-N 3.32Å; I596-S598 VanDerWaalsContact C-N 3.31Å; I596-S598 PolarHBondContact O-N 3.19Å; I596-A599 WeakPolarHBondContact O-CB 3.24Å; I596-A599 PolarHBondContact O-N 3.26Å; I596-T600 PolarHBondContact O-N 3.44Å; I596-T600 PolarHBondContact O-OG1 3.27Å; I596-L649 HydrophobicContact CB-CD1 4.22Å; I596-L649 HydrophobicContact CD1-CD2 4.16Å; I596-L649 HydrophobicContact CG2-CD1 4.02Å; I596-L649 HydrophobicContact CG2-CD2 4.44Å |
| 597 | V | 89.6 | Confident | 83.4 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 18% | 0.176 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 177 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | H593 K601 L649 A652 T656 | H593-V597 VanDerWaalsContact O-CG2 3.31Å; H593-V597 WeakPolarHBondContact O-CG2 3.27Å; H593-V597 PolarHBondContact O-N 3.2Å; V597-K601 WeakPolarHBondContact O-CB 3.39Å; V597-K601 PolarHBondContact O-N 3.09Å; V597-L649 HydrophobicContact CG2-CD1 3.8Å; V597-A652 HydrophobicContact CG2-CB 3.87Å; V597-T656 WeakPolarHBondContact CG1-OG1 3.47Å |
| 598 | S | 90.2 | Very high | 84.6 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 39% | 0.385 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 174.2 | -164.5 | 0 | 0 | 0 | 0 | 112.3 | G594 Q595 I596 K601 D602 | G594-S598 WeakPolarHBondContact O-CB 3.29Å; G594-S598 PolarHBondContact O-N 3.33Å; Q595-S598 PolarHBondContact O-N 2.85Å; I596-S598 VanDerWaalsContact C-N 3.31Å; I596-S598 PolarHBondContact O-N 3.19Å; S598-K601 WeakPolarHBondContact O-CB 3.3Å; S598-K601 PolarHBondContact O-N 3.37Å; S598-D602 VanDerWaalsContact O-CG 3.26Å; S598-D602 PolarHBondContact O-N 3.35Å |
| 599 | A | 90.9 | Very high | 85.8 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L553 V557 F577 Q595 I596 K601 D602 I603 | L553-A599 HydrophobicContact CD1-CB 4.03Å; L553-A599 HydrophobicContact CD2-CB 4.13Å; L553-A599 HydrophobicContact CG-CB 4.12Å; V557-A599 HydrophobicContact CG2-CB 3.34Å; F577-A599 HydrophobicContact CE2-CB 4.21Å; Q595-A599 WeakPolarHBondContact O-CB 3.39Å; Q595-A599 PolarHBondContact O-N 3.29Å; I596-A599 WeakPolarHBondContact O-CB 3.24Å; I596-A599 PolarHBondContact O-N 3.26Å; A599-K601 VanDerWaalsContact C-N 3.31Å; A599-K601 PolarHBondContact O-N 3.04Å; A599-D602 PolarHBondContact O-N 2.85Å; A599-I603 WeakPolarHBondContact O-CB 3.38Å; A599-I603 WeakPolarHBondContact O-CG1 3.46Å; A599-I603 PolarHBondContact O-N 3.27Å |
| 600 | T | 92.2 | Very high | 86.5 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.9 | -47 | 174.5 | -57 | 0 | 0 | 0 | 0 | 110.8 | I596 L604 L630 | I596-T600 PolarHBondContact O-N 3.44Å; I596-T600 PolarHBondContact O-OG1 3.27Å; T600-L604 WeakPolarHBondContact O-CB 3.49Å; T600-L604 PolarHBondContact O-N 2.98Å; T600-L630 HydrophobicContact CG2-CD1 4.31Å; T600-L630 HydrophobicContact CG2-CD2 4.12Å |
| 601 | K | 94.8 | Very high | 87.1 | Confident | 61 Ų | 61 | 36.3 Ų | 36.3 | 27% | 0.265 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.3 | -51 | 177.7 | -176 | -167.9 | 173.2 | -170.8 | 0 | 112.3 | V597 S598 A599 L604 L605 T656 | V597-K601 WeakPolarHBondContact O-CB 3.39Å; V597-K601 PolarHBondContact O-N 3.09Å; S598-K601 WeakPolarHBondContact O-CB 3.3Å; S598-K601 PolarHBondContact O-N 3.37Å; A599-K601 VanDerWaalsContact C-N 3.31Å; A599-K601 PolarHBondContact O-N 3.04Å; K601-L604 PolarHBondContact O-N 3.06Å; K601-L605 WeakPolarHBondContact O-CB 3.32Å; K601-L605 PolarHBondContact O-N 3.4Å; K601-T656 HydrophobicContact CB-CG2 3.57Å; K601-T656 HydrophobicContact CG-CG2 4.03Å |
| 602 | D | 91 | Very high | 87.5 | Confident | 65 Ų | 65 | 31.3 Ų | 31.3 | 35% | 0.348 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.3 | -42.5 | -173.5 | -66.6 | -24.4 | 0 | 0 | 0 | 111.5 | V557 T561 S598 A599 H606 | V557-D602 HydrophobicContact CG1-CB 3.91Å; T561-D602 HydrophobicContact CG2-CB 4.26Å; T561-D602 WeakPolarHBondContact CG2-O 3.08Å; S598-D602 VanDerWaalsContact O-CG 3.26Å; S598-D602 PolarHBondContact O-N 3.35Å; A599-D602 PolarHBondContact O-N 2.85Å; D602-H606 WeakPolarHBondContact O-CB 3.46Å; D602-H606 PolarHBondContact O-N 2.72Å; D602-H606 VanDerWaalsContact O-N 3.16Å |
| 603 | I | 91.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 175 | -68.5 | 168.6 | 0 | 0 | 0 | 110.7 | V557 I560 L574 F577 A599 H606 T607 F626 | V557-I603 HydrophobicContact CG2-CD1 4Å; V557-I603 HydrophobicContact CG2-CG1 4.36Å; I560-I603 HydrophobicContact CB-CG1 4.36Å; I560-I603 HydrophobicContact CD1-CD1 3.62Å; I560-I603 HydrophobicContact CD1-CG1 3.95Å; I560-I603 HydrophobicContact CD1-CG2 4.49Å; I560-I603 HydrophobicContact CG2-CG1 4.21Å; I560-I603 HydrophobicContact CG2-CG2 4.18Å; L574-I603 HydrophobicContact CD2-CG2 3.96Å; F577-I603 HydrophobicContact CB-CD1 4.39Å; F577-I603 HydrophobicContact CD1-CD1 3.88Å; F577-I603 HydrophobicContact CD2-CD1 3.69Å; F577-I603 HydrophobicContact CE1-CD1 4Å; F577-I603 HydrophobicContact CE2-CD1 3.83Å; F577-I603 HydrophobicContact CG-CD1 3.71Å; F577-I603 HydrophobicContact CZ-CD1 3.98Å; A599-I603 WeakPolarHBondContact O-CB 3.38Å; A599-I603 WeakPolarHBondContact O-CG1 3.46Å; A599-I603 PolarHBondContact O-N 3.27Å; I603-H606 PolarHBondContact O-N 3.13Å; I603-T607 HydrophobicContact CG2-CG2 4.48Å; I603-T607 WeakPolarHBondContact O-CG2 3.02Å; I603-T607 PolarHBondContact O-N 3.23Å; I603-T607 PolarHBondContact O-OG1 3.42Å; I603-T607 VanDerWaalsContact O-OG1 3.06Å; I603-F626 HydrophobicContact CG2-CE1 4.12Å; I603-F626 HydrophobicContact CG2-CZ 3.76Å |
| 604 | L | 92.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.1 | -46 | -178.7 | -175.4 | 65.5 | 0 | 0 | 0 | 111.7 | T600 K601 H606 T607 L608 H627 L630 V657 C660 F661 | T600-L604 WeakPolarHBondContact O-CB 3.49Å; T600-L604 PolarHBondContact O-N 2.98Å; K601-L604 PolarHBondContact O-N 3.06Å; L604-H606 VanDerWaalsContact C-N 3.27Å; L604-H606 PolarHBondContact O-N 3.31Å; L604-T607 WeakPolarHBondContact CA-OG1 3.04Å; L604-T607 PolarHBondContact O-N 3.24Å; L604-T607 PolarHBondContact O-OG1 2.99Å; L604-L608 HydrophobicContact CD1-CD1 4.2Å; L604-L608 HydrophobicContact CD1-CG 4.07Å; L604-L608 HydrophobicContact CD2-CD1 4.4Å; L604-L608 HydrophobicContact CG-CD1 3.82Å; L604-L608 HydrophobicContact CG-CG 4.14Å; L604-L608 VanDerWaalsContact O-CB 3.29Å; L604-L608 WeakPolarHBondContact O-CB 3.39Å; L604-L608 VanDerWaalsContact O-CG 3.23Å; L604-L608 WeakPolarHBondContact O-CG 3.05Å; L604-L608 PolarHBondContact O-N 3.37Å; L604-H627 VanDerWaalsContact CD1-CD2 3.49Å; L604-H627 WeakPolarHBondContact CD1-CD2 3.2Å; L604-L630 HydrophobicContact CD1-CD2 4.25Å; L604-V657 VanDerWaalsContact CD2-CA 3.47Å; L604-V657 HydrophobicContact CD2-CB 3.99Å; L604-V657 HydrophobicContact CD2-CG1 4.06Å; L604-V657 HydrophobicContact CD2-CG2 3.87Å; L604-C660 HydrophobicContact CD2-CB 3.55Å; L604-C660 HydrophobicContact CG-CB 3.97Å; L604-F661 HydrophobicContact CD1-CE2 4.2Å |
| 605 | L | 90.6 | Very high | 86.3 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.6 | -40 | 178.5 | -166.2 | 70.8 | 0 | 0 | 0 | 111.2 | K601 L609 V664 | K601-L605 WeakPolarHBondContact O-CB 3.32Å; K601-L605 PolarHBondContact O-N 3.4Å; L605-L609 HydrophobicContact CG-CD1 4.42Å; L605-L609 WeakPolarHBondContact O-CB 3.42Å; L605-L609 WeakPolarHBondContact O-CD1 3.05Å; L605-L609 VanDerWaalsContact O-CG 3.23Å; L605-L609 WeakPolarHBondContact O-CG 3.35Å; L605-L609 PolarHBondContact O-N 2.84Å; L605-L609 VanDerWaalsContact O-N 3.11Å; L605-V664 HydrophobicContact CD1-CG2 3.78Å |
| 606 | H | 88.3 | Confident | 85.4 | Confident | 48 Ų | 48 | 46.7 Ų | 46.7 | 22% | 0.222 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -51 | 175.1 | -178.3 | 75.2 | 0 | 0 | 0 | 112.3 | I560 T561 D602 I603 L604 L608 L609 I610 | I560-H606 PolarHBondContact O-NE2 3.43Å; T561-H606 HydrophobicContact CG2-CB 4.01Å; D602-H606 WeakPolarHBondContact O-CB 3.46Å; D602-H606 PolarHBondContact O-N 2.72Å; D602-H606 VanDerWaalsContact O-N 3.16Å; I603-H606 PolarHBondContact O-N 3.13Å; L604-H606 VanDerWaalsContact C-N 3.27Å; L604-H606 PolarHBondContact O-N 3.31Å; H606-L608 PolarHBondContact O-N 2.97Å; H606-L609 PolarHBondContact O-N 3.19Å; H606-I610 WeakPolarHBondContact O-CG1 3.44Å; H606-I610 PolarHBondContact O-N 3.05Å |
| 607 | T | 89.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67 | -35 | -179.3 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | L569 L574 I603 L604 I610 M611 F626 H627 | L569-T607 HydrophobicContact CD1-CG2 4.48Å; L569-T607 HydrophobicContact CD2-CG2 4.12Å; L574-T607 HydrophobicContact CD2-CG2 4.21Å; I603-T607 HydrophobicContact CG2-CG2 4.48Å; I603-T607 WeakPolarHBondContact O-CG2 3.02Å; I603-T607 PolarHBondContact O-N 3.23Å; I603-T607 PolarHBondContact O-OG1 3.42Å; I603-T607 VanDerWaalsContact O-OG1 3.06Å; L604-T607 WeakPolarHBondContact CA-OG1 3.04Å; L604-T607 PolarHBondContact O-N 3.24Å; L604-T607 PolarHBondContact O-OG1 2.99Å; T607-I610 WeakPolarHBondContact O-CB 3.38Å; T607-I610 PolarHBondContact O-N 3.14Å; T607-M611 PolarHBondContact O-N 3.29Å; T607-F626 HydrophobicContact CG2-CD1 4.37Å; T607-F626 HydrophobicContact CG2-CE1 4.23Å; T607-H627 PolarHBondContact OG1-NE2 3.33Å |
| 608 | L | 89.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 173.9 | -76.3 | 178.4 | 0 | 0 | 0 | 112.8 | L604 H606 I610 M611 K612 C660 F661 V664 F665 | L604-L608 HydrophobicContact CD1-CD1 4.2Å; L604-L608 HydrophobicContact CD1-CG 4.07Å; L604-L608 HydrophobicContact CD2-CD1 4.4Å; L604-L608 HydrophobicContact CG-CD1 3.82Å; L604-L608 HydrophobicContact CG-CG 4.14Å; L604-L608 VanDerWaalsContact O-CB 3.29Å; L604-L608 WeakPolarHBondContact O-CB 3.39Å; L604-L608 VanDerWaalsContact O-CG 3.23Å; L604-L608 WeakPolarHBondContact O-CG 3.05Å; L604-L608 PolarHBondContact O-N 3.37Å; H606-L608 PolarHBondContact O-N 2.97Å; L608-I610 VanDerWaalsContact C-N 3.26Å; L608-I610 PolarHBondContact O-N 3.29Å; L608-M611 HydrophobicContact CD2-CE 3.73Å; L608-M611 WeakPolarHBondContact O-CB 3.37Å; L608-M611 PolarHBondContact O-N 3.09Å; L608-K612 PolarHBondContact O-N 3.29Å; L608-C660 HydrophobicContact CD1-CB 3.79Å; L608-F661 HydrophobicContact CD1-CD2 3.81Å; L608-F661 HydrophobicContact CD1-CE2 4.17Å; L608-F661 HydrophobicContact CD1-CG 4.17Å; L608-F661 HydrophobicContact CD2-CD1 4.1Å; L608-F661 HydrophobicContact CD2-CD2 4.05Å; L608-F661 HydrophobicContact CD2-CE1 3.79Å; L608-F661 HydrophobicContact CD2-CE2 3.76Å; L608-F661 HydrophobicContact CD2-CG 4.23Å; L608-F661 HydrophobicContact CD2-CZ 3.62Å; L608-F661 HydrophobicContact CG-CD2 4.49Å; L608-F661 HydrophobicContact CG-CE2 4.4Å; L608-V664 HydrophobicContact CB-CB 4.37Å; L608-V664 HydrophobicContact CB-CG1 4.25Å; L608-V664 HydrophobicContact CB-CG2 3.97Å; L608-V664 HydrophobicContact CD1-CG2 4.28Å; L608-F665 HydrophobicContact CD2-CE2 3.76Å; L608-F665 HydrophobicContact CD2-CZ 4.34Å |
| 609 | L | 85.1 | Confident | 82.4 | Confident | 71 Ų | 71 | 53.2 Ų | 53.2 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.6 | -30.6 | 175.3 | -73.7 | 169.7 | 0 | 0 | 0 | 112.2 | L605 H606 R613 V664 | L605-L609 HydrophobicContact CG-CD1 4.42Å; L605-L609 WeakPolarHBondContact O-CB 3.42Å; L605-L609 WeakPolarHBondContact O-CD1 3.05Å; L605-L609 VanDerWaalsContact O-CG 3.23Å; L605-L609 WeakPolarHBondContact O-CG 3.35Å; L605-L609 PolarHBondContact O-N 2.84Å; L605-L609 VanDerWaalsContact O-N 3.11Å; H606-L609 PolarHBondContact O-N 3.19Å; L609-R613 VanDerWaalsContact O-CG 3.31Å; L609-R613 WeakPolarHBondContact O-CG 3.41Å; L609-R613 PolarHBondContact O-N 3.23Å; L609-V664 HydrophobicContact CD2-CG2 4.42Å |
| 610 | I | 82.2 | Confident | 81.7 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -49.5 | 171.1 | -66.5 | 170.8 | 0 | 0 | 0 | 109.8 | L569 H606 T607 L608 K612 R613 E614 | L569-I610 HydrophobicContact CD1-CD1 3.34Å; H606-I610 WeakPolarHBondContact O-CG1 3.44Å; H606-I610 PolarHBondContact O-N 3.05Å; T607-I610 WeakPolarHBondContact O-CB 3.38Å; T607-I610 PolarHBondContact O-N 3.14Å; L608-I610 VanDerWaalsContact C-N 3.26Å; L608-I610 PolarHBondContact O-N 3.29Å; I610-K612 PolarHBondContact O-N 3.1Å; I610-K612 VanDerWaalsContact O-N 3.13Å; I610-R613 PolarHBondContact O-N 3.17Å; I610-E614 HydrophobicContact CG2-CB 4.46Å; I610-E614 WeakPolarHBondContact O-CB 3.25Å; I610-E614 PolarHBondContact O-N 3.28Å |
| 611 | M | 84 | Confident | 81.2 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.4 | -35.8 | 177.1 | -167.9 | 168.9 | 76 | 0 | 0 | 112.4 | T607 L608 L620 V623 K624 F661 F665 | T607-M611 PolarHBondContact O-N 3.29Å; L608-M611 HydrophobicContact CD2-CE 3.73Å; L608-M611 WeakPolarHBondContact O-CB 3.37Å; L608-M611 PolarHBondContact O-N 3.09Å; M611-L620 HydrophobicContact CB-CD1 4.33Å; M611-L620 HydrophobicContact CG-CD1 3.55Å; M611-V623 HydrophobicContact CB-CG1 4.1Å; M611-V623 HydrophobicContact SD-CG1 4.48Å; M611-K624 HydrophobicContact SD-CG 3.82Å; M611-F661 HydrophobicContact CE-CE1 4.18Å; M611-F665 HydrophobicContact CE-CE1 4.32Å; M611-F665 HydrophobicContact CE-CE2 3.49Å; M611-F665 VanDerWaalsContact CE-CE2 3.49Å; M611-F665 HydrophobicContact CE-CZ 3.21Å |
| 612 | K | 80.8 | Confident | 80.6 | Confident | 82 Ų | 82 | 59.3 Ų | 59.3 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74 | -25.3 | 177.1 | -170 | 168.1 | -173.1 | 162.6 | 0 | 114.2 | L608 I610 V664 F665 T667 D668 | L608-K612 PolarHBondContact O-N 3.29Å; I610-K612 PolarHBondContact O-N 3.1Å; I610-K612 VanDerWaalsContact O-N 3.13Å; K612-V664 HydrophobicContact CB-CG1 4.33Å; K612-V664 HydrophobicContact CD-CG1 3.9Å; K612-V664 PolarHBondContact NZ-O 2.72Å; K612-F665 HydrophobicContact CB-CE1 4.45Å; K612-T667 PolarHBondContact NZ-OG1 2.87Å; K612-D668 WeakPolarHBondContact CE-OD2 3.05Å; K612-D668 IonicContact NZ-OD1 2.98Å; K612-D668 PolarHBondContact NZ-OD1 3.03Å; K612-D668 IonicContact NZ-OD2 2.72Å; K612-D668 PolarHBondContact NZ-OD2 3.35Å |
| 613 | R | 78.8 | Confident | 80.4 | Confident | 199 Ų | 199 | 56.5 Ų | 56.5 | 75% | 0.751 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -98 | -29.3 | -176 | -71.2 | 173.9 | -178.4 | 177.7 | 1.6 | 113.5 | L609 I610 | L609-R613 VanDerWaalsContact O-CG 3.31Å; L609-R613 WeakPolarHBondContact O-CG 3.41Å; L609-R613 PolarHBondContact O-N 3.23Å; I610-R613 PolarHBondContact O-N 3.17Å |
| 614 | E | 72.4 | Confident | 80.2 | Confident | 45 Ų | 45 | 60.3 Ų | 60.3 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | trans | -83.1 | 133.9 | -168.3 | -158.2 | 69.9 | -166.3 | 0 | 0 | 111.9 | M567 I610 N616 N619 | M567-E614 WeakPolarHBondContact CE-OE1 3.39Å; I610-E614 HydrophobicContact CG2-CB 4.46Å; I610-E614 WeakPolarHBondContact O-CB 3.25Å; I610-E614 PolarHBondContact O-N 3.28Å; E614-N616 HydrophobicContact CG-CB 4.25Å; E614-N619 HydrophobicContact CG-CB 4.14Å; E614-N619 PolarHBondContact OE1-ND2 3.38Å | ||
| 615 | T | 65.3 | Low | 80 | Confident | 139 Ų | 139 | 62.6 Ų | 62.6 | 85% | 0.853 | 32% | 0.323 | S | S | * | . | trans | -103.4 | -13.2 | 174.2 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | T617 | T615-T617 PolarHBondContact O-N 2.88Š| ||
| 616 | N | 66.3 | Low | 80 | Confident | 70 Ų | 70 | 60.6 Ų | 60.6 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | trans | -74.9 | 120.8 | -179 | -166 | 7 | 0 | 0 | 0 | 111 | E614 T618 L620 | E614-N616 HydrophobicContact CG-CB 4.25Å; N616-T618 PolarHBondContact O-N 3.48Å; N616-L620 WeakPolarHBondContact O-CB 3.48Å; N616-L620 PolarHBondContact O-N 3.41Å | ||
| 617 | T | 67.3 | Low | 80.3 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 58% | 0.577 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | -169.9 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | T615 L620 D621 | T615-T617 PolarHBondContact O-N 2.88Å; T617-L620 WeakPolarHBondContact O-CB 3.38Å; T617-L620 PolarHBondContact O-N 3.41Å; T617-D621 VanDerWaalsContact O-CG 3.28Å; T617-D621 PolarHBondContact O-N 2.74Å |
| 618 | T | 67.3 | Low | 80.5 | Confident | 82 Ų | 82 | 58.7 Ų | 58.7 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | -177.2 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | N616 L620 D621 D622 | N616-T618 PolarHBondContact O-N 3.48Å; T618-L620 VanDerWaalsContact C-N 3.28Å; T618-L620 PolarHBondContact O-N 3.2Å; T618-D621 PolarHBondContact O-N 3.28Å; T618-D622 PolarHBondContact O-N 2.71Å |
| 619 | N | 70 | Confident | 80.7 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 177.3 | -72.2 | -11.6 | 0 | 0 | 0 | 111.3 | E614 V623 | E614-N619 HydrophobicContact CG-CB 4.14Å; E614-N619 PolarHBondContact OE1-ND2 3.38Å; N619-V623 WeakPolarHBondContact O-CG2 3.13Å; N619-V623 PolarHBondContact O-N 3.49Å |
| 620 | L | 77 | Confident | 81.1 | Confident | 35 Ų | 35 | 58.9 Ų | 58.9 | 18% | 0.183 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 178.3 | -166.9 | 73.1 | 0 | 0 | 0 | 111.6 | M611 N616 T617 T618 V623 K624 | M611-L620 HydrophobicContact CB-CD1 4.33Å; M611-L620 HydrophobicContact CG-CD1 3.55Å; N616-L620 WeakPolarHBondContact O-CB 3.48Å; N616-L620 PolarHBondContact O-N 3.41Å; T617-L620 WeakPolarHBondContact O-CB 3.38Å; T617-L620 PolarHBondContact O-N 3.41Å; T618-L620 VanDerWaalsContact C-N 3.28Å; T618-L620 PolarHBondContact O-N 3.2Å; L620-V623 PolarHBondContact O-N 2.94Å; L620-K624 HydrophobicContact CG-CD 4.43Å; L620-K624 WeakPolarHBondContact O-CB 3.34Å; L620-K624 WeakPolarHBondContact O-CG 3.22Å; L620-K624 PolarHBondContact O-N 3.13Å |
| 621 | D | 81.3 | Confident | 81.7 | Confident | 92 Ų | 92 | 56.8 Ų | 56.8 | 49% | 0.492 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 179 | -69.7 | -23.5 | 0 | 0 | 0 | 112 | T617 T618 K624 S625 | T617-D621 VanDerWaalsContact O-CG 3.28Å; T617-D621 PolarHBondContact O-N 2.74Å; T618-D621 PolarHBondContact O-N 3.28Å; D621-K624 PolarHBondContact O-N 2.91Å; D621-S625 WeakPolarHBondContact O-CB 3.46Å; D621-S625 PolarHBondContact O-N 3.07Å |
| 622 | D | 81.9 | Confident | 82.1 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175 | -80.9 | -14.6 | 0 | 0 | 0 | 112.3 | N571 T618 S625 F626 | N571-D622 VanDerWaalsContact ND2-CG 3.35Å; N571-D622 PolarHBondContact ND2-OD2 3.26Å; T618-D622 PolarHBondContact O-N 2.71Å; D622-S625 WeakPolarHBondContact O-CB 3.42Å; D622-S625 PolarHBondContact O-N 2.88Å; D622-F626 PolarHBondContact O-N 2.91Å |
| 623 | V | 85.7 | Confident | 82.6 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 177.6 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | M611 N619 L620 S625 F626 H627 | M611-V623 HydrophobicContact CB-CG1 4.1Å; M611-V623 HydrophobicContact SD-CG1 4.48Å; N619-V623 WeakPolarHBondContact O-CG2 3.13Å; N619-V623 PolarHBondContact O-N 3.49Å; L620-V623 PolarHBondContact O-N 2.94Å; V623-S625 VanDerWaalsContact C-N 3.35Å; V623-S625 PolarHBondContact O-N 3.12Å; V623-F626 WeakPolarHBondContact O-CB 3.34Å; V623-F626 PolarHBondContact O-N 3.47Å; V623-H627 WeakPolarHBondContact CG1-CE1 3.35Å; V623-H627 PolarHBondContact O-N 2.99Å; V623-H627 PolarHBondContact O-ND1 3.16Å |
| 624 | K | 87.2 | Confident | 83.3 | Confident | 80 Ų | 80 | 45.3 Ų | 45.3 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.8 | -44 | 174 | -74.7 | 173.6 | 178.6 | 174 | 0 | 111.5 | M611 L620 D621 F626 H627 V628 | M611-K624 HydrophobicContact SD-CG 3.82Å; L620-K624 HydrophobicContact CG-CD 4.43Å; L620-K624 WeakPolarHBondContact O-CB 3.34Å; L620-K624 WeakPolarHBondContact O-CG 3.22Å; L620-K624 PolarHBondContact O-N 3.13Å; D621-K624 PolarHBondContact O-N 2.91Å; K624-F626 VanDerWaalsContact C-N 3.32Å; K624-F626 PolarHBondContact O-N 2.87Å; K624-H627 PolarHBondContact O-N 3.41Å; K624-H627 VanDerWaalsContact O-N 3.14Å; K624-V628 WeakPolarHBondContact O-CG2 3.07Å; K624-V628 PolarHBondContact O-N 2.81Å |
| 625 | S | 89 | Confident | 84.1 | Confident | 48 Ų | 48 | 43.2 Ų | 43.2 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | D621 D622 V623 V628 K629 | D621-S625 WeakPolarHBondContact O-CB 3.46Å; D621-S625 PolarHBondContact O-N 3.07Å; D622-S625 WeakPolarHBondContact O-CB 3.42Å; D622-S625 PolarHBondContact O-N 2.88Å; V623-S625 VanDerWaalsContact C-N 3.35Å; V623-S625 PolarHBondContact O-N 3.12Å; S625-V628 PolarHBondContact O-N 3.07Å; S625-K629 WeakPolarHBondContact O-CB 3.25Å; S625-K629 VanDerWaalsContact O-CG 3.3Å; S625-K629 WeakPolarHBondContact O-CG 3.49Å; S625-K629 PolarHBondContact O-N 2.8Å |
| 626 | F | 92.1 | Very high | 85.2 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 173.2 | 166.4 | -101.9 | 0 | 0 | 0 | 112.4 | L574 F577 L578 I603 T607 D622 V623 K624 V628 K629 L630 | L574-F626 HydrophobicContact CB-CD2 3.77Å; L574-F626 HydrophobicContact CB-CE2 3.99Å; L574-F626 HydrophobicContact CB-CG 4.47Å; L574-F626 HydrophobicContact CD1-CB 3.78Å; L574-F626 HydrophobicContact CD1-CD1 4Å; L574-F626 HydrophobicContact CD1-CD2 3.67Å; L574-F626 HydrophobicContact CD1-CE2 4.24Å; L574-F626 HydrophobicContact CD1-CG 3.53Å; L574-F626 HydrophobicContact CD2-CD1 4.46Å; L574-F626 HydrophobicContact CD2-CD2 4.09Å; L574-F626 HydrophobicContact CD2-CE1 4.19Å; L574-F626 HydrophobicContact CD2-CE2 3.78Å; L574-F626 HydrophobicContact CD2-CG 4.42Å; L574-F626 HydrophobicContact CD2-CZ 3.85Å; L574-F626 HydrophobicContact CG-CD2 4.07Å; L574-F626 HydrophobicContact CG-CE2 4.23Å; L574-F626 HydrophobicContact CG-CG 4.38Å; F577-F626 HydrophobicContact CD1-CE2 4.28Å; F577-F626 HydrophobicContact CD1-CZ 4.25Å; L578-F626 HydrophobicContact CD1-CD2 3.8Å; L578-F626 HydrophobicContact CD1-CE2 4.23Å; L578-F626 HydrophobicContact CD2-CD2 3.94Å; L578-F626 HydrophobicContact CD2-CE2 3.64Å; L578-F626 HydrophobicContact CG-CD2 3.89Å; L578-F626 HydrophobicContact CG-CE2 3.79Å; I603-F626 HydrophobicContact CG2-CE1 4.12Å; I603-F626 HydrophobicContact CG2-CZ 3.76Å; T607-F626 HydrophobicContact CG2-CD1 4.37Å; T607-F626 HydrophobicContact CG2-CE1 4.23Å; D622-F626 PolarHBondContact O-N 2.91Å; V623-F626 WeakPolarHBondContact O-CB 3.34Å; V623-F626 PolarHBondContact O-N 3.47Å; K624-F626 VanDerWaalsContact C-N 3.32Å; K624-F626 PolarHBondContact O-N 2.87Å; F626-V628 VanDerWaalsContact C-N 3.35Å; F626-V628 PolarHBondContact O-N 2.92Å; F626-K629 PolarHBondContact O-N 3.32Å; F626-L630 HydrophobicContact CE1-CD2 4.26Å; F626-L630 HydrophobicContact CZ-CD2 4.18Å; F626-L630 WeakPolarHBondContact O-CB 3.46Å; F626-L630 PolarHBondContact O-N 3.25Å |
| 627 | H | 93.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -45.8 | 178.5 | -62 | 150.9 | 0 | 0 | 0 | 111.5 | L604 T607 V623 K624 L630 V631 F661 | L604-H627 VanDerWaalsContact CD1-CD2 3.49Å; L604-H627 WeakPolarHBondContact CD1-CD2 3.2Å; T607-H627 PolarHBondContact OG1-NE2 3.33Å; V623-H627 WeakPolarHBondContact CG1-CE1 3.35Å; V623-H627 PolarHBondContact O-N 2.99Å; V623-H627 PolarHBondContact O-ND1 3.16Å; K624-H627 PolarHBondContact O-N 3.41Å; K624-H627 VanDerWaalsContact O-N 3.14Å; H627-L630 PolarHBondContact O-N 2.85Å; H627-V631 WeakPolarHBondContact O-CB 3.42Å; H627-V631 WeakPolarHBondContact O-CG2 3.25Å; H627-V631 PolarHBondContact O-N 3.45Å; H627-F661 HydrophobicContact CB-CZ 4.36Å |
| 628 | V | 93.6 | Very high | 87.2 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.024 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.8 | 175.5 | 0 | 0 | 0 | 0 | 111 | K624 S625 F626 V631 H632 E683 A684 K687 | K624-V628 WeakPolarHBondContact O-CG2 3.07Å; K624-V628 PolarHBondContact O-N 2.81Å; S625-V628 PolarHBondContact O-N 3.07Å; F626-V628 VanDerWaalsContact C-N 3.35Å; F626-V628 PolarHBondContact O-N 2.92Å; V628-V631 PolarHBondContact O-N 2.99Å; V628-H632 VanDerWaalsContact O-CB 3.23Å; V628-H632 WeakPolarHBondContact O-CB 3.42Å; V628-H632 PolarHBondContact O-N 3.48Å; V628-E683 HydrophobicContact CG1-CB 4.18Å; V628-E683 HydrophobicContact CG1-CG 4.13Å; V628-E683 HydrophobicContact CG2-CB 4.3Å; V628-A684 HydrophobicContact CG1-CB 4.12Å; V628-K687 HydrophobicContact CG1-CD 4.34Å |
| 629 | K | 93.9 | Very high | 88 | Confident | 73 Ų | 73 | 31.6 Ų | 31.6 | 32% | 0.317 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 176.1 | -75.2 | 173.4 | 177.4 | 180 | 0 | 112.2 | E575 L578 S625 F626 H632 I633 | E575-K629 IonicContact OE2-NZ 2.73Å; E575-K629 PolarHBondContact OE2-NZ 3.44Å; L578-K629 HydrophobicContact CD1-CB 3.72Å; L578-K629 HydrophobicContact CD1-CD 3.74Å; L578-K629 HydrophobicContact CD1-CG 4.41Å; L578-K629 HydrophobicContact CD2-CB 4.41Å; S625-K629 WeakPolarHBondContact O-CB 3.25Å; S625-K629 VanDerWaalsContact O-CG 3.3Å; S625-K629 WeakPolarHBondContact O-CG 3.49Å; S625-K629 PolarHBondContact O-N 2.8Å; F626-K629 PolarHBondContact O-N 3.32Å; K629-H632 PolarHBondContact O-N 3.43Å; K629-I633 WeakPolarHBondContact O-CD1 3.42Å; K629-I633 VanDerWaalsContact O-CG1 3.29Å; K629-I633 WeakPolarHBondContact O-CG1 3.46Å; K629-I633 PolarHBondContact O-N 3.28Å |
| 630 | L | 94.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -51 | 178 | 174.7 | 63.3 | 0 | 0 | 0 | 110.8 | F577 L578 L581 T600 L604 F626 H627 H632 I633 L634 | F577-L630 HydrophobicContact CE1-CD1 4.05Å; L578-L630 HydrophobicContact CD2-CB 3.9Å; L578-L630 HydrophobicContact CD2-CD1 4.23Å; L581-L630 HydrophobicContact CD1-CD1 3.42Å; L581-L630 VanDerWaalsContact CD1-CD1 3.42Å; T600-L630 HydrophobicContact CG2-CD1 4.31Å; T600-L630 HydrophobicContact CG2-CD2 4.12Å; L604-L630 HydrophobicContact CD1-CD2 4.25Å; F626-L630 HydrophobicContact CE1-CD2 4.26Å; F626-L630 HydrophobicContact CZ-CD2 4.18Å; F626-L630 WeakPolarHBondContact O-CB 3.46Å; F626-L630 PolarHBondContact O-N 3.25Å; H627-L630 PolarHBondContact O-N 2.85Å; L630-H632 VanDerWaalsContact C-N 3.33Å; L630-H632 PolarHBondContact O-N 3.29Å; L630-I633 PolarHBondContact O-N 3.12Å; L630-L634 HydrophobicContact CD1-CD1 4.37Å; L630-L634 HydrophobicContact CG-CD1 4.29Å; L630-L634 WeakPolarHBondContact O-CG 2.99Å; L630-L634 PolarHBondContact O-N 2.73Å; L630-L634 VanDerWaalsContact O-N 3.09Å |
| 631 | V | 94.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 178 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | H627 V628 I633 L634 M635 L654 V657 L681 A684 | H627-V631 WeakPolarHBondContact O-CB 3.42Å; H627-V631 WeakPolarHBondContact O-CG2 3.25Å; H627-V631 PolarHBondContact O-N 3.45Å; V628-V631 PolarHBondContact O-N 2.99Å; V631-I633 PolarHBondContact O-N 2.9Å; V631-L634 PolarHBondContact O-N 3.03Å; V631-M635 HydrophobicContact CG1-CE 3.36Å; V631-M635 HydrophobicContact CG1-CG 4.31Å; V631-M635 WeakPolarHBondContact O-CG 3.21Å; V631-M635 PolarHBondContact O-N 2.92Å; V631-L654 HydrophobicContact CG1-CD2 4.17Å; V631-V657 HydrophobicContact CG2-CG1 3.82Å; V631-V657 HydrophobicContact CG2-CG2 4.31Å; V631-L681 HydrophobicContact CG1-CD2 3.78Å; V631-A684 HydrophobicContact CB-CB 4.01Å; V631-A684 HydrophobicContact CG1-CB 3.57Å |
| 632 | H | 92.5 | Very high | 88.7 | Confident | 49 Ų | 49 | 33 Ų | 33 | 23% | 0.227 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.2 | -48.8 | 176.8 | 176.8 | 79.9 | 0 | 0 | 0 | 111.7 | V628 K629 L630 L634 M635 T636 A684 | V628-H632 VanDerWaalsContact O-CB 3.23Å; V628-H632 WeakPolarHBondContact O-CB 3.42Å; V628-H632 PolarHBondContact O-N 3.48Å; K629-H632 PolarHBondContact O-N 3.43Å; L630-H632 VanDerWaalsContact C-N 3.33Å; L630-H632 PolarHBondContact O-N 3.29Å; H632-L634 VanDerWaalsContact C-N 3.3Å; H632-L634 PolarHBondContact O-N 3.13Å; H632-M635 PolarHBondContact O-N 3.12Å; H632-M635 VanDerWaalsContact O-N 3.14Å; H632-T636 WeakPolarHBondContact O-CG2 3.49Å; H632-T636 PolarHBondContact O-N 3.06Å; H632-A684 HydrophobicContact CB-CB 4.07Å; H632-A684 PolarHBondContact ND1-O 3.44Å |
| 633 | I | 91.7 | Very high | 88.9 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.7 | -45.9 | 176.6 | -67.9 | 161.5 | 0 | 0 | 0 | 110.7 | L578 L581 R582 L585 K629 L630 V631 M635 T636 | L578-I633 HydrophobicContact CB-CD1 3.91Å; L578-I633 HydrophobicContact CD2-CD1 3.78Å; L578-I633 HydrophobicContact CG-CD1 4.38Å; L581-I633 HydrophobicContact CB-CG2 4.07Å; R582-I633 HydrophobicContact CG-CD1 3.78Å; R582-I633 HydrophobicContact CG-CG1 3.89Å; R582-I633 HydrophobicContact CG-CG2 4.41Å; L585-I633 HydrophobicContact CD1-CG2 4.03Å; K629-I633 WeakPolarHBondContact O-CD1 3.42Å; K629-I633 VanDerWaalsContact O-CG1 3.29Å; K629-I633 WeakPolarHBondContact O-CG1 3.46Å; K629-I633 PolarHBondContact O-N 3.28Å; L630-I633 PolarHBondContact O-N 3.12Å; V631-I633 PolarHBondContact O-N 2.9Å; I633-M635 VanDerWaalsContact C-N 3.34Å; I633-M635 PolarHBondContact O-N 3Å; I633-T636 PolarHBondContact O-N 3.33Å; I633-T636 PolarHBondContact O-OG1 3.41Å |
| 634 | L | 92 | Very high | 88.7 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -37.9 | 178.5 | -65.3 | 170.2 | 0 | 0 | 0 | 112.5 | L630 V631 H632 C637 L654 V657 | L630-L634 HydrophobicContact CD1-CD1 4.37Å; L630-L634 HydrophobicContact CG-CD1 4.29Å; L630-L634 WeakPolarHBondContact O-CG 2.99Å; L630-L634 PolarHBondContact O-N 2.73Å; L630-L634 VanDerWaalsContact O-N 3.09Å; V631-L634 PolarHBondContact O-N 3.03Å; H632-L634 VanDerWaalsContact C-N 3.3Å; H632-L634 PolarHBondContact O-N 3.13Å; L634-C637 VanDerWaalsContact O-CB 3.28Å; L634-C637 WeakPolarHBondContact O-CB 3.36Å; L634-C637 PolarHBondContact O-N 2.78Å; L634-L654 HydrophobicContact CB-CD2 3.91Å; L634-L654 HydrophobicContact CB-CG 3.97Å; L634-V657 HydrophobicContact CD1-CG2 3.85Å |
| 635 | M | 90.2 | Very high | 88.5 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.6 | -33.7 | 175.4 | -71.4 | -159.9 | -153.3 | 0 | 0 | 112.8 | V631 H632 I633 C637 V638 L654 L681 A684 A685 L688 L709 L712 | V631-M635 HydrophobicContact CG1-CE 3.36Å; V631-M635 HydrophobicContact CG1-CG 4.31Å; V631-M635 WeakPolarHBondContact O-CG 3.21Å; V631-M635 PolarHBondContact O-N 2.92Å; H632-M635 PolarHBondContact O-N 3.12Å; H632-M635 VanDerWaalsContact O-N 3.14Å; I633-M635 VanDerWaalsContact C-N 3.34Å; I633-M635 PolarHBondContact O-N 3Å; M635-C637 PolarHBondContact O-N 2.93Å; M635-V638 PolarHBondContact O-N 2.88Å; M635-L654 HydrophobicContact CG-CD1 4.36Å; M635-L654 HydrophobicContact CG-CD2 4.04Å; M635-L681 HydrophobicContact CE-CB 4.18Å; M635-L681 HydrophobicContact CE-CD2 3.61Å; M635-L681 WeakPolarHBondContact CE-O 3.32Å; M635-A684 HydrophobicContact CE-CB 3.97Å; M635-A685 HydrophobicContact CE-CB 4.38Å; M635-A685 HydrophobicContact SD-CB 4.17Å; M635-L688 HydrophobicContact CB-CD1 3.73Å; M635-L688 HydrophobicContact SD-CD1 4Å; M635-L709 HydrophobicContact CE-CD1 4.04Å; M635-L712 HydrophobicContact CB-CD1 4.09Å; M635-L712 HydrophobicContact CB-CD2 4.38Å; M635-L712 HydrophobicContact CG-CD1 4.5Å; M635-L712 HydrophobicContact CG-CD2 4.09Å; M635-L712 HydrophobicContact SD-CD1 4.39Å; M635-L712 HydrophobicContact SD-CD2 4.26Å |
| 636 | T | 88.2 | Confident | 88.4 | Confident | 44 Ų | 44 | 31.1 Ų | 31.1 | 27% | 0.27 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12 | 175.3 | 67.6 | 0 | 0 | 0 | 0 | 113.6 | H632 I633 Y639 R646 L688 | H632-T636 WeakPolarHBondContact O-CG2 3.49Å; H632-T636 PolarHBondContact O-N 3.06Å; I633-T636 PolarHBondContact O-N 3.33Å; I633-T636 PolarHBondContact O-OG1 3.41Å; T636-Y639 WeakPolarHBondContact O-CD1 3.46Å; T636-R646 PolarHBondContact O-NH2 2.89Å; T636-L688 HydrophobicContact CG2-CD2 4.39Å |
| 637 | C | 87.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -14.7 | 172.6 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | L585 L634 M635 S642 R646 | L585-C637 WeakPolarHBondContact CD1-SG 3.38Å; L634-C637 VanDerWaalsContact O-CB 3.28Å; L634-C637 WeakPolarHBondContact O-CB 3.36Å; L634-C637 PolarHBondContact O-N 2.78Å; M635-C637 PolarHBondContact O-N 2.93Å; C637-S642 WeakPolarHBondContact O-CB 3.45Å; C637-S642 PolarHBondContact O-OG 2.84Å; C637-R646 HydrophobicContact CB-CG 3.73Å; C637-R646 WeakPolarHBondContact CB-O 3.42Å |
| 638 | V | 88.2 | Confident | 88.1 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | trans | -107.8 | 90.7 | -171 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | M635 L647 L651 L654 L712 | M635-V638 PolarHBondContact O-N 2.88Å; V638-L647 HydrophobicContact CB-CD1 4.32Å; V638-L647 HydrophobicContact CG1-CD1 3.99Å; V638-L647 HydrophobicContact CG2-CD1 4.3Å; V638-L651 HydrophobicContact CG1-CD2 4.25Å; V638-L651 HydrophobicContact CG2-CD2 3.93Å; V638-L651 HydrophobicContact CG2-CG 4.3Å; V638-L654 HydrophobicContact CG2-CD1 4.08Å; V638-L712 HydrophobicContact CB-CD1 4.35Å; V638-L712 HydrophobicContact CB-CD2 3.87Å; V638-L712 HydrophobicContact CB-CG 3.9Å; V638-L712 HydrophobicContact CG1-CD2 3.92Å; V638-L712 HydrophobicContact CG1-CG 3.85Å; V638-L712 WeakPolarHBondContact CG1-O 3.43Å; V638-L712 HydrophobicContact CG2-CD2 4.36Å | ||
| 639 | Y | 85.2 | Confident | 87.8 | Confident | 93 Ų | 93 | 32.3 Ų | 32.3 | 37% | 0.365 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -148 | 156.8 | 175.4 | 63 | -89.1 | 0 | 0 | 0 | 110.5 | T636 G641 S642 P643 T715 | T636-Y639 WeakPolarHBondContact O-CD1 3.46Å; Y639-G641 PolarHBondContact O-N 3.44Å; Y639-S642 VanDerWaalsContact O-CB 3.28Å; Y639-S642 WeakPolarHBondContact O-CB 3.48Å; Y639-S642 PolarHBondContact O-N 2.82Å; Y639-P643 WeakPolarHBondContact OH-CD 3.34Å; Y639-T715 VanDerWaalsContact C-CG2 3.44Å |
| 640 | P | 79.8 | Confident | 87.7 | Confident | 108 Ų | 108 | 28.8 Ų | 28.8 | 70% | 0.701 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 125.4 | 179 | -24.4 | 34.6 | 0 | 0 | 0 | 111.3 | T715 | P640-T715 HydrophobicContact CG-CG2 4.08Š|
| 641 | G | 79.7 | Confident | 87.6 | Confident | 78 Ų | 78 | 28.8 Ų | 28.8 | 80% | 0.804 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 7.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y639 | Y639-G641 PolarHBondContact O-N 3.44Š|
| 642 | S | 83.8 | Confident | 87.5 | Confident | 15 Ų | 15 | 29.1 Ų | 29.1 | 11% | 0.105 | 19% | 0.185 | C | C | . | . | trans | -56.5 | 136.4 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | C637 Y639 A644 | C637-S642 WeakPolarHBondContact O-CB 3.45Å; C637-S642 PolarHBondContact O-OG 2.84Å; Y639-S642 VanDerWaalsContact O-CB 3.28Å; Y639-S642 WeakPolarHBondContact O-CB 3.48Å; Y639-S642 PolarHBondContact O-N 2.82Å; S642-A644 PolarHBondContact O-N 3.34Å | ||
| 643 | P | 84.2 | Confident | 87.4 | Confident | 41 Ų | 41 | 26.8 Ų | 26.8 | 27% | 0.266 | 17% | 0.174 | S | C | . | . | trans | -51.9 | 137.4 | 173 | -25.8 | 33.9 | 0 | 0 | 0 | 111.4 | W586 Y639 S645 R646 L647 | W586-P643 HydrophobicContact CH2-CG 3.85Å; W586-P643 HydrophobicContact CZ3-CB 4.36Å; W586-P643 HydrophobicContact CZ3-CG 3.9Å; Y639-P643 WeakPolarHBondContact OH-CD 3.34Å; P643-S645 VanDerWaalsContact C-N 3.33Å; P643-S645 PolarHBondContact O-N 2.74Å; P643-R646 HydrophobicContact CB-CB 4.34Å; P643-R646 WeakPolarHBondContact O-CB 3.21Å; P643-R646 PolarHBondContact O-N 3.02Å; P643-L647 PolarHBondContact O-N 3.23Å | ||
| 644 | A | 82.8 | Confident | 87.5 | Confident | 44 Ų | 44 | 26.8 Ų | 26.8 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -47.9 | -49.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S642 R646 L647 S648 Y721 | S642-A644 PolarHBondContact O-N 3.34Å; A644-R646 PolarHBondContact O-N 2.85Å; A644-L647 PolarHBondContact O-N 2.86Å; A644-S648 PolarHBondContact O-N 3.28Å; A644-S648 PolarHBondContact O-OG 2.8Å; A644-S648 VanDerWaalsContact O-OG 3.06Å; A644-Y721 HydrophobicContact CB-CE2 3.6Å |
| 645 | S | 82.8 | Confident | 87.6 | Confident | 31 Ų | 31 | 27.4 Ų | 27.4 | 22% | 0.217 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 179.7 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | H593 P643 S648 L649 | H593-S645 PolarHBondContact CE1-O 3.33Å; H593-S645 PolarHBondContact NE2-O 3.35Å; P643-S645 VanDerWaalsContact C-N 3.33Å; P643-S645 PolarHBondContact O-N 2.74Å; S645-S648 PolarHBondContact O-N 2.95Å; S645-L649 WeakPolarHBondContact O-CB 3.21Å; S645-L649 PolarHBondContact O-N 3.47Å |
| 646 | R | 86.8 | Confident | 87.8 | Confident | 47 Ų | 47 | 28 Ų | 28 | 18% | 0.177 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 179.4 | -175.2 | 170.7 | -177.1 | 179 | -0.7 | 112 | L585 T636 C637 P643 A644 L649 G650 | L585-R646 HydrophobicContact CB-CG 4.35Å; T636-R646 PolarHBondContact O-NH2 2.89Å; C637-R646 HydrophobicContact CB-CG 3.73Å; C637-R646 WeakPolarHBondContact CB-O 3.42Å; P643-R646 HydrophobicContact CB-CB 4.34Å; P643-R646 WeakPolarHBondContact O-CB 3.21Å; P643-R646 PolarHBondContact O-N 3.02Å; A644-R646 PolarHBondContact O-N 2.85Å; R646-L649 PolarHBondContact O-N 3.41Å; R646-G650 PolarHBondContact O-N 3.45Å |
| 647 | L | 89 | Confident | 88.1 | Confident | 15 Ų | 15 | 26 Ų | 26 | 8% | 0.079 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -49.3 | 176.4 | -178.4 | 63.6 | 0 | 0 | 0 | 111.2 | V638 P643 A644 L649 G650 L651 | V638-L647 HydrophobicContact CB-CD1 4.32Å; V638-L647 HydrophobicContact CG1-CD1 3.99Å; V638-L647 HydrophobicContact CG2-CD1 4.3Å; P643-L647 PolarHBondContact O-N 3.23Å; A644-L647 PolarHBondContact O-N 2.86Å; L647-L649 PolarHBondContact O-N 2.73Å; L647-G650 PolarHBondContact O-N 2.8Å; L647-L651 HydrophobicContact CD1-CD1 3.93Å; L647-L651 HydrophobicContact CD1-CG 4.2Å; L647-L651 HydrophobicContact CG-CD1 3.94Å; L647-L651 WeakPolarHBondContact O-CG 3.11Å; L647-L651 PolarHBondContact O-N 3.04Å |
| 648 | S | 89.1 | Confident | 88.4 | Confident | 21 Ų | 21 | 26.1 Ų | 26.1 | 15% | 0.147 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | -180 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | A644 S645 A652 D724 | A644-S648 PolarHBondContact O-N 3.28Å; A644-S648 PolarHBondContact O-OG 2.8Å; A644-S648 VanDerWaalsContact O-OG 3.06Å; S645-S648 PolarHBondContact O-N 2.95Å; S648-A652 WeakPolarHBondContact O-CB 3.43Å; S648-A652 PolarHBondContact O-N 2.68Å; S648-D724 VanDerWaalsContact CA-OD1 3.28Å; S648-D724 WeakPolarHBondContact CA-OD1 3.45Å; S648-D724 WeakPolarHBondContact CB-OD1 3.43Å; S648-D724 VanDerWaalsContact OG-CG 3.27Å; S648-D724 PolarHBondContact OG-OD1 3.46Å; S648-D724 PolarHBondContact OG-OD2 3.41Å |
| 649 | L | 88.5 | Confident | 88.5 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.3 | -42.6 | 177.1 | -176.5 | 55.4 | 0 | 0 | 0 | 112 | L585 I596 V597 S645 R646 L647 G653 | L585-L649 HydrophobicContact CB-CD2 4.48Å; L585-L649 HydrophobicContact CD2-CD2 3.49Å; L585-L649 VanDerWaalsContact CD2-CD2 3.49Å; L585-L649 HydrophobicContact CD2-CG 3.87Å; L585-L649 HydrophobicContact CG-CD2 4.41Å; I596-L649 HydrophobicContact CB-CD1 4.22Å; I596-L649 HydrophobicContact CD1-CD2 4.16Å; I596-L649 HydrophobicContact CG2-CD1 4.02Å; I596-L649 HydrophobicContact CG2-CD2 4.44Å; V597-L649 HydrophobicContact CG2-CD1 3.8Å; S645-L649 WeakPolarHBondContact O-CB 3.21Å; S645-L649 PolarHBondContact O-N 3.47Å; R646-L649 PolarHBondContact O-N 3.41Å; L647-L649 PolarHBondContact O-N 2.73Å; L649-G653 PolarHBondContact O-N 3.15Å |
| 650 | G | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.6 | -49.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R646 L647 G653 L654 | R646-G650 PolarHBondContact O-N 3.45Å; L647-G650 PolarHBondContact O-N 2.8Å; G650-G653 PolarHBondContact O-N 3.45Å; G650-L654 WeakPolarHBondContact O-CB 3.19Å; G650-L654 VanDerWaalsContact O-CG 3.31Å; G650-L654 WeakPolarHBondContact O-CG 3.43Å; G650-L654 PolarHBondContact O-N 2.76Å |
| 651 | L | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.1 | -43.7 | -179.8 | -67.4 | 175 | 0 | 0 | 0 | 113 | V638 L647 G653 L654 Y655 D724 V728 | V638-L651 HydrophobicContact CG1-CD2 4.25Å; V638-L651 HydrophobicContact CG2-CD2 3.93Å; V638-L651 HydrophobicContact CG2-CG 4.3Å; L647-L651 HydrophobicContact CD1-CD1 3.93Å; L647-L651 HydrophobicContact CD1-CG 4.2Å; L647-L651 HydrophobicContact CG-CD1 3.94Å; L647-L651 WeakPolarHBondContact O-CG 3.11Å; L647-L651 PolarHBondContact O-N 3.04Å; L651-G653 VanDerWaalsContact C-N 3.29Å; L651-G653 PolarHBondContact O-N 2.96Å; L651-L654 PolarHBondContact O-N 3.36Å; L651-Y655 WeakPolarHBondContact O-CB 3.48Å; L651-Y655 PolarHBondContact O-N 2.83Å; L651-D724 HydrophobicContact CD1-CB 3.69Å; L651-V728 HydrophobicContact CD1-CG2 4.02Å; L651-V728 HydrophobicContact CD2-CG2 3.63Å; L651-V728 HydrophobicContact CG-CG2 4.39Å |
| 652 | A | 91.4 | Very high | 90 | Very high | 8 Ų | 8 | 15.6 Ų | 15.6 | 7% | 0.066 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V597 S648 T656 Y727 | V597-A652 HydrophobicContact CG2-CB 3.87Å; S648-A652 WeakPolarHBondContact O-CB 3.43Å; S648-A652 PolarHBondContact O-N 2.68Å; A652-T656 WeakPolarHBondContact O-CB 3.24Å; A652-T656 PolarHBondContact O-N 3.29Å; A652-T656 PolarHBondContact O-OG1 2.91Å; A652-Y727 HydrophobicContact CB-CD2 4.03Å; A652-Y727 HydrophobicContact CB-CE2 3.54Å |
| 653 | G | 92.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.1 | -50.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L649 G650 L651 Y655 T656 V657 | L649-G653 PolarHBondContact O-N 3.15Å; G650-G653 PolarHBondContact O-N 3.45Å; L651-G653 VanDerWaalsContact C-N 3.29Å; L651-G653 PolarHBondContact O-N 2.96Å; G653-Y655 VanDerWaalsContact C-N 3.34Å; G653-Y655 PolarHBondContact O-N 2.85Å; G653-T656 WeakPolarHBondContact O-CB 3.19Å; G653-T656 PolarHBondContact O-N 3.37Å; G653-T656 VanDerWaalsContact O-N 3.13Å; G653-V657 WeakPolarHBondContact O-CG2 3.24Å; G653-V657 PolarHBondContact O-N 3.11Å |
| 654 | L | 93.5 | Very high | 90.2 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 177.6 | -73.3 | 171.3 | 0 | 0 | 0 | 111.9 | V631 L634 M635 V638 G650 L651 T656 V657 V658 L712 I731 | V631-L654 HydrophobicContact CG1-CD2 4.17Å; L634-L654 HydrophobicContact CB-CD2 3.91Å; L634-L654 HydrophobicContact CB-CG 3.97Å; M635-L654 HydrophobicContact CG-CD1 4.36Å; M635-L654 HydrophobicContact CG-CD2 4.04Å; V638-L654 HydrophobicContact CG2-CD1 4.08Å; G650-L654 WeakPolarHBondContact O-CB 3.19Å; G650-L654 VanDerWaalsContact O-CG 3.31Å; G650-L654 WeakPolarHBondContact O-CG 3.43Å; G650-L654 PolarHBondContact O-N 2.76Å; L651-L654 PolarHBondContact O-N 3.36Å; L654-T656 VanDerWaalsContact C-N 3.32Å; L654-T656 PolarHBondContact O-N 2.86Å; L654-V657 WeakPolarHBondContact O-CB 3.37Å; L654-V657 PolarHBondContact O-N 3.07Å; L654-V658 WeakPolarHBondContact O-CG2 3.24Å; L654-V658 PolarHBondContact O-N 2.9Å; L654-L712 HydrophobicContact CD1-CD2 4.5Å; L654-I731 HydrophobicContact CB-CD1 3.99Å |
| 655 | Y | 93.9 | Very high | 90.3 | Very high | 14 Ų | 14 | 13.7 Ų | 13.7 | 6% | 0.055 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 174.9 | 171.1 | -110.5 | 0 | 0 | 0 | 111.5 | L651 G653 V657 V658 E659 Y727 K730 I731 | L651-Y655 WeakPolarHBondContact O-CB 3.48Å; L651-Y655 PolarHBondContact O-N 2.83Å; G653-Y655 VanDerWaalsContact C-N 3.34Å; G653-Y655 PolarHBondContact O-N 2.85Å; Y655-V657 VanDerWaalsContact C-N 3.29Å; Y655-V657 PolarHBondContact O-N 3.17Å; Y655-V658 PolarHBondContact O-N 3.18Å; Y655-E659 HydrophobicContact CD1-CG 4.46Å; Y655-E659 HydrophobicContact CD2-CG 4.07Å; Y655-E659 HydrophobicContact CE1-CG 3.96Å; Y655-E659 HydrophobicContact CE2-CG 3.5Å; Y655-E659 VanDerWaalsContact CE2-CG 3.5Å; Y655-E659 VanDerWaalsContact CZ-CG 3.44Å; Y655-E659 WeakPolarHBondContact O-CG 3.36Å; Y655-E659 PolarHBondContact O-N 3.05Å; Y655-Y727 AromaticContact CD1-CD1 3.41Å; Y655-Y727 HydrophobicContact CD1-CD1 3.41Å; Y655-Y727 VanDerWaalsContact CD1-CD1 3.41Å; Y655-Y727 AromaticContact CD1-CE1 3.65Å; Y655-Y727 HydrophobicContact CD1-CE1 3.65Å; Y655-Y727 HydrophobicContact CD1-CG 4.47Å; Y655-Y727 HydrophobicContact CD2-CD1 4.45Å; Y655-Y727 HydrophobicContact CE1-CD1 4.06Å; Y655-Y727 HydrophobicContact CE1-CE1 4.1Å; Y655-Y727 AromaticContact CG-CD1 3.64Å; Y655-Y727 HydrophobicContact CG-CD1 3.64Å; Y655-Y727 HydrophobicContact CG-CE1 4.33Å; Y655-Y727 HydrophobicContact CG-CG 4.38Å; Y655-K730 HydrophobicContact CD2-CB 3.91Å; Y655-K730 HydrophobicContact CE2-CB 3.57Å; Y655-K730 HydrophobicContact CE2-CD 3.86Å; Y655-K730 HydrophobicContact CE2-CG 4.31Å; Y655-I731 HydrophobicContact CD2-CG1 4.18Å |
| 656 | T | 94 | Very high | 89.9 | Confident | 15 Ų | 15 | 15.8 Ų | 15.8 | 9% | 0.092 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | V597 K601 A652 G653 L654 E659 C660 | V597-T656 WeakPolarHBondContact CG1-OG1 3.47Å; K601-T656 HydrophobicContact CB-CG2 3.57Å; K601-T656 HydrophobicContact CG-CG2 4.03Å; A652-T656 WeakPolarHBondContact O-CB 3.24Å; A652-T656 PolarHBondContact O-N 3.29Å; A652-T656 PolarHBondContact O-OG1 2.91Å; G653-T656 WeakPolarHBondContact O-CB 3.19Å; G653-T656 PolarHBondContact O-N 3.37Å; G653-T656 VanDerWaalsContact O-N 3.13Å; L654-T656 VanDerWaalsContact C-N 3.32Å; L654-T656 PolarHBondContact O-N 2.86Å; T656-E659 PolarHBondContact O-N 3.46Å; T656-C660 WeakPolarHBondContact O-CB 3.42Å; T656-C660 PolarHBondContact O-N 3.43Å; T656-C660 PolarHBondContact O-SG 3.36Å |
| 657 | V | 95.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.5 | -54.4 | 175.1 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | L604 V631 L634 G653 L654 Y655 E659 C660 F661 I677 | L604-V657 VanDerWaalsContact CD2-CA 3.47Å; L604-V657 HydrophobicContact CD2-CB 3.99Å; L604-V657 HydrophobicContact CD2-CG1 4.06Å; L604-V657 HydrophobicContact CD2-CG2 3.87Å; V631-V657 HydrophobicContact CG2-CG1 3.82Å; V631-V657 HydrophobicContact CG2-CG2 4.31Å; L634-V657 HydrophobicContact CD1-CG2 3.85Å; G653-V657 WeakPolarHBondContact O-CG2 3.24Å; G653-V657 PolarHBondContact O-N 3.11Å; L654-V657 WeakPolarHBondContact O-CB 3.37Å; L654-V657 PolarHBondContact O-N 3.07Å; Y655-V657 VanDerWaalsContact C-N 3.29Å; Y655-V657 PolarHBondContact O-N 3.17Å; V657-E659 VanDerWaalsContact C-N 3.31Å; V657-E659 PolarHBondContact O-N 3.33Å; V657-C660 PolarHBondContact O-N 3.01Å; V657-C660 VanDerWaalsContact O-N 3.14Å; V657-F661 HydrophobicContact CG1-CD2 3.82Å; V657-F661 HydrophobicContact CG1-CE2 3.82Å; V657-F661 WeakPolarHBondContact O-CD2 3.43Å; V657-F661 PolarHBondContact O-N 3.42Å; V657-I677 HydrophobicContact CG1-CD1 3.89Å |
| 658 | V | 92.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.1 | -43.9 | -179 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | L654 Y655 F661 Y662 F673 I677 I731 R734 L735 | L654-V658 WeakPolarHBondContact O-CG2 3.24Å; L654-V658 PolarHBondContact O-N 2.9Å; Y655-V658 PolarHBondContact O-N 3.18Å; V658-F661 PolarHBondContact O-N 3.47Å; V658-Y662 WeakPolarHBondContact O-CB 3.45Å; V658-Y662 PolarHBondContact O-N 2.98Å; V658-F673 HydrophobicContact CG1-CZ 4.26Å; V658-I677 HydrophobicContact CG2-CD1 4.33Å; V658-I677 HydrophobicContact CG2-CG1 4.24Å; V658-I731 HydrophobicContact CG2-CG1 4.36Å; V658-I731 HydrophobicContact CG2-CG2 4.26Å; V658-R734 HydrophobicContact CG1-CB 4.02Å; V658-R734 HydrophobicContact CG1-CG 3.88Å; V658-L735 HydrophobicContact CG1-CD2 4.27Å; V658-L735 HydrophobicContact CG1-CG 4.47Å; V658-L735 HydrophobicContact CG2-CD2 4.47Å |
| 659 | E | 90.5 | Very high | 86.2 | Confident | 6 Ų | 6 | 21.9 Ų | 21.9 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.1 | -38 | 177.4 | -75 | -69.1 | 124.7 | 0 | 0 | 113.1 | Y655 T656 V657 Y662 S663 R734 S853 L855 | Y655-E659 HydrophobicContact CD1-CG 4.46Å; Y655-E659 HydrophobicContact CD2-CG 4.07Å; Y655-E659 HydrophobicContact CE1-CG 3.96Å; Y655-E659 HydrophobicContact CE2-CG 3.5Å; Y655-E659 VanDerWaalsContact CE2-CG 3.5Å; Y655-E659 VanDerWaalsContact CZ-CG 3.44Å; Y655-E659 WeakPolarHBondContact O-CG 3.36Å; Y655-E659 PolarHBondContact O-N 3.05Å; T656-E659 PolarHBondContact O-N 3.46Å; V657-E659 VanDerWaalsContact C-N 3.31Å; V657-E659 PolarHBondContact O-N 3.33Å; E659-Y662 PolarHBondContact O-N 2.7Å; E659-S663 WeakPolarHBondContact O-CB 3.39Å; E659-S663 PolarHBondContact O-N 3.29Å; E659-S663 PolarHBondContact O-OG 2.9Å; E659-R734 IonicContact OE1-CZ 3.56Å; E659-R734 IonicContact OE1-NE 3.64Å; E659-R734 PolarHBondContact OE1-NE 3.29Å; E659-R734 IonicContact OE1-NH2 3.71Å; E659-R734 PolarHBondContact OE1-NH2 3.5Å; E659-R734 IonicContact OE2-NH2 2.6Å; E659-S853 VanDerWaalsContact OE2-CB 3.32Å; E659-S853 WeakPolarHBondContact OE2-CB 3.35Å; E659-S853 PolarHBondContact OE2-OG 3.1Å; E659-L855 HydrophobicContact CB-CD1 4.25Å |
| 660 | C | 93.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67 | -47.2 | 177.5 | -68.3 | 0 | 0 | 0 | 0 | 110.8 | L604 L608 T656 V657 Y662 S663 V664 | L604-C660 HydrophobicContact CD2-CB 3.55Å; L604-C660 HydrophobicContact CG-CB 3.97Å; L608-C660 HydrophobicContact CD1-CB 3.79Å; T656-C660 WeakPolarHBondContact O-CB 3.42Å; T656-C660 PolarHBondContact O-N 3.43Å; T656-C660 PolarHBondContact O-SG 3.36Å; V657-C660 PolarHBondContact O-N 3.01Å; V657-C660 VanDerWaalsContact O-N 3.14Å; C660-Y662 VanDerWaalsContact C-N 3.3Å; C660-Y662 PolarHBondContact O-N 3.2Å; C660-S663 WeakPolarHBondContact CA-OG 3.09Å; C660-S663 PolarHBondContact O-N 3.38Å; C660-S663 PolarHBondContact O-OG 3.29Å; C660-V664 WeakPolarHBondContact O-CG2 3.5Å; C660-V664 PolarHBondContact O-N 3.48Å; C660-V664 VanDerWaalsContact O-N 3.15Å |
| 661 | F | 93.3 | Very high | 84.5 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.013 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.1 | -45.1 | 174.3 | -88.8 | -102.6 | 0 | 0 | 0 | 111.5 | L604 L608 M611 H627 V657 V658 S663 V664 F665 F673 Q676 I677 | L604-F661 HydrophobicContact CD1-CE2 4.2Å; L608-F661 HydrophobicContact CD1-CD2 3.81Å; L608-F661 HydrophobicContact CD1-CE2 4.17Å; L608-F661 HydrophobicContact CD1-CG 4.17Å; L608-F661 HydrophobicContact CD2-CD1 4.1Å; L608-F661 HydrophobicContact CD2-CD2 4.05Å; L608-F661 HydrophobicContact CD2-CE1 3.79Å; L608-F661 HydrophobicContact CD2-CE2 3.76Å; L608-F661 HydrophobicContact CD2-CG 4.23Å; L608-F661 HydrophobicContact CD2-CZ 3.62Å; L608-F661 HydrophobicContact CG-CD2 4.49Å; L608-F661 HydrophobicContact CG-CE2 4.4Å; M611-F661 HydrophobicContact CE-CE1 4.18Å; H627-F661 HydrophobicContact CB-CZ 4.36Å; V657-F661 HydrophobicContact CG1-CD2 3.82Å; V657-F661 HydrophobicContact CG1-CE2 3.82Å; V657-F661 WeakPolarHBondContact O-CD2 3.43Å; V657-F661 PolarHBondContact O-N 3.42Å; V658-F661 PolarHBondContact O-N 3.47Å; F661-S663 PolarHBondContact O-N 3.29Å; F661-V664 PolarHBondContact O-N 3.11Å; F661-F665 AromaticContact CD1-CD2 3.87Å; F661-F665 HydrophobicContact CD1-CD2 3.87Å; F661-F665 AromaticContact CD1-CE2 3.81Å; F661-F665 HydrophobicContact CD1-CE2 3.81Å; F661-F665 HydrophobicContact CE1-CE2 4.15Å; F661-F665 WeakPolarHBondContact O-CD2 3.4Å; F661-F665 PolarHBondContact O-N 3.34Å; F661-F673 HydrophobicContact CB-CD2 4.18Å; F661-F673 HydrophobicContact CB-CE2 4.06Å; F661-Q676 HydrophobicContact CD1-CB 4.1Å; F661-Q676 HydrophobicContact CE1-CB 4.13Å; F661-I677 HydrophobicContact CB-CB 4.24Å; F661-I677 HydrophobicContact CB-CD1 4.16Å; F661-I677 HydrophobicContact CB-CG1 4.43Å; F661-I677 HydrophobicContact CD1-CB 4.11Å; F661-I677 HydrophobicContact CD1-CD1 4.2Å; F661-I677 HydrophobicContact CD2-CD1 3.75Å; F661-I677 HydrophobicContact CE2-CD1 4.13Å; F661-I677 HydrophobicContact CG-CB 4.24Å; F661-I677 HydrophobicContact CG-CD1 3.78Å; F661-I677 HydrophobicContact CG-CG1 4.43Å |
| 662 | Y | 87.7 | Confident | 83.8 | Confident | 53 Ų | 53 | 32.8 Ų | 32.8 | 21% | 0.208 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.8 | -49.3 | 176.3 | -177 | -93.7 | 0 | 0 | 0 | 111.4 | V658 E659 C660 V664 H666 F673 R734 | V658-Y662 WeakPolarHBondContact O-CB 3.45Å; V658-Y662 PolarHBondContact O-N 2.98Å; E659-Y662 PolarHBondContact O-N 2.7Å; C660-Y662 VanDerWaalsContact C-N 3.3Å; C660-Y662 PolarHBondContact O-N 3.2Å; Y662-V664 PolarHBondContact O-N 2.75Å; Y662-H666 HydrophobicContact CD1-CB 4.41Å; Y662-H666 HydrophobicContact CD2-CB 4.13Å; Y662-H666 AromaticContact CD2-CD2 3.88Å; Y662-H666 HydrophobicContact CE1-CB 4.31Å; Y662-H666 HydrophobicContact CE2-CB 4.08Å; Y662-H666 AromaticContact CE2-CD2 3.1Å; Y662-H666 WeakPolarHBondContact CE2-CD2 3.11Å; Y662-H666 AromaticContact CE2-CG 3.7Å; Y662-H666 AromaticContact CE2-NE2 3.83Å; Y662-H666 HydrophobicContact CG-CB 4.31Å; Y662-H666 AromaticContact CZ-CD2 3.33Å; Y662-H666 AromaticContact CZ-CG 3.63Å; Y662-H666 AromaticContact CZ-NE2 3.76Å; Y662-H666 WeakPolarHBondContact O-CB 3.23Å; Y662-H666 PolarHBondContact O-N 2.62Å; Y662-H666 PolarHBondContact OH-CD2 2.97Å; Y662-H666 PolarHBondContact OH-NE2 2.97Å; Y662-F673 VanDerWaalsContact CA-CD2 3.41Å; Y662-F673 HydrophobicContact CD2-CD1 4.08Å; Y662-F673 HydrophobicContact CD2-CD2 4.31Å; Y662-F673 AromaticContact CD2-CE1 3.94Å; Y662-F673 HydrophobicContact CD2-CE1 3.94Å; Y662-F673 HydrophobicContact CD2-CE2 4.17Å; Y662-F673 HydrophobicContact CD2-CG 4.25Å; Y662-F673 AromaticContact CD2-CZ 3.98Å; Y662-F673 HydrophobicContact CD2-CZ 3.98Å; Y662-F673 HydrophobicContact CG-CE2 4.44Å; Y662-R734 HydrophobicContact CD2-CG 4.11Å |
| 663 | S | 86.6 | Confident | 83.6 | Confident | 48 Ų | 48 | 32.4 Ų | 32.4 | 34% | 0.336 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.6 | -23.4 | -178.4 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | E659 C660 F661 | E659-S663 WeakPolarHBondContact O-CB 3.39Å; E659-S663 PolarHBondContact O-N 3.29Å; E659-S663 PolarHBondContact O-OG 2.9Å; C660-S663 WeakPolarHBondContact CA-OG 3.09Å; C660-S663 PolarHBondContact O-N 3.38Å; C660-S663 PolarHBondContact O-OG 3.29Å; F661-S663 PolarHBondContact O-N 3.29Å |
| 664 | V | 86.6 | Confident | 83 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -94.2 | -41.2 | -179.1 | 175.5 | 0 | 0 | 0 | 0 | 112.9 | L605 L608 L609 K612 C660 F661 Y662 | L605-V664 HydrophobicContact CD1-CG2 3.78Å; L608-V664 HydrophobicContact CB-CB 4.37Å; L608-V664 HydrophobicContact CB-CG1 4.25Å; L608-V664 HydrophobicContact CB-CG2 3.97Å; L608-V664 HydrophobicContact CD1-CG2 4.28Å; L609-V664 HydrophobicContact CD2-CG2 4.42Å; K612-V664 HydrophobicContact CB-CG1 4.33Å; K612-V664 HydrophobicContact CD-CG1 3.9Å; K612-V664 PolarHBondContact NZ-O 2.72Å; C660-V664 WeakPolarHBondContact O-CG2 3.5Å; C660-V664 PolarHBondContact O-N 3.48Å; C660-V664 VanDerWaalsContact O-N 3.15Å; F661-V664 PolarHBondContact O-N 3.11Å; Y662-V664 PolarHBondContact O-N 2.75Å |
| 665 | F | 84.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -101.9 | -16.6 | -173 | -65.1 | -67.3 | 0 | 0 | 0 | 114.8 | L608 M611 K612 F661 T667 D668 E672 F673 Q676 | L608-F665 HydrophobicContact CD2-CE2 3.76Å; L608-F665 HydrophobicContact CD2-CZ 4.34Å; M611-F665 HydrophobicContact CE-CE1 4.32Å; M611-F665 HydrophobicContact CE-CE2 3.49Å; M611-F665 VanDerWaalsContact CE-CE2 3.49Å; M611-F665 HydrophobicContact CE-CZ 3.21Å; K612-F665 HydrophobicContact CB-CE1 4.45Å; F661-F665 AromaticContact CD1-CD2 3.87Å; F661-F665 HydrophobicContact CD1-CD2 3.87Å; F661-F665 AromaticContact CD1-CE2 3.81Å; F661-F665 HydrophobicContact CD1-CE2 3.81Å; F661-F665 HydrophobicContact CE1-CE2 4.15Å; F661-F665 WeakPolarHBondContact O-CD2 3.4Å; F661-F665 PolarHBondContact O-N 3.34Å; F665-T667 PolarHBondContact O-N 3.02Å; F665-T667 VanDerWaalsContact O-N 3.14Å; F665-D668 PolarHBondContact O-N 2.82Å; F665-E672 HydrophobicContact CD1-CG 4.31Å; F665-F673 HydrophobicContact CB-CB 4.06Å; F665-Q676 HydrophobicContact CD1-CG 4.39Å; F665-Q676 HydrophobicContact CD2-CB 4.28Å; F665-Q676 HydrophobicContact CD2-CG 4.37Å; F665-Q676 HydrophobicContact CE1-CG 4.47Å; F665-Q676 HydrophobicContact CE2-CB 4.38Å; F665-Q676 HydrophobicContact CE2-CG 4.4Å; F665-Q676 HydrophobicContact CG-CG 4.38Å |
| 666 | H | 74.1 | Confident | 82.2 | Confident | 75 Ų | 75 | 38.8 Ų | 38.8 | 35% | 0.347 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -63.3 | -23.1 | -179.1 | -177.3 | -83.3 | 0 | 0 | 0 | 113.1 | Y662 D668 G669 | Y662-H666 HydrophobicContact CD1-CB 4.41Å; Y662-H666 HydrophobicContact CD2-CB 4.13Å; Y662-H666 AromaticContact CD2-CD2 3.88Å; Y662-H666 HydrophobicContact CE1-CB 4.31Å; Y662-H666 HydrophobicContact CE2-CB 4.08Å; Y662-H666 AromaticContact CE2-CD2 3.1Å; Y662-H666 WeakPolarHBondContact CE2-CD2 3.11Å; Y662-H666 AromaticContact CE2-CG 3.7Å; Y662-H666 AromaticContact CE2-NE2 3.83Å; Y662-H666 HydrophobicContact CG-CB 4.31Å; Y662-H666 AromaticContact CZ-CD2 3.33Å; Y662-H666 AromaticContact CZ-CG 3.63Å; Y662-H666 AromaticContact CZ-NE2 3.76Å; Y662-H666 WeakPolarHBondContact O-CB 3.23Å; Y662-H666 PolarHBondContact O-N 2.62Å; Y662-H666 PolarHBondContact OH-CD2 2.97Å; Y662-H666 PolarHBondContact OH-NE2 2.97Å; H666-D668 PolarHBondContact O-N 3.14Å; H666-G669 PolarHBondContact O-N 3.4Å |
| 667 | T | 67.2 | Low | 82 | Confident | 102 Ų | 102 | 38.1 Ų | 38.1 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -61.5 | -26 | 179.1 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | K612 F665 | K612-T667 PolarHBondContact NZ-OG1 2.87Å; F665-T667 PolarHBondContact O-N 3.02Å; F665-T667 VanDerWaalsContact O-N 3.14Å |
| 668 | D | 58.6 | Low | 81.6 | Confident | 82 Ų | 82 | 38.6 Ų | 38.6 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -102.8 | 1.4 | -170.1 | -52.3 | -18.1 | 0 | 0 | 0 | 111.5 | K612 F665 H666 E672 | K612-D668 WeakPolarHBondContact CE-OD2 3.05Å; K612-D668 IonicContact NZ-OD1 2.98Å; K612-D668 PolarHBondContact NZ-OD1 3.03Å; K612-D668 IonicContact NZ-OD2 2.72Å; K612-D668 PolarHBondContact NZ-OD2 3.35Å; F665-D668 PolarHBondContact O-N 2.82Å; H666-D668 PolarHBondContact O-N 3.14Å; D668-E672 WeakPolarHBondContact CB-OE2 3.38Å |
| 669 | G | 62.7 | Low | 81.3 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | trans | 125.1 | 148.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H666 S671 E672 F673 | H666-G669 PolarHBondContact O-N 3.4Å; G669-S671 PolarHBondContact O-N 3.43Å; G669-E672 PolarHBondContact O-N 2.96Å; G669-F673 PolarHBondContact O-N 3.44Å | ||
| 670 | Y | 68.3 | Low | 81.2 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 29% | 0.286 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.6 | -33.1 | 177.6 | -173.3 | -98.7 | 0 | 0 | 0 | 112 | E672 F673 T674 R734 | Y670-E672 PolarHBondContact O-N 2.64Å; Y670-F673 HydrophobicContact CD2-CD1 4.27Å; Y670-F673 HydrophobicContact CE2-CD1 4.18Å; Y670-F673 HydrophobicContact CE2-CE1 4.25Å; Y670-T674 VanDerWaalsContact CE1-OG1 3.31Å; Y670-T674 WeakPolarHBondContact CE1-OG1 3.16Å; Y670-T674 WeakPolarHBondContact O-CB 3.42Å; Y670-T674 PolarHBondContact O-N 3Å; Y670-T674 PolarHBondContact O-OG1 3.02Å; Y670-R734 PolarHBondContact OH-O 2.93Å; Y670-R734 VanDerWaalsContact OH-O 3.06Å |
| 671 | S | 74.1 | Confident | 81 | Confident | 94 Ų | 94 | 40.7 Ų | 40.7 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.7 | -43.1 | 179 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | G669 A675 | G669-S671 PolarHBondContact O-N 3.43Å; S671-A675 VanDerWaalsContact O-CB 3.27Å; S671-A675 WeakPolarHBondContact O-CB 3.38Å; S671-A675 PolarHBondContact O-N 3.16Å |
| 672 | E | 79.5 | Confident | 80.6 | Confident | 67 Ų | 67 | 42 Ų | 42 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.4 | -46.6 | -179.9 | -174.3 | 175 | 171.7 | 0 | 0 | 111.3 | F665 D668 G669 Y670 T674 A675 Q676 | F665-E672 HydrophobicContact CD1-CG 4.31Å; D668-E672 WeakPolarHBondContact CB-OE2 3.38Å; G669-E672 PolarHBondContact O-N 2.96Å; Y670-E672 PolarHBondContact O-N 2.64Å; E672-T674 VanDerWaalsContact C-N 3.33Å; E672-T674 PolarHBondContact O-N 3.44Å; E672-A675 PolarHBondContact O-N 2.83Å; E672-Q676 HydrophobicContact CG-CG 4.27Å; E672-Q676 VanDerWaalsContact O-CG 3.31Å; E672-Q676 WeakPolarHBondContact O-CG 3.24Å; E672-Q676 PolarHBondContact O-N 3.41Å |
| 673 | F | 85.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -51.6 | -53.3 | 173.2 | 157.1 | -109 | 0 | 0 | 0 | 111.2 | V658 F661 Y662 F665 G669 Y670 A675 Q676 I677 R734 L735 | V658-F673 HydrophobicContact CG1-CZ 4.26Å; F661-F673 HydrophobicContact CB-CD2 4.18Å; F661-F673 HydrophobicContact CB-CE2 4.06Å; Y662-F673 VanDerWaalsContact CA-CD2 3.41Å; Y662-F673 HydrophobicContact CD2-CD1 4.08Å; Y662-F673 HydrophobicContact CD2-CD2 4.31Å; Y662-F673 AromaticContact CD2-CE1 3.94Å; Y662-F673 HydrophobicContact CD2-CE1 3.94Å; Y662-F673 HydrophobicContact CD2-CE2 4.17Å; Y662-F673 HydrophobicContact CD2-CG 4.25Å; Y662-F673 AromaticContact CD2-CZ 3.98Å; Y662-F673 HydrophobicContact CD2-CZ 3.98Å; Y662-F673 HydrophobicContact CG-CE2 4.44Å; F665-F673 HydrophobicContact CB-CB 4.06Å; G669-F673 PolarHBondContact O-N 3.44Å; Y670-F673 HydrophobicContact CD2-CD1 4.27Å; Y670-F673 HydrophobicContact CE2-CD1 4.18Å; Y670-F673 HydrophobicContact CE2-CE1 4.25Å; F673-A675 PolarHBondContact O-N 3.49Å; F673-Q676 PolarHBondContact O-N 3.02Å; F673-I677 HydrophobicContact CD2-CG2 4.27Å; F673-I677 HydrophobicContact CE1-CG2 4.47Å; F673-I677 HydrophobicContact CE2-CB 4.21Å; F673-I677 HydrophobicContact CE2-CG2 3.85Å; F673-I677 HydrophobicContact CZ-CG2 3.97Å; F673-I677 WeakPolarHBondContact O-CG2 3.23Å; F673-I677 PolarHBondContact O-N 3.5Å; F673-R734 HydrophobicContact CE1-CG 4.35Å; F673-R734 HydrophobicContact CZ-CG 3.98Å; F673-L735 HydrophobicContact CZ-CD2 4.42Å |
| 674 | T | 80.4 | Confident | 80.6 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 15% | 0.147 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | -178.3 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | Y670 E672 M678 | Y670-T674 VanDerWaalsContact CE1-OG1 3.31Å; Y670-T674 WeakPolarHBondContact CE1-OG1 3.16Å; Y670-T674 WeakPolarHBondContact O-CB 3.42Å; Y670-T674 PolarHBondContact O-N 3Å; Y670-T674 PolarHBondContact O-OG1 3.02Å; E672-T674 VanDerWaalsContact C-N 3.33Å; E672-T674 PolarHBondContact O-N 3.44Å; T674-M678 HydrophobicContact CG2-CG 3.8Å; T674-M678 WeakPolarHBondContact O-CB 3.16Å; T674-M678 WeakPolarHBondContact O-CG 3.26Å; T674-M678 PolarHBondContact O-N 3.13Å |
| 675 | A | 82.8 | Confident | 80.5 | Confident | 66 Ų | 66 | 41.2 Ų | 41.2 | 55% | 0.545 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S671 E672 F673 G679 | S671-A675 VanDerWaalsContact O-CB 3.27Å; S671-A675 WeakPolarHBondContact O-CB 3.38Å; S671-A675 PolarHBondContact O-N 3.16Å; E672-A675 PolarHBondContact O-N 2.83Å; F673-A675 PolarHBondContact O-N 3.49Å; A675-G679 PolarHBondContact O-N 3.19Å |
| 676 | Q | 86.6 | Confident | 80.2 | Confident | 64 Ų | 64 | 46.3 Ų | 46.3 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67 | -49.1 | -178 | -65.3 | -66.9 | -12.2 | 0 | 0 | 112.2 | F661 F665 E672 F673 C680 | F661-Q676 HydrophobicContact CD1-CB 4.1Å; F661-Q676 HydrophobicContact CE1-CB 4.13Å; F665-Q676 HydrophobicContact CD1-CG 4.39Å; F665-Q676 HydrophobicContact CD2-CB 4.28Å; F665-Q676 HydrophobicContact CD2-CG 4.37Å; F665-Q676 HydrophobicContact CE1-CG 4.47Å; F665-Q676 HydrophobicContact CE2-CB 4.38Å; F665-Q676 HydrophobicContact CE2-CG 4.4Å; F665-Q676 HydrophobicContact CG-CG 4.38Å; E672-Q676 HydrophobicContact CG-CG 4.27Å; E672-Q676 VanDerWaalsContact O-CG 3.31Å; E672-Q676 WeakPolarHBondContact O-CG 3.24Å; E672-Q676 PolarHBondContact O-N 3.41Å; F673-Q676 PolarHBondContact O-N 3.02Å; Q676-C680 WeakPolarHBondContact O-CB 3.25Å; Q676-C680 PolarHBondContact O-N 2.86Å |
| 677 | I | 90.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.1 | -40.7 | -177.8 | -169.9 | 55.8 | 0 | 0 | 0 | 111.9 | V657 V658 F661 F673 C680 L681 L735 | V657-I677 HydrophobicContact CG1-CD1 3.89Å; V658-I677 HydrophobicContact CG2-CD1 4.33Å; V658-I677 HydrophobicContact CG2-CG1 4.24Å; F661-I677 HydrophobicContact CB-CB 4.24Å; F661-I677 HydrophobicContact CB-CD1 4.16Å; F661-I677 HydrophobicContact CB-CG1 4.43Å; F661-I677 HydrophobicContact CD1-CB 4.11Å; F661-I677 HydrophobicContact CD1-CD1 4.2Å; F661-I677 HydrophobicContact CD2-CD1 3.75Å; F661-I677 HydrophobicContact CE2-CD1 4.13Å; F661-I677 HydrophobicContact CG-CB 4.24Å; F661-I677 HydrophobicContact CG-CD1 3.78Å; F661-I677 HydrophobicContact CG-CG1 4.43Å; F673-I677 HydrophobicContact CD2-CG2 4.27Å; F673-I677 HydrophobicContact CE1-CG2 4.47Å; F673-I677 HydrophobicContact CE2-CB 4.21Å; F673-I677 HydrophobicContact CE2-CG2 3.85Å; F673-I677 HydrophobicContact CZ-CG2 3.97Å; F673-I677 WeakPolarHBondContact O-CG2 3.23Å; F673-I677 PolarHBondContact O-N 3.5Å; I677-C680 PolarHBondContact O-N 3.06Å; I677-L681 HydrophobicContact CD1-CD1 4.33Å; I677-L681 HydrophobicContact CD1-CG 4.21Å; I677-L681 HydrophobicContact CG1-CD1 3.88Å; I677-L681 HydrophobicContact CG1-CG 4.24Å; I677-L681 WeakPolarHBondContact O-CB 3.45Å; I677-L681 VanDerWaalsContact O-CG 3.29Å; I677-L681 WeakPolarHBondContact O-CG 3.39Å; I677-L681 PolarHBondContact O-N 3.23Å; I677-L735 HydrophobicContact CB-CD2 4.49Å; I677-L735 HydrophobicContact CG1-CD2 4Å; I677-L735 HydrophobicContact CG2-CD2 3.56Å |
| 678 | M | 86.6 | Confident | 80.9 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 6% | 0.064 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | 179.4 | -69.7 | -61.4 | -62.3 | 0 | 0 | 110.9 | T674 C680 L681 I682 T706 L709 L735 | T674-M678 HydrophobicContact CG2-CG 3.8Å; T674-M678 WeakPolarHBondContact O-CB 3.16Å; T674-M678 WeakPolarHBondContact O-CG 3.26Å; T674-M678 PolarHBondContact O-N 3.13Å; M678-C680 VanDerWaalsContact C-N 3.3Å; M678-C680 PolarHBondContact O-N 3.09Å; M678-L681 PolarHBondContact O-N 2.99Å; M678-L681 HydrophobicContact SD-CD1 4.33Å; M678-I682 HydrophobicContact CB-CD1 4.19Å; M678-I682 HydrophobicContact CE-CD1 4.15Å; M678-I682 HydrophobicContact CE-CG1 4.4Å; M678-I682 VanDerWaalsContact O-CB 3.28Å; M678-I682 WeakPolarHBondContact O-CB 3.22Å; M678-I682 VanDerWaalsContact O-CD1 3.29Å; M678-I682 WeakPolarHBondContact O-CD1 3.33Å; M678-I682 WeakPolarHBondContact O-CG1 3.23Å; M678-I682 PolarHBondContact O-N 3.42Å; M678-T706 HydrophobicContact CE-CG2 3.82Å; M678-L709 HydrophobicContact CE-CD2 4.37Å; M678-L735 HydrophobicContact SD-CD1 4.36Å; M678-L735 HydrophobicContact SD-CD2 4.08Å |
| 679 | G | 85.6 | Confident | 80.8 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.9 | -47.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A675 E683 | A675-G679 PolarHBondContact O-N 3.19Å; G679-E683 WeakPolarHBondContact O-CB 3.44Å; G679-E683 PolarHBondContact O-N 2.7Å |
| 680 | C | 90 | Very high | 80.3 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 178 | -175.1 | 0 | 0 | 0 | 0 | 113.1 | Q676 I677 M678 A684 | Q676-C680 WeakPolarHBondContact O-CB 3.25Å; Q676-C680 PolarHBondContact O-N 2.86Å; I677-C680 PolarHBondContact O-N 3.06Å; M678-C680 VanDerWaalsContact C-N 3.3Å; M678-C680 PolarHBondContact O-N 3.09Å; C680-A684 VanDerWaalsContact O-CB 3.28Å; C680-A684 WeakPolarHBondContact O-CB 3.33Å; C680-A684 PolarHBondContact O-N 3.24Å |
| 681 | L | 89.3 | Confident | 79.3 | Confident | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 178.8 | -72.8 | 170.7 | 0 | 0 | 0 | 111.9 | V631 M635 I677 M678 A684 A685 L709 L735 | V631-L681 HydrophobicContact CG1-CD2 3.78Å; M635-L681 HydrophobicContact CE-CB 4.18Å; M635-L681 HydrophobicContact CE-CD2 3.61Å; M635-L681 WeakPolarHBondContact CE-O 3.32Å; I677-L681 HydrophobicContact CD1-CD1 4.33Å; I677-L681 HydrophobicContact CD1-CG 4.21Å; I677-L681 HydrophobicContact CG1-CD1 3.88Å; I677-L681 HydrophobicContact CG1-CG 4.24Å; I677-L681 WeakPolarHBondContact O-CB 3.45Å; I677-L681 VanDerWaalsContact O-CG 3.29Å; I677-L681 WeakPolarHBondContact O-CG 3.39Å; I677-L681 PolarHBondContact O-N 3.23Å; M678-L681 PolarHBondContact O-N 2.99Å; M678-L681 HydrophobicContact SD-CD1 4.33Å; L681-A684 PolarHBondContact O-N 2.69Å; L681-A685 VanDerWaalsContact O-CB 3.26Å; L681-A685 WeakPolarHBondContact O-CB 3.33Å; L681-A685 PolarHBondContact O-N 3.21Å; L681-L709 HydrophobicContact CB-CD1 4.42Å; L681-L709 HydrophobicContact CD1-CD2 4.23Å; L681-L709 HydrophobicContact CD2-CD1 4.48Å; L681-L735 HydrophobicContact CD1-CD1 3.59Å; L681-L735 HydrophobicContact CD1-CD2 4.03Å; L681-L735 HydrophobicContact CD1-CG 4.48Å |
| 682 | I | 83.9 | Confident | 77.9 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.4 | -48.6 | -179.4 | -67.4 | 161.1 | 0 | 0 | 0 | 110 | M678 A684 A685 Q686 | M678-I682 HydrophobicContact CB-CD1 4.19Å; M678-I682 HydrophobicContact CE-CD1 4.15Å; M678-I682 HydrophobicContact CE-CG1 4.4Å; M678-I682 VanDerWaalsContact O-CB 3.28Å; M678-I682 WeakPolarHBondContact O-CB 3.22Å; M678-I682 VanDerWaalsContact O-CD1 3.29Å; M678-I682 WeakPolarHBondContact O-CD1 3.33Å; M678-I682 WeakPolarHBondContact O-CG1 3.23Å; M678-I682 PolarHBondContact O-N 3.42Å; I682-A684 VanDerWaalsContact C-N 3.27Å; I682-A684 PolarHBondContact O-N 2.97Å; I682-A685 PolarHBondContact O-N 3.12Å; I682-A685 VanDerWaalsContact O-N 3.14Å; I682-Q686 HydrophobicContact CG2-CG 4.41Å; I682-Q686 WeakPolarHBondContact O-CG 3.29Å; I682-Q686 PolarHBondContact O-N 3.03Å |
| 683 | E | 86.4 | Confident | 76.3 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 179.4 | -163.3 | -163.5 | 138.3 | 0 | 0 | 111.7 | V628 G679 K687 | V628-E683 HydrophobicContact CG1-CB 4.18Å; V628-E683 HydrophobicContact CG1-CG 4.13Å; V628-E683 HydrophobicContact CG2-CB 4.3Å; G679-E683 WeakPolarHBondContact O-CB 3.44Å; G679-E683 PolarHBondContact O-N 2.7Å; E683-K687 WeakPolarHBondContact O-CG 3.49Å; E683-K687 IonicContact OE1-NZ 3.62Å; E683-K687 PolarHBondContact OE1-NZ 2.64Å |
| 684 | A | 89.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V628 V631 H632 M635 C680 L681 I682 K687 | V628-A684 HydrophobicContact CG1-CB 4.12Å; V631-A684 HydrophobicContact CB-CB 4.01Å; V631-A684 HydrophobicContact CG1-CB 3.57Å; H632-A684 HydrophobicContact CB-CB 4.07Å; H632-A684 PolarHBondContact ND1-O 3.44Å; M635-A684 HydrophobicContact CE-CB 3.97Å; C680-A684 VanDerWaalsContact O-CB 3.28Å; C680-A684 WeakPolarHBondContact O-CB 3.33Å; C680-A684 PolarHBondContact O-N 3.24Å; L681-A684 PolarHBondContact O-N 2.69Å; I682-A684 VanDerWaalsContact C-N 3.27Å; I682-A684 PolarHBondContact O-N 2.97Å; A684-K687 PolarHBondContact O-N 2.99Å |
| 685 | A | 83.4 | Confident | 72.7 | Confident | 7 Ų | 7 | 71.1 Ų | 71.1 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M635 L681 I682 K687 L688 E708 | M635-A685 HydrophobicContact CE-CB 4.38Å; M635-A685 HydrophobicContact SD-CB 4.17Å; L681-A685 VanDerWaalsContact O-CB 3.26Å; L681-A685 WeakPolarHBondContact O-CB 3.33Å; L681-A685 PolarHBondContact O-N 3.21Å; I682-A685 PolarHBondContact O-N 3.12Å; I682-A685 VanDerWaalsContact O-N 3.14Å; A685-K687 PolarHBondContact O-N 3.18Å; A685-K687 VanDerWaalsContact O-N 3.12Å; A685-L688 WeakPolarHBondContact O-CB 3.37Å; A685-L688 PolarHBondContact O-N 3.49Å; A685-E708 HydrophobicContact CB-CB 4.21Å |
| 686 | Q | 79.8 | Confident | 71 | Confident | 112 Ų | 112 | 71.6 Ų | 71.6 | 52% | 0.523 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.8 | -26.3 | 176.9 | -73.6 | 175 | -12.9 | 0 | 0 | 112.8 | I682 L688 E708 | I682-Q686 HydrophobicContact CG2-CG 4.41Å; I682-Q686 WeakPolarHBondContact O-CG 3.29Å; I682-Q686 PolarHBondContact O-N 3.03Å; Q686-L688 VanDerWaalsContact C-N 3.27Å; Q686-L688 PolarHBondContact O-N 3.19Å; Q686-E708 WeakPolarHBondContact CA-OE2 3.15Å; Q686-E708 WeakPolarHBondContact CG-OE2 3.23Å; Q686-E708 PolarHBondContact N-OE2 3.28Å |
| 687 | K | 79.6 | Confident | 69.2 | Low | 100 Ų | 100 | 75.1 Ų | 75.1 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -10 | 174.7 | -68.7 | 173 | -172.9 | 169 | 0 | 113.2 | V628 E683 A684 A685 H689 | V628-K687 HydrophobicContact CG1-CD 4.34Å; E683-K687 WeakPolarHBondContact O-CG 3.49Å; E683-K687 IonicContact OE1-NZ 3.62Å; E683-K687 PolarHBondContact OE1-NZ 2.64Å; A684-K687 PolarHBondContact O-N 2.99Å; A685-K687 PolarHBondContact O-N 3.18Å; A685-K687 VanDerWaalsContact O-N 3.12Å; K687-H689 PolarHBondContact O-N 3.41Å |
| 688 | L | 74.7 | Confident | 67.3 | Low | 38 Ų | 38 | 79.9 Ų | 79.9 | 20% | 0.199 | 41% | 0.405 | C | S | . | . | trans | -86.1 | 91.4 | 171.8 | -79.3 | 120.9 | 0 | 0 | 0 | 110.5 | M635 T636 A685 Q686 R690 L712 | M635-L688 HydrophobicContact CB-CD1 3.73Å; M635-L688 HydrophobicContact SD-CD1 4Å; T636-L688 HydrophobicContact CG2-CD2 4.39Å; A685-L688 WeakPolarHBondContact O-CB 3.37Å; A685-L688 PolarHBondContact O-N 3.49Å; Q686-L688 VanDerWaalsContact C-N 3.27Å; Q686-L688 PolarHBondContact O-N 3.19Å; L688-R690 PolarHBondContact O-N 3.35Å; L688-L712 HydrophobicContact CD1-CD1 4.47Å | ||
| 689 | H | 56.9 | Low | 65.5 | Low | 192 Ų | 192 | 81 Ų | 81 | 89% | 0.889 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 7.1 | 178 | -77.9 | -45.5 | 0 | 0 | 0 | 116.7 | K687 | K687-H689 PolarHBondContact O-N 3.41Š|
| 690 | R | 52.2 | Low | 63.9 | Low | 239 Ų | 239 | 84.6 Ų | 84.6 | 90% | 0.902 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | 1.1 | -163.8 | -86.2 | -170.6 | -177.3 | -179.5 | 1.8 | 117.5 | L688 S692 | L688-R690 PolarHBondContact O-N 3.35Å; R690-S692 PolarHBondContact O-N 2.84Å |
| 691 | I | 48.7 | Very low | 62 | Low | 62 Ų | 62 | 85 Ų | 85 | 32% | 0.318 | 42% | 0.417 | S | S | . | . | trans | -93.6 | 108.2 | 177.5 | -52 | 179.5 | 0 | 0 | 0 | 107.6 | S693 P711 L712 | I691-S693 PolarHBondContact O-N 3.47Å; I691-P711 HydrophobicContact CG2-CB 4.19Å; I691-L712 HydrophobicContact CD1-CB 4.09Å; I691-L712 HydrophobicContact CD1-CD1 3.64Å; I691-L712 HydrophobicContact CD1-CG 4.45Å | ||
| 692 | S | 44.2 | Very low | 60.3 | Low | 103 Ų | 103 | 90.8 Ų | 90.8 | 72% | 0.72 | 45% | 0.447 | S | S | * | . | trans | -49 | 113.8 | 169.5 | 49.6 | 0 | 0 | 0 | 0 | 108.6 | R690 F694 | R690-S692 PolarHBondContact O-N 2.84Å; S692-F694 PolarHBondContact O-N 2.72Å | ||
| 693 | S | 46.3 | Very low | 58.7 | Low | 75 Ų | 75 | 90.7 Ų | 90.7 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | trans | -52.7 | 131.4 | 167.5 | 48.7 | 0 | 0 | 0 | 0 | 108.2 | I691 N695 | I691-S693 PolarHBondContact O-N 3.47Å; S693-N695 PolarHBondContact O-N 2.72Å; S693-N695 PolarHBondContact O-OD1 2.85Å; S693-N695 PolarHBondContact OG-OD1 3.35Å; S693-N695 VanDerWaalsContact OG-OD1 3.09Å | ||
| 694 | F | 43.6 | Very low | 56.9 | Low | 115 Ų | 115 | 92.5 Ų | 92.5 | 50% | 0.504 | 47% | 0.474 | S | S | . | . | trans | -58.2 | 104.5 | 167.2 | -86.8 | -88 | 0 | 0 | 0 | 107.2 | S692 D696 F699 P711 | S692-F694 PolarHBondContact O-N 2.72Å; F694-D696 PolarHBondContact O-N 2.65Å; F694-F699 HydrophobicContact CB-CB 4.29Å; F694-F699 HydrophobicContact CD1-CD1 4.46Å; F694-P711 HydrophobicContact CD2-CB 4.38Å; F694-P711 HydrophobicContact CD2-CG 3.7Å; F694-P711 HydrophobicContact CE2-CB 3.88Å; F694-P711 HydrophobicContact CE2-CG 3.66Å | ||
| 695 | N | 46.5 | Very low | 55.3 | Low | 140 Ų | 140 | 94.9 Ų | 94.9 | 75% | 0.749 | 49% | 0.491 | S | S | * | . | trans | -77.5 | 0.5 | -179.3 | -77.7 | -7.3 | 0 | 0 | 0 | 112.8 | S693 E697 | S693-N695 PolarHBondContact O-N 2.72Å; S693-N695 PolarHBondContact O-OD1 2.85Å; S693-N695 PolarHBondContact OG-OD1 3.35Å; S693-N695 VanDerWaalsContact OG-OD1 3.09Å; N695-E697 PolarHBondContact O-N 2.7Å | ||
| 696 | D | 46.3 | Very low | 54.2 | Low | 77 Ų | 77 | 94.7 Ų | 94.7 | 41% | 0.412 | 49% | 0.488 | S | S | . | . | trans | -80.9 | 113.3 | -179.2 | -157.8 | -17.4 | 0 | 0 | 0 | 108.9 | F694 N698 F699 | F694-D696 PolarHBondContact O-N 2.65Å; D696-N698 PolarHBondContact O-N 2.97Å; D696-F699 HydrophobicContact CB-CB 4.47Å; D696-F699 HydrophobicContact CB-CD2 3.5Å; D696-F699 VanDerWaalsContact CB-CD2 3.5Å; D696-F699 HydrophobicContact CB-CE2 4.02Å; D696-F699 HydrophobicContact CB-CG 4.28Å; D696-F699 WeakPolarHBondContact O-CB 3.49Å; D696-F699 PolarHBondContact O-N 2.76Å; D696-F699 WeakPolarHBondContact OD2-CE2 3.37Å | ||
| 697 | E | 50.1 | Low | 53.4 | Low | 137 Ų | 137 | 91 Ų | 91 | 64% | 0.64 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -52.9 | -29.5 | -176 | -79.6 | -87 | 124.9 | 0 | 0 | 112.4 | N695 F699 K700 | N695-E697 PolarHBondContact O-N 2.7Å; E697-F699 PolarHBondContact O-N 3.07Å; E697-K700 IonicContact OE1-NZ 3.38Å; E697-K700 PolarHBondContact OE1-NZ 3.42Å |
| 698 | N | 49.4 | Very low | 52.9 | Low | 100 Ų | 100 | 89.9 Ų | 89.9 | 54% | 0.535 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -69.4 | -13.8 | 176.9 | -68.8 | -43 | 0 | 0 | 0 | 114.2 | D696 | D696-N698 PolarHBondContact O-N 2.97Š|
| 699 | F | 49.2 | Very low | 53 | Low | 38 Ų | 38 | 88.3 Ų | 88.3 | 17% | 0.167 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -110.8 | -1.9 | -171 | -70.4 | -107.7 | 0 | 0 | 0 | 113.7 | F694 D696 E697 P701 Y745 K748 | F694-F699 HydrophobicContact CB-CB 4.29Å; F694-F699 HydrophobicContact CD1-CD1 4.46Å; D696-F699 HydrophobicContact CB-CB 4.47Å; D696-F699 HydrophobicContact CB-CD2 3.5Å; D696-F699 VanDerWaalsContact CB-CD2 3.5Å; D696-F699 HydrophobicContact CB-CE2 4.02Å; D696-F699 HydrophobicContact CB-CG 4.28Å; D696-F699 WeakPolarHBondContact O-CB 3.49Å; D696-F699 PolarHBondContact O-N 2.76Å; D696-F699 WeakPolarHBondContact OD2-CE2 3.37Å; E697-F699 PolarHBondContact O-N 3.07Å; F699-P701 VanDerWaalsContact O-CD 3.25Å; F699-P701 WeakPolarHBondContact O-CD 3.3Å; F699-Y745 AromaticContact CD1-CD2 3.42Å; F699-Y745 HydrophobicContact CD1-CD2 3.42Å; F699-Y745 VanDerWaalsContact CD1-CD2 3.42Å; F699-Y745 AromaticContact CD1-CE2 3.17Å; F699-Y745 HydrophobicContact CD1-CE2 3.17Å; F699-Y745 HydrophobicContact CD1-CG 4.41Å; F699-Y745 AromaticContact CD1-CZ 3.94Å; F699-Y745 AromaticContact CE1-CD2 3.61Å; F699-Y745 HydrophobicContact CE1-CD2 3.61Å; F699-Y745 AromaticContact CE1-CE2 3.21Å; F699-Y745 HydrophobicContact CE1-CE2 3.21Å; F699-Y745 HydrophobicContact CG-CD2 4.19Å; F699-Y745 HydrophobicContact CG-CE2 4.31Å; F699-Y745 HydrophobicContact CZ-CD2 4.47Å; F699-Y745 HydrophobicContact CZ-CE2 4.35Å; F699-K748 HydrophobicContact CZ-CD 4.32Å |
| 700 | K | 52.7 | Low | 54.1 | Low | 111 Ų | 111 | 80 Ų | 80 | 48% | 0.483 | 43% | 0.426 | S | S | . | . | trans | -66 | 119.3 | 176.7 | -77.8 | 177.4 | 179.7 | 165.4 | 0 | 109.8 | E697 | E697-K700 IonicContact OE1-NZ 3.38Å; E697-K700 PolarHBondContact OE1-NZ 3.42Å | ||
| 701 | P | 50.8 | Low | 55.3 | Low | 18 Ų | 18 | 69.6 Ų | 69.6 | 12% | 0.117 | 39% | 0.389 | C | S | . | . | trans | -59.4 | 156.7 | 168.6 | 20.4 | -25.7 | 0 | 0 | 0 | 110.4 | F699 G703 T706 L741 | F699-P701 VanDerWaalsContact O-CD 3.25Å; F699-P701 WeakPolarHBondContact O-CD 3.3Å; P701-G703 PolarHBondContact O-N 3.5Å; P701-T706 WeakPolarHBondContact CB-OG1 3.11Å; P701-L741 HydrophobicContact CB-CD2 4.4Å | ||
| 702 | I | 53.4 | Low | 56.9 | Low | 127 Ų | 127 | 66.9 Ų | 66.9 | 65% | 0.651 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -61.5 | -19.6 | -172.7 | -59.4 | 169.1 | 0 | 0 | 0 | 111.5 | Q740 | I702-Q740 PolarHBondContact N-O 2.93Š|
| 703 | G | 49.8 | Very low | 58.8 | Low | 28 Ų | 28 | 62.1 Ų | 62.1 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -120.5 | 140.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P701 S705 | P701-G703 PolarHBondContact O-N 3.5Å; G703-S705 PolarHBondContact O-N 3.32Å |
| 704 | C | 49 | Very low | 60.8 | Low | 123 Ų | 123 | 60.3 Ų | 60.3 | 83% | 0.831 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.5 | 179.1 | -162.1 | 0 | 0 | 0 | 0 | 113.6 | S707 | C704-S707 PolarHBondContact O-OG 3.15Å; C704-S707 VanDerWaalsContact O-OG 3.06Å |
| 705 | S | 54.9 | Low | 62.8 | Low | 51 Ų | 51 | 56.2 Ų | 56.2 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -20.5 | -172.4 | 54.4 | 0 | 0 | 0 | 0 | 115.8 | G703 | G703-S705 PolarHBondContact O-N 3.32Š|
| 706 | T | 60.1 | Low | 64.7 | Low | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -94.7 | -9.4 | -179.8 | 30.6 | 0 | 0 | 0 | 0 | 114.8 | M678 P701 E708 L709 L710 Q740 | M678-T706 HydrophobicContact CE-CG2 3.82Å; P701-T706 WeakPolarHBondContact CB-OG1 3.11Å; T706-E708 PolarHBondContact O-N 3.23Å; T706-L709 PolarHBondContact O-N 3.06Å; T706-L710 PolarHBondContact O-N 2.77Å; T706-Q740 PolarHBondContact OG1-OE1 3.07Å |
| 707 | S | 62.4 | Low | 66.6 | Low | 36 Ų | 36 | 46.2 Ų | 46.2 | 25% | 0.252 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.7 | -177.6 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | C704 P711 | C704-S707 PolarHBondContact O-OG 3.15Å; C704-S707 VanDerWaalsContact O-OG 3.06Å; S707-P711 WeakPolarHBondContact O-CD 3.45Å; S707-P711 WeakPolarHBondContact O-CG 3.06Å |
| 708 | E | 69.2 | Low | 68.3 | Low | 76 Ų | 76 | 43.7 Ų | 43.7 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -30.4 | -179.6 | -64.1 | 178.6 | 173.8 | 0 | 0 | 113 | A685 Q686 T706 | A685-E708 HydrophobicContact CB-CB 4.21Å; Q686-E708 WeakPolarHBondContact CA-OE2 3.15Å; Q686-E708 WeakPolarHBondContact CG-OE2 3.23Å; Q686-E708 PolarHBondContact N-OE2 3.28Å; T706-E708 PolarHBondContact O-N 3.23Å |
| 709 | L | 78.1 | Confident | 70.1 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80.7 | -40.2 | -174.4 | -174.4 | 69.4 | 0 | 0 | 0 | 112.7 | M635 M678 L681 T706 L712 L713 L735 I737 | M635-L709 HydrophobicContact CE-CD1 4.04Å; M678-L709 HydrophobicContact CE-CD2 4.37Å; L681-L709 HydrophobicContact CB-CD1 4.42Å; L681-L709 HydrophobicContact CD1-CD2 4.23Å; L681-L709 HydrophobicContact CD2-CD1 4.48Å; T706-L709 PolarHBondContact O-N 3.06Å; L709-L712 PolarHBondContact O-N 3.45Å; L709-L713 HydrophobicContact CD1-CD1 4.42Å; L709-L713 HydrophobicContact CD1-CG 4.47Å; L709-L713 HydrophobicContact CD2-CD1 4.24Å; L709-L713 HydrophobicContact CG-CD1 3.93Å; L709-L713 HydrophobicContact CG-CG 4.32Å; L709-L713 PolarHBondContact O-N 3.24Å; L709-L735 HydrophobicContact CD2-CD1 4.39Å; L709-I737 HydrophobicContact CD2-CD1 3.92Å |
| 710 | L | 79.1 | Confident | 71.7 | Confident | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | -173.7 | -169.5 | 74.7 | 0 | 0 | 0 | 113.5 | T706 L712 L713 F714 L732 I737 L741 Y745 | T706-L710 PolarHBondContact O-N 2.77Å; L710-L712 VanDerWaalsContact C-N 3.26Å; L710-L712 PolarHBondContact O-N 3.19Å; L710-L713 PolarHBondContact O-N 3.07Å; L710-F714 HydrophobicContact CD1-CD1 4.2Å; L710-F714 HydrophobicContact CD1-CE1 3.71Å; L710-F714 HydrophobicContact CD1-CE2 4.31Å; L710-F714 HydrophobicContact CD1-CZ 3.78Å; L710-F714 HydrophobicContact CD2-CE2 4.13Å; L710-F714 HydrophobicContact CD2-CZ 4.29Å; L710-F714 HydrophobicContact CG-CD1 4.44Å; L710-F714 HydrophobicContact CG-CD2 4.29Å; L710-F714 HydrophobicContact CG-CE1 4.24Å; L710-F714 HydrophobicContact CG-CE2 4.07Å; L710-F714 HydrophobicContact CG-CG 4.48Å; L710-F714 HydrophobicContact CG-CZ 4.06Å; L710-F714 WeakPolarHBondContact O-CB 3.34Å; L710-F714 PolarHBondContact O-N 3.19Å; L710-L732 HydrophobicContact CD1-CD2 4.3Å; L710-I737 HydrophobicContact CD1-CG2 4.05Å; L710-L741 HydrophobicContact CD2-CD1 4.43Å; L710-L741 HydrophobicContact CD2-CD2 3.61Å; L710-Y745 HydrophobicContact CD2-CE1 3.9Å |
| 711 | P | 78.3 | Confident | 73.3 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 13% | 0.13 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.6 | -37.2 | 177.3 | -23.7 | 36.2 | 0 | 0 | 0 | 112.6 | I691 F694 S707 F714 T715 | I691-P711 HydrophobicContact CG2-CB 4.19Å; F694-P711 HydrophobicContact CD2-CB 4.38Å; F694-P711 HydrophobicContact CD2-CG 3.7Å; F694-P711 HydrophobicContact CE2-CB 3.88Å; F694-P711 HydrophobicContact CE2-CG 3.66Å; S707-P711 WeakPolarHBondContact O-CD 3.45Å; S707-P711 WeakPolarHBondContact O-CG 3.06Å; P711-F714 PolarHBondContact O-N 2.95Å; P711-T715 PolarHBondContact O-N 3.48Å; P711-T715 PolarHBondContact O-OG1 3.23Å |
| 712 | L | 82 | Confident | 74.7 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 178.5 | -172.7 | 133.5 | 0 | 0 | 0 | 110.8 | M635 V638 L654 L688 I691 L709 L710 T715 | M635-L712 HydrophobicContact CB-CD1 4.09Å; M635-L712 HydrophobicContact CB-CD2 4.38Å; M635-L712 HydrophobicContact CG-CD1 4.5Å; M635-L712 HydrophobicContact CG-CD2 4.09Å; M635-L712 HydrophobicContact SD-CD1 4.39Å; M635-L712 HydrophobicContact SD-CD2 4.26Å; V638-L712 HydrophobicContact CB-CD1 4.35Å; V638-L712 HydrophobicContact CB-CD2 3.87Å; V638-L712 HydrophobicContact CB-CG 3.9Å; V638-L712 HydrophobicContact CG1-CD2 3.92Å; V638-L712 HydrophobicContact CG1-CG 3.85Å; V638-L712 WeakPolarHBondContact CG1-O 3.43Å; V638-L712 HydrophobicContact CG2-CD2 4.36Å; L654-L712 HydrophobicContact CD1-CD2 4.5Å; L688-L712 HydrophobicContact CD1-CD1 4.47Å; I691-L712 HydrophobicContact CD1-CB 4.09Å; I691-L712 HydrophobicContact CD1-CD1 3.64Å; I691-L712 HydrophobicContact CD1-CG 4.45Å; L709-L712 PolarHBondContact O-N 3.45Å; L710-L712 VanDerWaalsContact C-N 3.26Å; L710-L712 PolarHBondContact O-N 3.19Å; L712-T715 VanDerWaalsContact O-CB 3.3Å; L712-T715 WeakPolarHBondContact O-CB 3.32Å; L712-T715 PolarHBondContact O-N 3.4Å |
| 713 | L | 84.9 | Confident | 76.2 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 176.1 | -66.5 | 177.1 | 0 | 0 | 0 | 112 | L709 L710 T715 G716 L717 V728 I731 L732 I737 | L709-L713 HydrophobicContact CD1-CD1 4.42Å; L709-L713 HydrophobicContact CD1-CG 4.47Å; L709-L713 HydrophobicContact CD2-CD1 4.24Å; L709-L713 HydrophobicContact CG-CD1 3.93Å; L709-L713 HydrophobicContact CG-CG 4.32Å; L709-L713 PolarHBondContact O-N 3.24Å; L710-L713 PolarHBondContact O-N 3.07Å; L713-T715 VanDerWaalsContact C-N 3.27Å; L713-T715 PolarHBondContact O-N 3.09Å; L713-G716 WeakPolarHBondContact O-CA 3.46Å; L713-G716 PolarHBondContact O-N 3.16Å; L713-L717 PolarHBondContact O-N 3.4Å; L713-V728 HydrophobicContact CB-CG1 4.15Å; L713-V728 VanDerWaalsContact O-CG1 3.32Å; L713-V728 WeakPolarHBondContact O-CG1 2.78Å; L713-I731 HydrophobicContact CD1-CG2 4.06Å; L713-I731 HydrophobicContact CD2-CG2 4.11Å; L713-L732 HydrophobicContact CB-CD2 4.2Å; L713-L732 HydrophobicContact CD1-CD2 3.63Å; L713-L732 HydrophobicContact CD1-CG 4.47Å; L713-I737 HydrophobicContact CD1-CD1 3.97Å |
| 714 | F | 86.4 | Confident | 78.1 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -29.1 | 176.9 | -78.9 | 6.4 | 0 | 0 | 0 | 113.2 | L710 P711 G716 L717 C718 L732 Y745 L749 | L710-F714 HydrophobicContact CD1-CD1 4.2Å; L710-F714 HydrophobicContact CD1-CE1 3.71Å; L710-F714 HydrophobicContact CD1-CE2 4.31Å; L710-F714 HydrophobicContact CD1-CZ 3.78Å; L710-F714 HydrophobicContact CD2-CE2 4.13Å; L710-F714 HydrophobicContact CD2-CZ 4.29Å; L710-F714 HydrophobicContact CG-CD1 4.44Å; L710-F714 HydrophobicContact CG-CD2 4.29Å; L710-F714 HydrophobicContact CG-CE1 4.24Å; L710-F714 HydrophobicContact CG-CE2 4.07Å; L710-F714 HydrophobicContact CG-CG 4.48Å; L710-F714 HydrophobicContact CG-CZ 4.06Å; L710-F714 WeakPolarHBondContact O-CB 3.34Å; L710-F714 PolarHBondContact O-N 3.19Å; P711-F714 PolarHBondContact O-N 2.95Å; F714-G716 PolarHBondContact O-N 2.9Å; F714-L717 HydrophobicContact CD1-CD1 3.58Å; F714-L717 HydrophobicContact CD1-CG 4.37Å; F714-L717 HydrophobicContact CE1-CD1 3.86Å; F714-L717 HydrophobicContact CG-CD1 4.31Å; F714-L717 WeakPolarHBondContact O-CB 3.03Å; F714-L717 PolarHBondContact O-N 3.01Å; F714-C718 PolarHBondContact O-N 2.95Å; F714-L732 HydrophobicContact CD1-CD1 4.49Å; F714-L732 HydrophobicContact CE1-CD1 4.05Å; F714-Y745 WeakPolarHBondContact CE2-OH 3.32Å; F714-L749 HydrophobicContact CE2-CD1 4.27Å; F714-L749 HydrophobicContact CE2-CD2 4.4Å; F714-L749 HydrophobicContact CZ-CD1 4.25Å |
| 715 | T | 85.6 | Confident | 80.1 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 18% | 0.184 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.4 | -37.1 | 168 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | Y639 P640 P711 L712 L713 C718 | Y639-T715 VanDerWaalsContact C-CG2 3.44Å; P640-T715 HydrophobicContact CG-CG2 4.08Å; P711-T715 PolarHBondContact O-N 3.48Å; P711-T715 PolarHBondContact O-OG1 3.23Å; L712-T715 VanDerWaalsContact O-CB 3.3Å; L712-T715 WeakPolarHBondContact O-CB 3.32Å; L712-T715 PolarHBondContact O-N 3.4Å; L713-T715 VanDerWaalsContact C-N 3.27Å; L713-T715 PolarHBondContact O-N 3.09Å; T715-C718 WeakPolarHBondContact O-CB 3.14Å; T715-C718 PolarHBondContact O-N 3.28Å |
| 716 | G | 86.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70 | -29.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L713 F714 C718 S719 | L713-G716 WeakPolarHBondContact O-CA 3.46Å; L713-G716 PolarHBondContact O-N 3.16Å; F714-G716 PolarHBondContact O-N 2.9Å; G716-C718 PolarHBondContact O-N 2.91Å; G716-S719 VanDerWaalsContact O-CB 3.22Å; G716-S719 WeakPolarHBondContact O-CB 3.19Å; G716-S719 PolarHBondContact O-N 3.4Å |
| 717 | L | 86.7 | Confident | 83.1 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -24.8 | 170.6 | -67.8 | -179.3 | 0 | 0 | 0 | 112.2 | L713 F714 S719 R725 V728 L732 D771 I772 | L713-L717 PolarHBondContact O-N 3.4Å; F714-L717 HydrophobicContact CD1-CD1 3.58Å; F714-L717 HydrophobicContact CD1-CG 4.37Å; F714-L717 HydrophobicContact CE1-CD1 3.86Å; F714-L717 HydrophobicContact CG-CD1 4.31Å; F714-L717 WeakPolarHBondContact O-CB 3.03Å; F714-L717 PolarHBondContact O-N 3.01Å; L717-S719 PolarHBondContact O-N 2.88Å; L717-R725 HydrophobicContact CD2-CB 4.46Å; L717-R725 WeakPolarHBondContact O-CD 3.14Å; L717-R725 WeakPolarHBondContact O-CG 3.48Å; L717-V728 HydrophobicContact CD2-CB 3.95Å; L717-V728 HydrophobicContact CD2-CG1 3.64Å; L717-V728 HydrophobicContact CG-CB 4.46Å; L717-V728 HydrophobicContact CG-CG1 3.76Å; L717-L732 HydrophobicContact CD1-CD1 4.47Å; L717-D771 HydrophobicContact CD2-CB 4.01Å; L717-I772 HydrophobicContact CD1-CG1 4.36Å |
| 718 | C | 85.6 | Confident | 84.5 | Confident | 85 Ų | 85 | 42.9 Ų | 42.9 | 57% | 0.574 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 4.2 | 173 | -59 | 0 | 0 | 0 | 0 | 113.4 | F714 T715 G716 | F714-C718 PolarHBondContact O-N 2.95Å; T715-C718 WeakPolarHBondContact O-CB 3.14Å; T715-C718 PolarHBondContact O-N 3.28Å; G716-C718 PolarHBondContact O-N 2.91Å |
| 719 | S | 88 | Confident | 85.5 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -64 | 140.2 | 175.9 | -179 | 0 | 0 | 0 | 0 | 111.5 | G716 L717 Y721 D724 R725 | G716-S719 VanDerWaalsContact O-CB 3.22Å; G716-S719 WeakPolarHBondContact O-CB 3.19Å; G716-S719 PolarHBondContact O-N 3.4Å; L717-S719 PolarHBondContact O-N 2.88Å; S719-Y721 PolarHBondContact O-N 3.37Å; S719-Y721 PolarHBondContact OG-N 3.1Å; S719-D724 WeakPolarHBondContact OG-CB 3.38Å; S719-D724 PolarHBondContact OG-OD2 3.39Å; S719-R725 WeakPolarHBondContact O-CD 3.37Å; S719-R725 PolarHBondContact O-NH1 3.45Å | ||
| 720 | R | 81.5 | Confident | 86 | Confident | 200 Ų | 200 | 41 Ų | 41 | 76% | 0.755 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -68.7 | -16.8 | 174.3 | -65.3 | -178.2 | 179 | 171.8 | 1.4 | 112.9 | ||
| 721 | Y | 85.9 | Confident | 86.5 | Confident | 126 Ų | 126 | 40.3 Ų | 40.3 | 49% | 0.494 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -98.3 | 126 | -177.7 | -59.7 | -82.3 | 0 | 0 | 0 | 111.9 | A644 S719 V723 D724 R725 | A644-Y721 HydrophobicContact CB-CE2 3.6Å; S719-Y721 PolarHBondContact O-N 3.37Å; S719-Y721 PolarHBondContact OG-N 3.1Å; Y721-V723 PolarHBondContact O-N 2.54Å; Y721-V723 VanDerWaalsContact O-N 3.17Å; Y721-D724 WeakPolarHBondContact O-CB 3.37Å; Y721-D724 PolarHBondContact O-N 2.78Å; Y721-D724 VanDerWaalsContact O-N 3.1Å; Y721-R725 PolarHBondContact O-N 3.49Å |
| 722 | D | 81.5 | Confident | 87 | Confident | 88 Ų | 88 | 39.4 Ų | 39.4 | 47% | 0.471 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.2 | -34.2 | 179.8 | -60.1 | -7.4 | 0 | 0 | 0 | 113.1 | D724 R725 D726 | D722-D724 VanDerWaalsContact C-N 3.34Å; D722-D724 PolarHBondContact O-N 3.05Å; D722-R725 PolarHBondContact O-N 3.08Å; D722-R725 IonicContact OD1-CZ 2.71Å; D722-R725 IonicContact OD1-NH1 3.68Å; D722-R725 IonicContact OD1-NH2 2.65Å; D722-R725 PolarHBondContact OD1-NH2 2.86Å; D722-D726 WeakPolarHBondContact O-CB 3.31Å; D722-D726 PolarHBondContact O-N 3.3Å |
| 723 | V | 85.1 | Confident | 87.2 | Confident | 80 Ų | 80 | 40.2 Ų | 40.2 | 49% | 0.485 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66 | -36.8 | -179.3 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | Y721 D726 Y727 | Y721-V723 PolarHBondContact O-N 2.54Å; Y721-V723 VanDerWaalsContact O-N 3.17Å; V723-D726 PolarHBondContact O-N 3.44Å; V723-Y727 HydrophobicContact CG1-CD2 4.1Å; V723-Y727 HydrophobicContact CG1-CE1 4.45Å; V723-Y727 HydrophobicContact CG1-CE2 3.41Å; V723-Y727 VanDerWaalsContact CG1-CE2 3.41Å; V723-Y727 WeakPolarHBondContact O-CD2 3.41Å; V723-Y727 PolarHBondContact O-N 2.72Å |
| 724 | D | 89.8 | Confident | 87.2 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69 | -44.3 | 179.5 | -68.7 | -9.1 | 0 | 0 | 0 | 111.1 | S648 L651 S719 Y721 D722 D726 Y727 V728 | S648-D724 VanDerWaalsContact CA-OD1 3.28Å; S648-D724 WeakPolarHBondContact CA-OD1 3.45Å; S648-D724 WeakPolarHBondContact CB-OD1 3.43Å; S648-D724 VanDerWaalsContact OG-CG 3.27Å; S648-D724 PolarHBondContact OG-OD1 3.46Å; S648-D724 PolarHBondContact OG-OD2 3.41Å; L651-D724 HydrophobicContact CD1-CB 3.69Å; S719-D724 WeakPolarHBondContact OG-CB 3.38Å; S719-D724 PolarHBondContact OG-OD2 3.39Å; Y721-D724 WeakPolarHBondContact O-CB 3.37Å; Y721-D724 PolarHBondContact O-N 2.78Å; Y721-D724 VanDerWaalsContact O-N 3.1Å; D722-D724 VanDerWaalsContact C-N 3.34Å; D722-D724 PolarHBondContact O-N 3.05Å; D724-D726 VanDerWaalsContact C-N 3.3Å; D724-D726 PolarHBondContact O-N 3.07Å; D724-Y727 WeakPolarHBondContact O-CB 3.32Å; D724-Y727 PolarHBondContact O-N 3.44Å; D724-V728 WeakPolarHBondContact O-CG2 3.2Å; D724-V728 PolarHBondContact O-N 3.09Å |
| 725 | R | 89.7 | Confident | 87.1 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -37.1 | 176.1 | -56.8 | -165.2 | -57.7 | -82.1 | -2.9 | 111.5 | L717 S719 Y721 D722 V728 L729 D771 | L717-R725 HydrophobicContact CD2-CB 4.46Å; L717-R725 WeakPolarHBondContact O-CD 3.14Å; L717-R725 WeakPolarHBondContact O-CG 3.48Å; S719-R725 WeakPolarHBondContact O-CD 3.37Å; S719-R725 PolarHBondContact O-NH1 3.45Å; Y721-R725 PolarHBondContact O-N 3.49Å; D722-R725 PolarHBondContact O-N 3.08Å; D722-R725 IonicContact OD1-CZ 2.71Å; D722-R725 IonicContact OD1-NH1 3.68Å; D722-R725 IonicContact OD1-NH2 2.65Å; D722-R725 PolarHBondContact OD1-NH2 2.86Å; R725-V728 PolarHBondContact O-N 2.89Å; R725-L729 WeakPolarHBondContact O-CB 3.32Å; R725-L729 PolarHBondContact O-N 3.15Å; R725-D771 WeakPolarHBondContact CB-OD2 3.49Å; R725-D771 WeakPolarHBondContact CD-OD2 3.3Å; R725-D771 IonicContact CZ-OD2 3.1Å; R725-D771 IonicContact NE-OD2 2.7Å; R725-D771 PolarHBondContact NE-OD2 3.48Å |
| 726 | D | 88.1 | Confident | 86.8 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.214 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 173.2 | -176.4 | 64.9 | 0 | 0 | 0 | 112.4 | D722 V723 D724 L729 K730 | D722-D726 WeakPolarHBondContact O-CB 3.31Å; D722-D726 PolarHBondContact O-N 3.3Å; V723-D726 PolarHBondContact O-N 3.44Å; D724-D726 VanDerWaalsContact C-N 3.3Å; D724-D726 PolarHBondContact O-N 3.07Å; D726-L729 PolarHBondContact O-N 2.84Å; D726-K730 WeakPolarHBondContact O-CB 3.44Å; D726-K730 VanDerWaalsContact O-CG 3.27Å; D726-K730 WeakPolarHBondContact O-CG 3.26Å; D726-K730 PolarHBondContact O-N 3.44Å; D726-K730 WeakPolarHBondContact OD1-CE 3.31Å; D726-K730 IonicContact OD1-NZ 2.77Å; D726-K730 WeakPolarHBondContact OD2-CE 3.13Å; D726-K730 IonicContact OD2-NZ 2.69Å; D726-K730 PolarHBondContact OD2-NZ 2.92Å |
| 727 | Y | 90.8 | Very high | 86.5 | Confident | 59 Ų | 59 | 38.5 Ų | 38.5 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -47.2 | 172.5 | -69.3 | -42.7 | 0 | 0 | 0 | 111.7 | A652 Y655 V723 D724 K730 I731 | A652-Y727 HydrophobicContact CB-CD2 4.03Å; A652-Y727 HydrophobicContact CB-CE2 3.54Å; Y655-Y727 AromaticContact CD1-CD1 3.41Å; Y655-Y727 HydrophobicContact CD1-CD1 3.41Å; Y655-Y727 VanDerWaalsContact CD1-CD1 3.41Å; Y655-Y727 AromaticContact CD1-CE1 3.65Å; Y655-Y727 HydrophobicContact CD1-CE1 3.65Å; Y655-Y727 HydrophobicContact CD1-CG 4.47Å; Y655-Y727 HydrophobicContact CD2-CD1 4.45Å; Y655-Y727 HydrophobicContact CE1-CD1 4.06Å; Y655-Y727 HydrophobicContact CE1-CE1 4.1Å; Y655-Y727 AromaticContact CG-CD1 3.64Å; Y655-Y727 HydrophobicContact CG-CD1 3.64Å; Y655-Y727 HydrophobicContact CG-CE1 4.33Å; Y655-Y727 HydrophobicContact CG-CG 4.38Å; V723-Y727 HydrophobicContact CG1-CD2 4.1Å; V723-Y727 HydrophobicContact CG1-CE1 4.45Å; V723-Y727 HydrophobicContact CG1-CE2 3.41Å; V723-Y727 VanDerWaalsContact CG1-CE2 3.41Å; V723-Y727 WeakPolarHBondContact O-CD2 3.41Å; V723-Y727 PolarHBondContact O-N 2.72Å; D724-Y727 WeakPolarHBondContact O-CB 3.32Å; D724-Y727 PolarHBondContact O-N 3.44Å; Y727-K730 PolarHBondContact O-N 2.89Å; Y727-I731 WeakPolarHBondContact O-CD1 3.35Å; Y727-I731 WeakPolarHBondContact O-CG1 3.14Å; Y727-I731 PolarHBondContact O-N 3.41Å |
| 728 | V | 92.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -49.4 | 177.8 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | L651 L713 L717 D724 R725 K730 I731 L732 | L651-V728 HydrophobicContact CD1-CG2 4.02Å; L651-V728 HydrophobicContact CD2-CG2 3.63Å; L651-V728 HydrophobicContact CG-CG2 4.39Å; L713-V728 HydrophobicContact CB-CG1 4.15Å; L713-V728 VanDerWaalsContact O-CG1 3.32Å; L713-V728 WeakPolarHBondContact O-CG1 2.78Å; L717-V728 HydrophobicContact CD2-CB 3.95Å; L717-V728 HydrophobicContact CD2-CG1 3.64Å; L717-V728 HydrophobicContact CG-CB 4.46Å; L717-V728 HydrophobicContact CG-CG1 3.76Å; D724-V728 WeakPolarHBondContact O-CG2 3.2Å; D724-V728 PolarHBondContact O-N 3.09Å; R725-V728 PolarHBondContact O-N 2.89Å; V728-K730 VanDerWaalsContact C-N 3.3Å; V728-K730 PolarHBondContact O-N 3.07Å; V728-I731 WeakPolarHBondContact O-CB 3.47Å; V728-I731 PolarHBondContact O-N 3Å; V728-I731 VanDerWaalsContact O-N 3.12Å; V728-L732 HydrophobicContact CG1-CD1 3.9Å; V728-L732 HydrophobicContact CG1-CG 4.15Å; V728-L732 WeakPolarHBondContact O-CG 3.49Å; V728-L732 PolarHBondContact O-N 3.45Å |
| 729 | L | 89.1 | Confident | 85.7 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -45 | 179.2 | 177.9 | 62.6 | 0 | 0 | 0 | 111.2 | R725 D726 I731 L732 L733 R774 F775 | R725-L729 WeakPolarHBondContact O-CB 3.32Å; R725-L729 PolarHBondContact O-N 3.15Å; D726-L729 PolarHBondContact O-N 2.84Å; L729-I731 PolarHBondContact O-N 3.25Å; L729-L732 PolarHBondContact O-N 3.3Å; L729-L733 HydrophobicContact CD1-CD1 4.05Å; L729-L733 HydrophobicContact CD1-CG 4.13Å; L729-L733 HydrophobicContact CG-CD1 3.99Å; L729-L733 HydrophobicContact CG-CG 4.46Å; L729-L733 WeakPolarHBondContact O-CB 3.13Å; L729-L733 VanDerWaalsContact O-CG 3.28Å; L729-L733 WeakPolarHBondContact O-CG 3.32Å; L729-L733 PolarHBondContact O-N 2.95Å; L729-R774 HydrophobicContact CD1-CB 4.06Å; L729-R774 HydrophobicContact CD2-CB 3.83Å; L729-R774 HydrophobicContact CD2-CG 4.48Å; L729-R774 VanDerWaalsContact CD2-CZ 3.45Å; L729-F775 HydrophobicContact CD1-CB 3.81Å |
| 730 | K | 88.8 | Confident | 85.1 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.9 | -74 | 170.6 | 175.4 | 167.5 | 0 | 112.6 | Y655 D726 Y727 V728 R734 | Y655-K730 HydrophobicContact CD2-CB 3.91Å; Y655-K730 HydrophobicContact CE2-CB 3.57Å; Y655-K730 HydrophobicContact CE2-CD 3.86Å; Y655-K730 HydrophobicContact CE2-CG 4.31Å; D726-K730 WeakPolarHBondContact O-CB 3.44Å; D726-K730 VanDerWaalsContact O-CG 3.27Å; D726-K730 WeakPolarHBondContact O-CG 3.26Å; D726-K730 PolarHBondContact O-N 3.44Å; D726-K730 WeakPolarHBondContact OD1-CE 3.31Å; D726-K730 IonicContact OD1-NZ 2.77Å; D726-K730 WeakPolarHBondContact OD2-CE 3.13Å; D726-K730 IonicContact OD2-NZ 2.69Å; D726-K730 PolarHBondContact OD2-NZ 2.92Å; Y727-K730 PolarHBondContact O-N 2.89Å; V728-K730 VanDerWaalsContact C-N 3.3Å; V728-K730 PolarHBondContact O-N 3.07Å; K730-R734 VanDerWaalsContact O-CB 3.22Å; K730-R734 WeakPolarHBondContact O-CB 3.44Å; K730-R734 PolarHBondContact O-N 3Å |
| 731 | I | 90.4 | Very high | 84.9 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -52.1 | 173.4 | -69.3 | 162.9 | 0 | 0 | 0 | 110.1 | L654 Y655 V658 L713 Y727 V728 L729 L733 R734 L735 | L654-I731 HydrophobicContact CB-CD1 3.99Å; Y655-I731 HydrophobicContact CD2-CG1 4.18Å; V658-I731 HydrophobicContact CG2-CG1 4.36Å; V658-I731 HydrophobicContact CG2-CG2 4.26Å; L713-I731 HydrophobicContact CD1-CG2 4.06Å; L713-I731 HydrophobicContact CD2-CG2 4.11Å; Y727-I731 WeakPolarHBondContact O-CD1 3.35Å; Y727-I731 WeakPolarHBondContact O-CG1 3.14Å; Y727-I731 PolarHBondContact O-N 3.41Å; V728-I731 WeakPolarHBondContact O-CB 3.47Å; V728-I731 PolarHBondContact O-N 3Å; V728-I731 VanDerWaalsContact O-N 3.12Å; L729-I731 PolarHBondContact O-N 3.25Å; I731-L733 VanDerWaalsContact C-N 3.35Å; I731-L733 PolarHBondContact O-N 3.2Å; I731-R734 PolarHBondContact O-N 3.5Å; I731-L735 HydrophobicContact CG2-CD1 3.62Å; I731-L735 HydrophobicContact CG2-CG 4.29Å; I731-L735 WeakPolarHBondContact O-CB 3.17Å; I731-L735 VanDerWaalsContact O-CG 3.31Å; I731-L735 WeakPolarHBondContact O-CG 3.39Å; I731-L735 PolarHBondContact O-N 3.23Å |
| 732 | L | 88.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.1 | -46.6 | -178.8 | -70.2 | 174.8 | 0 | 0 | 0 | 112 | L710 L713 F714 L717 V728 L729 G736 I737 F775 | L710-L732 HydrophobicContact CD1-CD2 4.3Å; L713-L732 HydrophobicContact CB-CD2 4.2Å; L713-L732 HydrophobicContact CD1-CD2 3.63Å; L713-L732 HydrophobicContact CD1-CG 4.47Å; F714-L732 HydrophobicContact CD1-CD1 4.49Å; F714-L732 HydrophobicContact CE1-CD1 4.05Å; L717-L732 HydrophobicContact CD1-CD1 4.47Å; V728-L732 HydrophobicContact CG1-CD1 3.9Å; V728-L732 HydrophobicContact CG1-CG 4.15Å; V728-L732 WeakPolarHBondContact O-CG 3.49Å; V728-L732 PolarHBondContact O-N 3.45Å; L729-L732 PolarHBondContact O-N 3.3Å; L732-G736 PolarHBondContact O-N 3.07Å; L732-I737 HydrophobicContact CD2-CD1 3.94Å; L732-F775 HydrophobicContact CB-CD2 3.7Å; L732-F775 HydrophobicContact CB-CE2 3.83Å; L732-F775 HydrophobicContact CD1-CD2 4.14Å; L732-F775 HydrophobicContact CD1-CE2 4.49Å; L732-F775 HydrophobicContact CD1-CG 4.19Å; L732-F775 HydrophobicContact CG-CD2 4.46Å |
| 733 | L | 85.5 | Confident | 84.2 | Confident | 21 Ų | 21 | 25.8 Ų | 25.8 | 11% | 0.11 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.8 | -44.5 | 178.5 | -69.1 | 174.6 | 0 | 0 | 0 | 111.7 | L729 I731 L735 G736 | L729-L733 HydrophobicContact CD1-CD1 4.05Å; L729-L733 HydrophobicContact CD1-CG 4.13Å; L729-L733 HydrophobicContact CG-CD1 3.99Å; L729-L733 HydrophobicContact CG-CG 4.46Å; L729-L733 WeakPolarHBondContact O-CB 3.13Å; L729-L733 VanDerWaalsContact O-CG 3.28Å; L729-L733 WeakPolarHBondContact O-CG 3.32Å; L729-L733 PolarHBondContact O-N 2.95Å; I731-L733 VanDerWaalsContact C-N 3.35Å; I731-L733 PolarHBondContact O-N 3.2Å; L733-L735 PolarHBondContact O-N 3.02Å; L733-G736 PolarHBondContact O-N 3.02Å |
| 734 | R | 85.3 | Confident | 83.9 | Confident | 22 Ų | 22 | 27.1 Ų | 27.1 | 8% | 0.083 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.4 | -39.2 | -178.5 | -163.2 | 76.2 | 76.9 | -175.8 | -3.3 | 112 | V658 E659 Y662 Y670 F673 K730 I731 G736 L851 | V658-R734 HydrophobicContact CG1-CB 4.02Å; V658-R734 HydrophobicContact CG1-CG 3.88Å; E659-R734 IonicContact OE1-CZ 3.56Å; E659-R734 IonicContact OE1-NE 3.64Å; E659-R734 PolarHBondContact OE1-NE 3.29Å; E659-R734 IonicContact OE1-NH2 3.71Å; E659-R734 PolarHBondContact OE1-NH2 3.5Å; E659-R734 IonicContact OE2-NH2 2.6Å; Y662-R734 HydrophobicContact CD2-CG 4.11Å; Y670-R734 PolarHBondContact OH-O 2.93Å; Y670-R734 VanDerWaalsContact OH-O 3.06Å; F673-R734 HydrophobicContact CE1-CG 4.35Å; F673-R734 HydrophobicContact CZ-CG 3.98Å; K730-R734 VanDerWaalsContact O-CB 3.22Å; K730-R734 WeakPolarHBondContact O-CB 3.44Å; K730-R734 PolarHBondContact O-N 3Å; I731-R734 PolarHBondContact O-N 3.5Å; R734-G736 VanDerWaalsContact C-N 3.32Å; R734-L851 PolarHBondContact NH2-O 3.3Å |
| 735 | L | 84.5 | Confident | 83.4 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -77 | -13.8 | 179.6 | -67.3 | 178 | 0 | 0 | 0 | 113.9 | V658 F673 I677 M678 L681 L709 I731 L733 I737 | V658-L735 HydrophobicContact CG1-CD2 4.27Å; V658-L735 HydrophobicContact CG1-CG 4.47Å; V658-L735 HydrophobicContact CG2-CD2 4.47Å; F673-L735 HydrophobicContact CZ-CD2 4.42Å; I677-L735 HydrophobicContact CB-CD2 4.49Å; I677-L735 HydrophobicContact CG1-CD2 4Å; I677-L735 HydrophobicContact CG2-CD2 3.56Å; M678-L735 HydrophobicContact SD-CD1 4.36Å; M678-L735 HydrophobicContact SD-CD2 4.08Å; L681-L735 HydrophobicContact CD1-CD1 3.59Å; L681-L735 HydrophobicContact CD1-CD2 4.03Å; L681-L735 HydrophobicContact CD1-CG 4.48Å; L709-L735 HydrophobicContact CD2-CD1 4.39Å; I731-L735 HydrophobicContact CG2-CD1 3.62Å; I731-L735 HydrophobicContact CG2-CG 4.29Å; I731-L735 WeakPolarHBondContact O-CB 3.17Å; I731-L735 VanDerWaalsContact O-CG 3.31Å; I731-L735 WeakPolarHBondContact O-CG 3.39Å; I731-L735 PolarHBondContact O-N 3.23Å; L733-L735 PolarHBondContact O-N 3.02Å; L735-I737 VanDerWaalsContact C-N 3.29Å; L735-I737 HydrophobicContact CB-CD1 4.16Å; L735-I737 HydrophobicContact CB-CG1 3.78Å; L735-I737 HydrophobicContact CD1-CD1 3.99Å; L735-I737 HydrophobicContact CD1-CG1 4.5Å; L735-I737 PolarHBondContact O-N 3.49Å |
| 736 | G | 79.5 | Confident | 83.1 | Confident | 8 Ų | 8 | 29 Ų | 29 | 8% | 0.082 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 29.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | L732 L733 R734 L738 K739 | L732-G736 PolarHBondContact O-N 3.07Å; L733-G736 PolarHBondContact O-N 3.02Å; R734-G736 VanDerWaalsContact C-N 3.32Å; G736-L738 PolarHBondContact O-N 3.46Å; G736-L738 VanDerWaalsContact O-N 3.17Å; G736-K739 PolarHBondContact O-N 3.12Å |
| 737 | I | 80.4 | Confident | 83 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -60.1 | -29.8 | -172.3 | -66.3 | -177.1 | 0 | 0 | 0 | 112.5 | L709 L710 L713 L732 L735 K739 Q740 L741 | L709-I737 HydrophobicContact CD2-CD1 3.92Å; L710-I737 HydrophobicContact CD1-CG2 4.05Å; L713-I737 HydrophobicContact CD1-CD1 3.97Å; L732-I737 HydrophobicContact CD2-CD1 3.94Å; L735-I737 VanDerWaalsContact C-N 3.29Å; L735-I737 HydrophobicContact CB-CD1 4.16Å; L735-I737 HydrophobicContact CB-CG1 3.78Å; L735-I737 HydrophobicContact CD1-CD1 3.99Å; L735-I737 HydrophobicContact CD1-CG1 4.5Å; L735-I737 PolarHBondContact O-N 3.49Å; I737-K739 PolarHBondContact O-N 3.44Å; I737-K739 VanDerWaalsContact O-N 3.11Å; I737-Q740 PolarHBondContact O-N 3.4Å; I737-L741 HydrophobicContact CG2-CD2 4.48Å; I737-L741 HydrophobicContact CG2-CG 4.46Å |
| 738 | L | 80.5 | Confident | 82.8 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -53 | -36.4 | -179.3 | -171.8 | 65.8 | 0 | 0 | 0 | 112.7 | G736 Q740 L741 I746 F775 L776 | G736-L738 PolarHBondContact O-N 3.46Å; G736-L738 VanDerWaalsContact O-N 3.17Å; L738-Q740 PolarHBondContact O-N 3.1Å; L738-Q740 VanDerWaalsContact O-N 3.15Å; L738-L741 HydrophobicContact CD1-CD1 4.35Å; L738-L741 PolarHBondContact O-N 2.77Å; L738-I746 HydrophobicContact CD1-CD1 3.89Å; L738-I746 HydrophobicContact CD1-CG1 3.99Å; L738-I746 HydrophobicContact CG-CD1 4.43Å; L738-F775 HydrophobicContact CB-CE2 3.94Å; L738-F775 HydrophobicContact CB-CZ 3.86Å; L738-F775 HydrophobicContact CD1-CE1 3.94Å; L738-F775 HydrophobicContact CD1-CZ 3.92Å; L738-L776 HydrophobicContact CD1-CD2 3.72Å |
| 739 | K | 75.1 | Confident | 82.6 | Confident | 96 Ų | 96 | 33.7 Ų | 33.7 | 42% | 0.417 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -63.7 | -18.4 | 179.8 | -63.6 | -178 | 177.1 | -175.3 | 0 | 114 | G736 I737 N782 | G736-K739 PolarHBondContact O-N 3.12Å; I737-K739 PolarHBondContact O-N 3.44Å; I737-K739 VanDerWaalsContact O-N 3.11Å; K739-N782 PolarHBondContact NZ-O 3.49Å |
| 740 | Q | 75.3 | Confident | 82.7 | Confident | 56 Ų | 56 | 36.1 Ų | 36.1 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -101.8 | -5.4 | -175.9 | -54.7 | -175.5 | 16 | 0 | 0 | 112.8 | I702 T706 I737 L738 | I702-Q740 PolarHBondContact N-O 2.93Å; T706-Q740 PolarHBondContact OG1-OE1 3.07Å; I737-Q740 PolarHBondContact O-N 3.4Å; L738-Q740 PolarHBondContact O-N 3.1Å; L738-Q740 VanDerWaalsContact O-N 3.15Å |
| 741 | L | 78 | Confident | 82.8 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -86.2 | 149.3 | -177.4 | -63.4 | 179.7 | 0 | 0 | 0 | 111.8 | P701 L710 I737 L738 I746 F775 | P701-L741 HydrophobicContact CB-CD2 4.4Å; L710-L741 HydrophobicContact CD2-CD1 4.43Å; L710-L741 HydrophobicContact CD2-CD2 3.61Å; I737-L741 HydrophobicContact CG2-CD2 4.48Å; I737-L741 HydrophobicContact CG2-CG 4.46Å; L738-L741 HydrophobicContact CD1-CD1 4.35Å; L738-L741 PolarHBondContact O-N 2.77Å; L741-I746 HydrophobicContact CB-CD1 4.12Å; L741-I746 HydrophobicContact CB-CG1 4.04Å; L741-F775 HydrophobicContact CD1-CE1 3.92Å; L741-F775 HydrophobicContact CD1-CZ 3.96Å |
| 742 | N | 76.7 | Confident | 82.9 | Confident | 40 Ų | 40 | 38.6 Ų | 38.6 | 21% | 0.214 | 19% | 0.194 | C | C | . | . | trans | -64.1 | 130.1 | 174.9 | -175.5 | -30.9 | 0 | 0 | 0 | 110.5 | N744 Y745 I746 | N742-N744 VanDerWaalsContact C-N 3.26Å; N742-N744 PolarHBondContact O-N 2.88Å; N742-N744 PolarHBondContact OD1-N 3.43Å; N742-Y745 WeakPolarHBondContact O-CB 3.48Å; N742-Y745 PolarHBondContact O-N 3.01Å; N742-I746 PolarHBondContact O-N 3.02Å | ||
| 743 | P | 75.6 | Confident | 83.1 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 24% | 0.24 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -49.2 | -40.4 | 175.1 | -32.8 | 39 | 0 | 0 | 0 | 115.3 | Y745 I746 N747 L789 | P743-Y745 VanDerWaalsContact C-N 3.3Å; P743-Y745 PolarHBondContact O-N 2.92Å; P743-I746 WeakPolarHBondContact O-CB 3.45Å; P743-I746 PolarHBondContact O-N 3.16Å; P743-N747 PolarHBondContact O-N 2.98Å; P743-L789 HydrophobicContact CB-CD1 4.47Å; P743-L789 HydrophobicContact CB-CD2 3.68Å; P743-L789 HydrophobicContact CB-CG 4.26Å; P743-L789 HydrophobicContact CG-CD1 3.74Å; P743-L789 HydrophobicContact CG-CD2 3.8Å; P743-L789 HydrophobicContact CG-CG 4.08Å |
| 744 | N | 78.4 | Confident | 83.5 | Confident | 107 Ų | 107 | 38.1 Ų | 38.1 | 57% | 0.572 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -66.3 | -36.6 | 179.5 | -70.5 | -13.8 | 0 | 0 | 0 | 111.4 | N742 N747 K748 | N742-N744 VanDerWaalsContact C-N 3.26Å; N742-N744 PolarHBondContact O-N 2.88Å; N742-N744 PolarHBondContact OD1-N 3.43Å; N744-N747 PolarHBondContact O-N 2.76Å; N744-K748 PolarHBondContact O-N 3.43Å |
| 745 | Y | 80.3 | Confident | 83.8 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.4 | -39.3 | 176.4 | -177.5 | -120 | 0 | 0 | 0 | 111.9 | F699 L710 F714 N742 P743 N747 K748 L749 | F699-Y745 AromaticContact CD1-CD2 3.42Å; F699-Y745 HydrophobicContact CD1-CD2 3.42Å; F699-Y745 VanDerWaalsContact CD1-CD2 3.42Å; F699-Y745 AromaticContact CD1-CE2 3.17Å; F699-Y745 HydrophobicContact CD1-CE2 3.17Å; F699-Y745 HydrophobicContact CD1-CG 4.41Å; F699-Y745 AromaticContact CD1-CZ 3.94Å; F699-Y745 AromaticContact CE1-CD2 3.61Å; F699-Y745 HydrophobicContact CE1-CD2 3.61Å; F699-Y745 AromaticContact CE1-CE2 3.21Å; F699-Y745 HydrophobicContact CE1-CE2 3.21Å; F699-Y745 HydrophobicContact CG-CD2 4.19Å; F699-Y745 HydrophobicContact CG-CE2 4.31Å; F699-Y745 HydrophobicContact CZ-CD2 4.47Å; F699-Y745 HydrophobicContact CZ-CE2 4.35Å; L710-Y745 HydrophobicContact CD2-CE1 3.9Å; F714-Y745 WeakPolarHBondContact CE2-OH 3.32Å; N742-Y745 WeakPolarHBondContact O-CB 3.48Å; N742-Y745 PolarHBondContact O-N 3.01Å; P743-Y745 VanDerWaalsContact C-N 3.3Å; P743-Y745 PolarHBondContact O-N 2.92Å; Y745-N747 PolarHBondContact O-N 3.37Å; Y745-K748 PolarHBondContact O-N 3.44Å; Y745-L749 HydrophobicContact CD1-CD1 3.93Å; Y745-L749 HydrophobicContact CD1-CG 4.46Å; Y745-L749 HydrophobicContact CD2-CG 4.42Å; Y745-L749 HydrophobicContact CE1-CD1 3.46Å; Y745-L749 VanDerWaalsContact CE1-CD1 3.46Å; Y745-L749 HydrophobicContact CE1-CG 4.07Å; Y745-L749 HydrophobicContact CE2-CD1 4.27Å; Y745-L749 HydrophobicContact CE2-CD2 4.16Å; Y745-L749 HydrophobicContact CE2-CG 3.95Å; Y745-L749 WeakPolarHBondContact O-CG 2.79Å; Y745-L749 PolarHBondContact O-N 3.43Å |
| 746 | I | 83.7 | Confident | 84.1 | Confident | 36 Ų | 36 | 47.4 Ų | 47.4 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.5 | -47.3 | 173.5 | -68.4 | 169.8 | 0 | 0 | 0 | 110.8 | L738 L741 N742 P743 K748 L749 W750 L776 | L738-I746 HydrophobicContact CD1-CD1 3.89Å; L738-I746 HydrophobicContact CD1-CG1 3.99Å; L738-I746 HydrophobicContact CG-CD1 4.43Å; L741-I746 HydrophobicContact CB-CD1 4.12Å; L741-I746 HydrophobicContact CB-CG1 4.04Å; N742-I746 PolarHBondContact O-N 3.02Å; P743-I746 WeakPolarHBondContact O-CB 3.45Å; P743-I746 PolarHBondContact O-N 3.16Å; I746-K748 PolarHBondContact O-N 2.87Å; I746-L749 PolarHBondContact O-N 3.37Å; I746-W750 WeakPolarHBondContact O-CB 3.36Å; I746-W750 PolarHBondContact O-N 3.39Å; I746-L776 HydrophobicContact CG2-CD2 4.18Å |
| 747 | N | 84.8 | Confident | 84.7 | Confident | 85 Ų | 85 | 50.6 Ų | 50.6 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.3 | -72.7 | -21 | 0 | 0 | 0 | 111.9 | P743 N744 Y745 W750 T751 | P743-N747 PolarHBondContact O-N 2.98Å; N744-N747 PolarHBondContact O-N 2.76Å; Y745-N747 PolarHBondContact O-N 3.37Å; N747-W750 WeakPolarHBondContact O-CB 3.37Å; N747-W750 PolarHBondContact O-N 3.34Å; N747-T751 PolarHBondContact O-N 3.32Å; N747-T751 PolarHBondContact O-OG1 3.32Å |
| 748 | K | 86.7 | Confident | 85.3 | Confident | 100 Ų | 100 | 50.5 Ų | 50.5 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.4 | -177.4 | 173.3 | 178.4 | 173.9 | 0 | 112.1 | F699 N744 Y745 I746 W750 T751 D752 | F699-K748 HydrophobicContact CZ-CD 4.32Å; N744-K748 PolarHBondContact O-N 3.43Å; Y745-K748 PolarHBondContact O-N 3.44Å; I746-K748 PolarHBondContact O-N 2.87Å; K748-W750 VanDerWaalsContact C-N 3.25Å; K748-W750 PolarHBondContact O-N 2.75Å; K748-T751 PolarHBondContact O-N 3.21Å; K748-D752 WeakPolarHBondContact O-CB 3.38Å; K748-D752 VanDerWaalsContact O-CG 3.29Å; K748-D752 PolarHBondContact O-N 3.04Å |
| 749 | L | 87.9 | Confident | 85.8 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.3 | -37.7 | 176.6 | -76.4 | 176.8 | 0 | 0 | 0 | 112.2 | F714 Y745 I746 A753 I772 L776 | F714-L749 HydrophobicContact CE2-CD1 4.27Å; F714-L749 HydrophobicContact CE2-CD2 4.4Å; F714-L749 HydrophobicContact CZ-CD1 4.25Å; Y745-L749 HydrophobicContact CD1-CD1 3.93Å; Y745-L749 HydrophobicContact CD1-CG 4.46Å; Y745-L749 HydrophobicContact CD2-CG 4.42Å; Y745-L749 HydrophobicContact CE1-CD1 3.46Å; Y745-L749 VanDerWaalsContact CE1-CD1 3.46Å; Y745-L749 HydrophobicContact CE1-CG 4.07Å; Y745-L749 HydrophobicContact CE2-CD1 4.27Å; Y745-L749 HydrophobicContact CE2-CD2 4.16Å; Y745-L749 HydrophobicContact CE2-CG 3.95Å; Y745-L749 WeakPolarHBondContact O-CG 2.79Å; Y745-L749 PolarHBondContact O-N 3.43Å; I746-L749 PolarHBondContact O-N 3.37Å; L749-A753 WeakPolarHBondContact O-CB 3.38Å; L749-A753 PolarHBondContact O-N 2.81Å; L749-I772 HydrophobicContact CB-CG2 4.37Å; L749-L776 HydrophobicContact CB-CD1 4.04Å |
| 750 | W | 90.8 | Very high | 86.6 | Confident | 53 Ų | 53 | 48 Ų | 48 | 20% | 0.201 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -51.3 | 175.6 | -179.2 | -88 | 0 | 0 | 0 | 111.8 | I746 N747 K748 A753 L754 L773 L776 I777 K799 A803 | I746-W750 WeakPolarHBondContact O-CB 3.36Å; I746-W750 PolarHBondContact O-N 3.39Å; N747-W750 WeakPolarHBondContact O-CB 3.37Å; N747-W750 PolarHBondContact O-N 3.34Å; K748-W750 VanDerWaalsContact C-N 3.25Å; K748-W750 PolarHBondContact O-N 2.75Å; W750-A753 PolarHBondContact O-N 3.49Å; W750-L754 HydrophobicContact CZ2-CD1 4.37Å; W750-L754 VanDerWaalsContact NE1-CD1 3.35Å; W750-L754 PolarHBondContact O-N 2.87Å; W750-L773 HydrophobicContact CD2-CD2 4.2Å; W750-L773 HydrophobicContact CE3-CD2 3.88Å; W750-L773 HydrophobicContact CH2-CD2 4.37Å; W750-L773 HydrophobicContact CZ3-CD2 3.98Å; W750-L776 HydrophobicContact CB-CD1 3.96Å; W750-L776 HydrophobicContact CE3-CB 4.07Å; W750-L776 HydrophobicContact CE3-CD1 3.98Å; W750-L776 HydrophobicContact CZ3-CB 4.36Å; W750-I777 HydrophobicContact CH2-CD1 4.47Å; W750-I777 HydrophobicContact CH2-CG1 4.14Å; W750-I777 HydrophobicContact CZ3-CD1 4.43Å; W750-I777 HydrophobicContact CZ3-CG1 3.82Å; W750-K799 HydrophobicContact CH2-CB 4.17Å; W750-K799 WeakPolarHBondContact CH2-O 3.29Å; W750-A803 HydrophobicContact CH2-CB 3.86Å; W750-A803 HydrophobicContact CZ2-CB 3.94Å |
| 751 | T | 91.6 | Very high | 87.1 | Confident | 58 Ų | 58 | 47 Ų | 47 | 36% | 0.356 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | N747 K748 A753 L754 E755 | N747-T751 PolarHBondContact O-N 3.32Å; N747-T751 PolarHBondContact O-OG1 3.32Å; K748-T751 PolarHBondContact O-N 3.21Å; T751-A753 VanDerWaalsContact C-N 3.28Å; T751-A753 PolarHBondContact O-N 3.47Å; T751-L754 PolarHBondContact O-N 2.82Å; T751-L754 VanDerWaalsContact O-N 3.14Å; T751-E755 HydrophobicContact CG2-CG 4.28Å; T751-E755 WeakPolarHBondContact O-CB 3.26Å; T751-E755 PolarHBondContact O-N 3.45Å |
| 752 | D | 92.8 | Very high | 87.4 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -37.8 | 179.4 | -70.3 | -13 | 0 | 0 | 0 | 111.3 | K748 I756 Y757 | K748-D752 WeakPolarHBondContact O-CB 3.38Å; K748-D752 VanDerWaalsContact O-CG 3.29Å; K748-D752 PolarHBondContact O-N 3.04Å; D752-I756 HydrophobicContact CB-CD1 4.23Å; D752-I756 WeakPolarHBondContact O-CA 3.4Å; D752-I756 WeakPolarHBondContact O-CB 3.37Å; D752-I756 PolarHBondContact O-N 3.33Å; D752-I756 WeakPolarHBondContact OD1-CD1 3.19Å; D752-Y757 HydrophobicContact CB-CD2 4.25Å; D752-Y757 HydrophobicContact CB-CE2 4Å; D752-Y757 VanDerWaalsContact O-CD2 3.28Å; D752-Y757 WeakPolarHBondContact O-CD2 3.16Å; D752-Y757 PolarHBondContact O-N 2.77Å |
| 753 | A | 92.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -61.6 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L749 W750 T751 A758 A769 I772 L773 | L749-A753 WeakPolarHBondContact O-CB 3.38Å; L749-A753 PolarHBondContact O-N 2.81Å; W750-A753 PolarHBondContact O-N 3.49Å; T751-A753 VanDerWaalsContact C-N 3.28Å; T751-A753 PolarHBondContact O-N 3.47Å; A753-A758 WeakPolarHBondContact O-CB 3.43Å; A753-A758 PolarHBondContact O-N 2.85Å; A753-A769 WeakPolarHBondContact O-CB 2.95Å; A753-I772 HydrophobicContact CB-CB 4.24Å; A753-I772 HydrophobicContact CB-CG2 3.92Å; A753-L773 HydrophobicContact CB-CD2 3.96Å; A753-L773 HydrophobicContact CB-CG 3.89Å |
| 754 | L | 92.9 | Very high | 87.6 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -78.7 | -35.2 | -178.1 | -69.1 | 173.3 | 0 | 0 | 0 | 113.6 | W750 T751 Q759 L773 A803 L807 Q810 | W750-L754 HydrophobicContact CZ2-CD1 4.37Å; W750-L754 VanDerWaalsContact NE1-CD1 3.35Å; W750-L754 PolarHBondContact O-N 2.87Å; T751-L754 PolarHBondContact O-N 2.82Å; T751-L754 VanDerWaalsContact O-N 3.14Å; L754-Q759 PolarHBondContact O-NE2 2.64Å; L754-L773 HydrophobicContact CD2-CD1 3.82Å; L754-L773 HydrophobicContact CD2-CD2 4.25Å; L754-L773 HydrophobicContact CG-CD2 4.24Å; L754-A803 HydrophobicContact CD2-CB 4.29Å; L754-L807 HydrophobicContact CD2-CD1 4.24Å; L754-L807 HydrophobicContact CD2-CD2 4.01Å; L754-L807 HydrophobicContact CD2-CG 3.89Å; L754-Q810 PolarHBondContact O-NE2 2.79Å; L754-Q810 VanDerWaalsContact O-NE2 3.16Å |
| 755 | E | 91.3 | Very high | 88 | Confident | 120 Ų | 120 | 51.1 Ų | 51.1 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | I | π-helix | trans | -102.5 | -30.1 | -169.5 | -65.2 | -175.9 | -177.1 | 0 | 0 | 113.7 | T751 Q759 | T751-E755 HydrophobicContact CG2-CG 4.28Å; T751-E755 WeakPolarHBondContact O-CB 3.26Å; T751-E755 PolarHBondContact O-N 3.45Å; E755-Q759 PolarHBondContact O-OE1 3.5Å |
| 756 | I | 91 | Very high | 88.3 | Confident | 98 Ų | 98 | 50.1 Ų | 50.1 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -107.4 | -56.9 | -176.1 | -55.4 | 178 | 0 | 0 | 0 | 110.5 | D752 S760 | D752-I756 HydrophobicContact CB-CD1 4.23Å; D752-I756 WeakPolarHBondContact O-CA 3.4Å; D752-I756 WeakPolarHBondContact O-CB 3.37Å; D752-I756 PolarHBondContact O-N 3.33Å; D752-I756 WeakPolarHBondContact OD1-CD1 3.19Å; I756-S760 PolarHBondContact O-N 3.33Å |
| 757 | Y | 92.9 | Very high | 88.4 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 30% | 0.298 | 25% | 0.25 | S | C | . | . | I | π-helix | trans | -73.4 | -49.7 | -172.7 | -64.5 | -70.4 | 0 | 0 | 0 | 111.8 | D752 Q759 S760 V765 S766 I772 | D752-Y757 HydrophobicContact CB-CD2 4.25Å; D752-Y757 HydrophobicContact CB-CE2 4Å; D752-Y757 VanDerWaalsContact O-CD2 3.28Å; D752-Y757 WeakPolarHBondContact O-CD2 3.16Å; D752-Y757 PolarHBondContact O-N 2.77Å; Y757-Q759 PolarHBondContact O-N 3.5Å; Y757-S760 VanDerWaalsContact O-CB 3.28Å; Y757-S760 WeakPolarHBondContact O-CB 3.43Å; Y757-S760 PolarHBondContact O-N 3.28Å; Y757-S760 VanDerWaalsContact O-N 3.08Å; Y757-V765 HydrophobicContact CD1-CG1 3.66Å; Y757-V765 HydrophobicContact CE1-CG1 4.25Å; Y757-S766 WeakPolarHBondContact O-CA 3.32Å; Y757-I772 HydrophobicContact CD2-CD1 4.12Å; Y757-I772 HydrophobicContact CE2-CD1 4.11Å |
| 758 | A | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -25.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A753 A769 L807 A837 I838 T841 | A753-A758 WeakPolarHBondContact O-CB 3.43Å; A753-A758 PolarHBondContact O-N 2.85Å; A758-A769 HydrophobicContact CB-CB 3.78Å; A758-A769 VanDerWaalsContact N-CB 3.34Å; A758-L807 HydrophobicContact CB-CD2 3.68Å; A758-A837 CarbonylContact O-C 3.37Å; A758-A837 VanDerWaalsContact O-CB 3.28Å; A758-A837 WeakPolarHBondContact O-CB 3.47Å; A758-I838 PolarHBondContact O-N 2.82Å; A758-T841 HydrophobicContact CB-CG2 4.07Å |
| 759 | Q | 91.5 | Very high | 88.9 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 13% | 0.131 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.9 | -179.2 | -62.8 | -177.9 | 26.9 | 0 | 0 | 112.9 | L754 E755 Y757 S761 Q810 K833 | L754-Q759 PolarHBondContact O-NE2 2.64Å; E755-Q759 PolarHBondContact O-OE1 3.5Å; Y757-Q759 PolarHBondContact O-N 3.5Å; Q759-S761 PolarHBondContact O-N 2.84Å; Q759-Q810 VanDerWaalsContact NE2-NE2 3.1Å; Q759-K833 HydrophobicContact CB-CB 4.42Å; Q759-K833 HydrophobicContact CB-CD 4.43Å; Q759-K833 HydrophobicContact CB-CG 4.09Å; Q759-K833 HydrophobicContact CG-CD 4.28Å; Q759-K833 HydrophobicContact CG-CG 4.42Å; Q759-K833 WeakPolarHBondContact O-CA 2.66Å |
| 760 | S | 91.4 | Very high | 89.1 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | trans | -64.1 | 127.9 | -176.4 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | I756 Y757 K762 A837 | I756-S760 PolarHBondContact O-N 3.33Å; Y757-S760 VanDerWaalsContact O-CB 3.28Å; Y757-S760 WeakPolarHBondContact O-CB 3.43Å; Y757-S760 PolarHBondContact O-N 3.28Å; Y757-S760 VanDerWaalsContact O-N 3.08Å; S760-K762 PolarHBondContact O-N 3.2Å; S760-K762 PolarHBondContact OG-N 2.8Å; S760-A837 WeakPolarHBondContact O-CB 3.2Å | ||
| 761 | S | 85.6 | Confident | 89 | Confident | 36 Ų | 36 | 38.5 Ų | 38.5 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -69.9 | -14.1 | 170.7 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | Q759 P763 T831 Y836 Y950 | Q759-S761 PolarHBondContact O-N 2.84Å; S761-P763 WeakPolarHBondContact O-CD 3.26Å; S761-T831 VanDerWaalsContact CB-O 3.3Å; S761-T831 WeakPolarHBondContact CB-O 3.39Å; S761-T831 PolarHBondContact OG-O 3.48Å; S761-T831 VanDerWaalsContact OG-O 3.1Å; S761-Y836 PolarHBondContact O-OH 3.45Å; S761-Y950 PolarHBondContact O-OH 3.16Å |
| 762 | K | 85.3 | Confident | 88.9 | Confident | 130 Ų | 130 | 36.2 Ų | 36.2 | 57% | 0.565 | 19% | 0.185 | S | C | * | . | trans | -76.3 | 118.4 | 178 | -67.5 | -175.5 | -179.2 | 179.2 | 0 | 111.2 | S760 D764 V765 S766 | S760-K762 PolarHBondContact O-N 3.2Å; S760-K762 PolarHBondContact OG-N 2.8Å; K762-D764 WeakPolarHBondContact CB-OD1 3.46Å; K762-D764 PolarHBondContact O-N 3.5Å; K762-V765 HydrophobicContact CB-CB 3.95Å; K762-V765 HydrophobicContact CB-CG2 3.74Å; K762-V765 HydrophobicContact CD-CG2 4.09Å; K762-V765 PolarHBondContact O-N 3.23Å; K762-V765 VanDerWaalsContact O-N 3.07Å; K762-S766 PolarHBondContact O-N 2.85Å; K762-S766 PolarHBondContact O-OG 3.37Å | ||
| 763 | P | 77.1 | Confident | 88.9 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 25% | 0.253 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -15.7 | -173.6 | 21.6 | -30.2 | 0 | 0 | 0 | 115.7 | S761 P767 Y836 R957 | S761-P763 WeakPolarHBondContact O-CD 3.26Å; P763-P767 WeakPolarHBondContact O-CD 3.45Å; P763-Y836 WeakPolarHBondContact CA-OH 3.47Å; P763-Y836 HydrophobicContact CB-CE2 4.16Å; P763-Y836 WeakPolarHBondContact CB-OH 3.18Å; P763-Y836 VanDerWaalsContact N-OH 3.14Å; P763-R957 PolarHBondContact O-NH2 2.91Å |
| 764 | D | 78.3 | Confident | 88.7 | Confident | 75 Ų | 75 | 36 Ų | 36 | 40% | 0.401 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -15.6 | 174.5 | 56.3 | -36 | 0 | 0 | 0 | 112.7 | K762 | K762-D764 WeakPolarHBondContact CB-OD1 3.46Å; K762-D764 PolarHBondContact O-N 3.5Å |
| 765 | V | 86.5 | Confident | 88.4 | Confident | 34 Ų | 34 | 35.5 Ų | 35.5 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -43.6 | 179.6 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | Y757 K762 P767 I768 | Y757-V765 HydrophobicContact CD1-CG1 3.66Å; Y757-V765 HydrophobicContact CE1-CG1 4.25Å; K762-V765 HydrophobicContact CB-CB 3.95Å; K762-V765 HydrophobicContact CB-CG2 3.74Å; K762-V765 HydrophobicContact CD-CG2 4.09Å; K762-V765 PolarHBondContact O-N 3.23Å; K762-V765 VanDerWaalsContact O-N 3.07Å; V765-P767 VanDerWaalsContact C-CD 3.43Å; V765-I768 VanDerWaalsContact O-CB 3.22Å; V765-I768 WeakPolarHBondContact O-CB 3.28Å; V765-I768 VanDerWaalsContact O-CG1 3.28Å; V765-I768 WeakPolarHBondContact O-CG1 3.35Å; V765-I768 PolarHBondContact O-N 2.99Å; V765-I768 VanDerWaalsContact O-N 3.08Å |
| 766 | S | 86.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56 | -37.9 | -175.2 | 43.5 | 0 | 0 | 0 | 0 | 116.2 | Y757 K762 I768 A769 A837 | Y757-S766 WeakPolarHBondContact O-CA 3.32Å; K762-S766 PolarHBondContact O-N 2.85Å; K762-S766 PolarHBondContact O-OG 3.37Å; S766-I768 PolarHBondContact O-N 2.72Å; S766-A769 WeakPolarHBondContact O-CB 3.35Å; S766-A769 PolarHBondContact O-N 3.33Å; S766-A837 VanDerWaalsContact CB-CB 3.41Å |
| 767 | P | 86 | Confident | 88.1 | Confident | 23 Ų | 23 | 25.3 Ų | 25.3 | 15% | 0.149 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.6 | -25.7 | 178.2 | -23.4 | 35.9 | 0 | 0 | 0 | 113.9 | P763 V765 A769 G770 D771 | P763-P767 WeakPolarHBondContact O-CD 3.45Å; V765-P767 VanDerWaalsContact C-CD 3.43Å; P767-A769 PolarHBondContact O-N 3.31Å; P767-G770 PolarHBondContact O-N 3.45Å; P767-G770 VanDerWaalsContact O-N 3.16Å; P767-D771 PolarHBondContact O-N 3.12Å |
| 768 | I | 90 | Very high | 87.5 | Confident | 15 Ų | 15 | 22.2 Ų | 22.2 | 8% | 0.077 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.1 | -34.7 | -179.1 | -55.9 | 177.4 | 0 | 0 | 0 | 110.5 | V765 S766 G770 D771 I772 | V765-I768 VanDerWaalsContact O-CB 3.22Å; V765-I768 WeakPolarHBondContact O-CB 3.28Å; V765-I768 VanDerWaalsContact O-CG1 3.28Å; V765-I768 WeakPolarHBondContact O-CG1 3.35Å; V765-I768 PolarHBondContact O-N 2.99Å; V765-I768 VanDerWaalsContact O-N 3.08Å; S766-I768 PolarHBondContact O-N 2.72Å; I768-G770 VanDerWaalsContact C-N 3.28Å; I768-G770 PolarHBondContact O-N 3.07Å; I768-D771 PolarHBondContact O-N 3.36Å; I768-D771 VanDerWaalsContact O-N 3.1Å; I768-I772 HydrophobicContact CG2-CD1 3.73Å; I768-I772 HydrophobicContact CG2-CG1 4.07Å; I768-I772 WeakPolarHBondContact O-CG1 3.36Å; I768-I772 PolarHBondContact O-N 2.87Å |
| 769 | A | 92.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.3 | -46.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A753 A758 S766 P767 D771 I772 L773 T841 | A753-A769 WeakPolarHBondContact O-CB 2.95Å; A758-A769 HydrophobicContact CB-CB 3.78Å; A758-A769 VanDerWaalsContact N-CB 3.34Å; S766-A769 WeakPolarHBondContact O-CB 3.35Å; S766-A769 PolarHBondContact O-N 3.33Å; P767-A769 PolarHBondContact O-N 3.31Å; A769-D771 VanDerWaalsContact C-N 3.33Å; A769-D771 PolarHBondContact O-N 3.33Å; A769-I772 PolarHBondContact O-N 3.48Å; A769-L773 WeakPolarHBondContact O-CB 3.49Å; A769-L773 VanDerWaalsContact O-CG 3.31Å; A769-L773 WeakPolarHBondContact O-CG 3.3Å; A769-L773 PolarHBondContact O-N 3.36Å; A769-T841 HydrophobicContact CB-CG2 3.84Å |
| 770 | G | 90.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.9 | -35.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P767 I768 R774 S844 | P767-G770 PolarHBondContact O-N 3.45Å; P767-G770 VanDerWaalsContact O-N 3.16Å; I768-G770 VanDerWaalsContact C-N 3.28Å; I768-G770 PolarHBondContact O-N 3.07Å; G770-R774 WeakPolarHBondContact O-CB 3.28Å; G770-R774 VanDerWaalsContact O-CG 3.3Å; G770-R774 WeakPolarHBondContact O-CG 3.2Å; G770-R774 PolarHBondContact O-N 2.7Å; G770-S844 WeakPolarHBondContact CA-OG 3.48Å; G770-S844 PolarHBondContact O-OG 3.19Å |
| 771 | D | 89.3 | Confident | 83.5 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.7 | -44 | 177.3 | -62.1 | -40.9 | 0 | 0 | 0 | 111.5 | L717 R725 P767 I768 A769 R774 F775 | L717-D771 HydrophobicContact CD2-CB 4.01Å; R725-D771 WeakPolarHBondContact CB-OD2 3.49Å; R725-D771 WeakPolarHBondContact CD-OD2 3.3Å; R725-D771 IonicContact CZ-OD2 3.1Å; R725-D771 IonicContact NE-OD2 2.7Å; R725-D771 PolarHBondContact NE-OD2 3.48Å; P767-D771 PolarHBondContact O-N 3.12Å; I768-D771 PolarHBondContact O-N 3.36Å; I768-D771 VanDerWaalsContact O-N 3.1Å; A769-D771 VanDerWaalsContact C-N 3.33Å; A769-D771 PolarHBondContact O-N 3.33Å; D771-R774 PolarHBondContact O-N 3.31Å; D771-R774 IonicContact OD1-CZ 2.99Å; D771-R774 IonicContact OD1-NE 3.86Å; D771-R774 IonicContact OD1-NH2 3.87Å; D771-R774 PolarHBondContact OD1-NH2 2.91Å; D771-F775 PolarHBondContact O-N 2.87Å; D771-F775 VanDerWaalsContact O-N 3.08Å |
| 772 | I | 90.7 | Very high | 81.5 | Confident | 9 Ų | 9 | 29.7 Ų | 29.7 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.6 | -50.1 | 175.2 | -66.1 | 173.5 | 0 | 0 | 0 | 110.4 | L717 L749 A753 Y757 I768 A769 R774 F775 L776 | L717-I772 HydrophobicContact CD1-CG1 4.36Å; L749-I772 HydrophobicContact CB-CG2 4.37Å; A753-I772 HydrophobicContact CB-CB 4.24Å; A753-I772 HydrophobicContact CB-CG2 3.92Å; Y757-I772 HydrophobicContact CD2-CD1 4.12Å; Y757-I772 HydrophobicContact CE2-CD1 4.11Å; I768-I772 HydrophobicContact CG2-CD1 3.73Å; I768-I772 HydrophobicContact CG2-CG1 4.07Å; I768-I772 WeakPolarHBondContact O-CG1 3.36Å; I768-I772 PolarHBondContact O-N 2.87Å; A769-I772 PolarHBondContact O-N 3.48Å; I772-R774 VanDerWaalsContact C-N 3.31Å; I772-R774 PolarHBondContact O-N 3.05Å; I772-F775 WeakPolarHBondContact O-CB 3.43Å; I772-F775 PolarHBondContact O-N 3.48Å; I772-F775 VanDerWaalsContact O-N 3.1Å; I772-L776 HydrophobicContact CG2-CD1 3.92Å; I772-L776 HydrophobicContact CG2-CG 4.26Å; I772-L776 WeakPolarHBondContact O-CG 3.18Å; I772-L776 PolarHBondContact O-N 3.18Å |
| 773 | L | 91.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -41.5 | 179.7 | -72.3 | 171.8 | 0 | 0 | 0 | 111.8 | W750 A753 L754 A769 F775 L776 I777 L807 T841 V845 | W750-L773 HydrophobicContact CD2-CD2 4.2Å; W750-L773 HydrophobicContact CE3-CD2 3.88Å; W750-L773 HydrophobicContact CH2-CD2 4.37Å; W750-L773 HydrophobicContact CZ3-CD2 3.98Å; A753-L773 HydrophobicContact CB-CD2 3.96Å; A753-L773 HydrophobicContact CB-CG 3.89Å; L754-L773 HydrophobicContact CD2-CD1 3.82Å; L754-L773 HydrophobicContact CD2-CD2 4.25Å; L754-L773 HydrophobicContact CG-CD2 4.24Å; A769-L773 WeakPolarHBondContact O-CB 3.49Å; A769-L773 VanDerWaalsContact O-CG 3.31Å; A769-L773 WeakPolarHBondContact O-CG 3.3Å; A769-L773 PolarHBondContact O-N 3.36Å; L773-F775 VanDerWaalsContact C-N 3.33Å; L773-F775 PolarHBondContact O-N 2.87Å; L773-L776 PolarHBondContact O-N 3.48Å; L773-I777 HydrophobicContact CB-CD1 4.24Å; L773-I777 VanDerWaalsContact O-CB 3.29Å; L773-I777 WeakPolarHBondContact O-CB 3.42Å; L773-I777 WeakPolarHBondContact O-CD1 3.31Å; L773-I777 WeakPolarHBondContact O-CG1 3.42Å; L773-I777 PolarHBondContact O-N 2.9Å; L773-L807 HydrophobicContact CD1-CD1 4.44Å; L773-T841 HydrophobicContact CD1-CG2 3.61Å; L773-V845 HydrophobicContact CB-CG2 3.9Å; L773-V845 HydrophobicContact CD1-CG2 4.05Å |
| 774 | R | 88.9 | Confident | 77.4 | Confident | 33 Ų | 33 | 32.5 Ų | 32.5 | 13% | 0.125 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.2 | -41.9 | 174.5 | -79.9 | -168.8 | -75.1 | 178.8 | 2.9 | 112.5 | L729 G770 D771 I772 Y778 S844 | L729-R774 HydrophobicContact CD1-CB 4.06Å; L729-R774 HydrophobicContact CD2-CB 3.83Å; L729-R774 HydrophobicContact CD2-CG 4.48Å; L729-R774 VanDerWaalsContact CD2-CZ 3.45Å; G770-R774 WeakPolarHBondContact O-CB 3.28Å; G770-R774 VanDerWaalsContact O-CG 3.3Å; G770-R774 WeakPolarHBondContact O-CG 3.2Å; G770-R774 PolarHBondContact O-N 2.7Å; D771-R774 PolarHBondContact O-N 3.31Å; D771-R774 IonicContact OD1-CZ 2.99Å; D771-R774 IonicContact OD1-NE 3.86Å; D771-R774 IonicContact OD1-NH2 3.87Å; D771-R774 PolarHBondContact OD1-NH2 2.91Å; I772-R774 VanDerWaalsContact C-N 3.31Å; I772-R774 PolarHBondContact O-N 3.05Å; R774-Y778 HydrophobicContact CB-CD2 4.18Å; R774-Y778 HydrophobicContact CG-CD2 4.27Å; R774-Y778 HydrophobicContact CG-CE2 4.12Å; R774-Y778 WeakPolarHBondContact O-CB 3.23Å; R774-Y778 WeakPolarHBondContact O-CD2 3.31Å; R774-Y778 PolarHBondContact O-N 3.03Å; R774-S844 WeakPolarHBondContact CD-O 2.98Å; R774-S844 VanDerWaalsContact CZ-OG 3.22Å; R774-S844 PolarHBondContact NE-OG 3.4Å; R774-S844 PolarHBondContact NH2-OG 3.38Å |
| 775 | F | 88.2 | Confident | 75.2 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 174.9 | 168.5 | -119 | 0 | 0 | 0 | 111.7 | L729 L732 L738 L741 D771 I772 L773 G779 | L729-F775 HydrophobicContact CD1-CB 3.81Å; L732-F775 HydrophobicContact CB-CD2 3.7Å; L732-F775 HydrophobicContact CB-CE2 3.83Å; L732-F775 HydrophobicContact CD1-CD2 4.14Å; L732-F775 HydrophobicContact CD1-CE2 4.49Å; L732-F775 HydrophobicContact CD1-CG 4.19Å; L732-F775 HydrophobicContact CG-CD2 4.46Å; L738-F775 HydrophobicContact CB-CE2 3.94Å; L738-F775 HydrophobicContact CB-CZ 3.86Å; L738-F775 HydrophobicContact CD1-CE1 3.94Å; L738-F775 HydrophobicContact CD1-CZ 3.92Å; L741-F775 HydrophobicContact CD1-CE1 3.92Å; L741-F775 HydrophobicContact CD1-CZ 3.96Å; D771-F775 PolarHBondContact O-N 2.87Å; D771-F775 VanDerWaalsContact O-N 3.08Å; I772-F775 WeakPolarHBondContact O-CB 3.43Å; I772-F775 PolarHBondContact O-N 3.48Å; I772-F775 VanDerWaalsContact O-N 3.1Å; L773-F775 VanDerWaalsContact C-N 3.33Å; L773-F775 PolarHBondContact O-N 2.87Å; F775-G779 WeakPolarHBondContact O-CA 3.25Å; F775-G779 PolarHBondContact O-N 2.94Å |
| 776 | L | 88.1 | Confident | 72.7 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.1 | -33.5 | -179 | -62.1 | -179.6 | 0 | 0 | 0 | 113.6 | L738 I746 L749 W750 I772 L773 | L738-L776 HydrophobicContact CD1-CD2 3.72Å; I746-L776 HydrophobicContact CG2-CD2 4.18Å; L749-L776 HydrophobicContact CB-CD1 4.04Å; W750-L776 HydrophobicContact CB-CD1 3.96Å; W750-L776 HydrophobicContact CE3-CB 4.07Å; W750-L776 HydrophobicContact CE3-CD1 3.98Å; W750-L776 HydrophobicContact CZ3-CB 4.36Å; I772-L776 HydrophobicContact CG2-CD1 3.92Å; I772-L776 HydrophobicContact CG2-CG 4.26Å; I772-L776 WeakPolarHBondContact O-CG 3.18Å; I772-L776 PolarHBondContact O-N 3.18Å; L773-L776 PolarHBondContact O-N 3.48Å |
| 777 | I | 85.9 | Confident | 70.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -77 | -53.7 | -179.8 | -69.7 | 164.4 | 0 | 0 | 0 | 110.6 | W750 L773 V796 K799 A800 A803 V845 | W750-I777 HydrophobicContact CH2-CD1 4.47Å; W750-I777 HydrophobicContact CH2-CG1 4.14Å; W750-I777 HydrophobicContact CZ3-CD1 4.43Å; W750-I777 HydrophobicContact CZ3-CG1 3.82Å; L773-I777 HydrophobicContact CB-CD1 4.24Å; L773-I777 VanDerWaalsContact O-CB 3.29Å; L773-I777 WeakPolarHBondContact O-CB 3.42Å; L773-I777 WeakPolarHBondContact O-CD1 3.31Å; L773-I777 WeakPolarHBondContact O-CG1 3.42Å; L773-I777 PolarHBondContact O-N 2.9Å; I777-V796 HydrophobicContact CG2-CG1 3.71Å; I777-K799 HydrophobicContact CG1-CB 4.31Å; I777-A800 HydrophobicContact CD1-CB 4.17Å; I777-A800 HydrophobicContact CG2-CB 4Å; I777-A803 HydrophobicContact CD1-CB 4.44Å; I777-V845 HydrophobicContact CD1-CG1 3.76Å; I777-V845 HydrophobicContact CD1-CG2 4.28Å |
| 778 | Y | 80.9 | Confident | 67.6 | Low | 10 Ų | 10 | 57.4 Ų | 57.4 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -92.2 | -6.5 | -171 | -60.5 | -69.6 | 0 | 0 | 0 | 113.9 | R774 N780 V796 V845 A871 I873 | R774-Y778 HydrophobicContact CB-CD2 4.18Å; R774-Y778 HydrophobicContact CG-CD2 4.27Å; R774-Y778 HydrophobicContact CG-CE2 4.12Å; R774-Y778 WeakPolarHBondContact O-CB 3.23Å; R774-Y778 WeakPolarHBondContact O-CD2 3.31Å; R774-Y778 PolarHBondContact O-N 3.03Å; Y778-N780 PolarHBondContact O-N 3.42Å; Y778-V796 HydrophobicContact CD1-CG1 3.65Å; Y778-V796 HydrophobicContact CE1-CG1 3.78Å; Y778-V845 PolarHBondContact OH-O 3.25Å; Y778-V845 VanDerWaalsContact OH-O 3.13Å; Y778-A871 HydrophobicContact CD1-CB 3.8Å; Y778-A871 HydrophobicContact CD2-CB 4.27Å; Y778-A871 VanDerWaalsContact CE1-C 3.44Å; Y778-A871 HydrophobicContact CE1-CB 4.31Å; Y778-A871 HydrophobicContact CG-CB 3.78Å; Y778-I873 WeakPolarHBondContact OH-CG1 3.49Å; Y778-I873 PolarHBondContact OH-N 2.84Å |
| 779 | G | 76.1 | Confident | 65.1 | Low | 10 Ų | 10 | 60.1 Ų | 60.1 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F775 | F775-G779 WeakPolarHBondContact O-CA 3.25Å; F775-G779 PolarHBondContact O-N 2.94Å |
| 780 | N | 63.7 | Low | 62.5 | Low | 60 Ų | 60 | 66.9 Ų | 66.9 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 0.2 | -172.2 | -109.3 | 15.7 | 0 | 0 | 0 | 115.5 | Y778 N782 V783 | Y778-N780 PolarHBondContact O-N 3.42Å; N780-N782 PolarHBondContact O-N 3.41Å; N780-N782 VanDerWaalsContact O-N 3.11Å; N780-V783 WeakPolarHBondContact O-CG2 3.34Å |
| 781 | E | 51.4 | Low | 60.1 | Low | 84 Ų | 84 | 70 Ų | 70 | 39% | 0.393 | 38% | 0.378 | S | S | . | . | trans | -65.3 | -15.2 | -172.2 | -78.9 | -170.1 | 166 | 0 | 0 | 115.6 | V783 V796 | E781-V783 PolarHBondContact O-N 3.37Å; E781-V796 HydrophobicContact CG-CG2 3.73Å | ||
| 782 | N | 43.4 | Very low | 57.9 | Low | 90 Ų | 90 | 72.9 Ų | 72.9 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -95.9 | 36.2 | -173.4 | -69 | -17.3 | 0 | 0 | 0 | 114.3 | K739 N780 | K739-N782 PolarHBondContact NZ-O 3.49Å; N780-N782 PolarHBondContact O-N 3.41Å; N780-N782 VanDerWaalsContact O-N 3.11Å |
| 783 | V | 41.3 | Very low | 55.8 | Low | 76 Ų | 76 | 78.1 Ų | 78.1 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | trans | -107 | 119.7 | -171.6 | 176.9 | 0 | 0 | 0 | 0 | 112.5 | N780 E781 | N780-V783 WeakPolarHBondContact O-CG2 3.34Å; E781-V783 PolarHBondContact O-N 3.37Å | ||
| 784 | D | 34.7 | Very low | 54.2 | Low | 153 Ų | 153 | 79.2 Ų | 79.2 | 82% | 0.818 | 44% | 0.443 | S | S | * | . | trans | -73.8 | 134.4 | 150.3 | -68.4 | -44.1 | 0 | 0 | 0 | 108.6 | T786 | D784-T786 VanDerWaalsContact C-N 3.33Å; D784-T786 PolarHBondContact O-N 3.48Å | ||
| 785 | E | 32.1 | Very low | 53.3 | Low | 197 Ų | 197 | 80.2 Ų | 80.2 | 92% | 0.921 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -60.2 | 21.6 | -154.7 | -62.2 | -177.6 | 143.9 | 0 | 0 | 120.8 | ||
| 786 | T | 35.4 | Very low | 52.8 | Low | 121 Ų | 121 | 81.5 Ų | 81.5 | 74% | 0.742 | 46% | 0.463 | S | S | * | . | trans | -100.6 | 4.2 | -163.6 | 59.2 | 0 | 0 | 0 | 0 | 119.1 | D784 | D784-T786 VanDerWaalsContact C-N 3.33Å; D784-T786 PolarHBondContact O-N 3.48Å | ||
| 787 | N | 33.3 | Very low | 52.3 | Low | 142 Ų | 142 | 82.1 Ų | 82.1 | 76% | 0.759 | 47% | 0.467 | S | S | * | . | trans | -115.7 | 111 | -179.1 | -77.7 | -19.9 | 0 | 0 | 0 | 114.3 | L789 | N787-L789 PolarHBondContact O-N 2.9Š| ||
| 788 | Q | 30.6 | Very low | 52.1 | Low | 194 Ų | 194 | 86.1 Ų | 86.1 | 91% | 0.907 | 49% | 0.485 | S | S | * | . | trans | -75.1 | 108.2 | 178.8 | -64.3 | 175.6 | -7 | 0 | 0 | 111.4 | ||||
| 789 | L | 37.6 | Very low | 52.2 | Low | 73 Ų | 73 | 87.4 Ų | 87.4 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | trans | -121.3 | 146.5 | 163 | -120.3 | 87.5 | 0 | 0 | 0 | 109.5 | P743 N787 S791 S792 | P743-L789 HydrophobicContact CB-CD1 4.47Å; P743-L789 HydrophobicContact CB-CD2 3.68Å; P743-L789 HydrophobicContact CB-CG 4.26Å; P743-L789 HydrophobicContact CG-CD1 3.74Å; P743-L789 HydrophobicContact CG-CD2 3.8Å; P743-L789 HydrophobicContact CG-CG 4.08Å; N787-L789 PolarHBondContact O-N 2.9Å; L789-S791 PolarHBondContact O-N 3.31Å; L789-S792 PolarHBondContact N-OG 2.85Å; L789-S792 VanDerWaalsContact O-CB 3.24Å; L789-S792 WeakPolarHBondContact O-CB 3.48Å; L789-S792 PolarHBondContact O-N 2.92Å; L789-S792 PolarHBondContact O-OG 3.38Å | ||
| 790 | P | 39.1 | Very low | 52.7 | Low | 141 Ų | 141 | 87 Ų | 87 | 92% | 0.916 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 1.9 | -163.6 | -15.9 | 30.7 | 0 | 0 | 0 | 117.2 | ||
| 791 | S | 40.3 | Very low | 53.8 | Low | 66 Ų | 66 | 85 Ų | 85 | 46% | 0.462 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | 20.3 | 169.8 | 57.4 | 0 | 0 | 0 | 0 | 112.4 | L789 S793 S794 | L789-S791 PolarHBondContact O-N 3.31Å; S791-S793 VanDerWaalsContact C-N 3.31Å; S791-S793 PolarHBondContact O-N 3.02Å; S791-S794 PolarHBondContact O-OG 3.4Å |
| 792 | S | 43.5 | Very low | 55.4 | Low | 66 Ų | 66 | 86.3 Ų | 86.3 | 46% | 0.462 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -3.1 | -175.8 | 59.8 | 0 | 0 | 0 | 0 | 115.1 | L789 S794 | L789-S792 PolarHBondContact N-OG 2.85Å; L789-S792 VanDerWaalsContact O-CB 3.24Å; L789-S792 WeakPolarHBondContact O-CB 3.48Å; L789-S792 PolarHBondContact O-N 2.92Å; L789-S792 PolarHBondContact O-OG 3.38Å; S792-S794 PolarHBondContact O-N 2.77Å |
| 793 | S | 46.6 | Very low | 57.6 | Low | 119 Ų | 119 | 82 Ų | 82 | 83% | 0.832 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -5.4 | 174.8 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | S791 | S791-S793 VanDerWaalsContact C-N 3.31Å; S791-S793 PolarHBondContact O-N 3.02Å |
| 794 | S | 56.6 | Low | 59.9 | Low | 23 Ų | 23 | 78.4 Ų | 78.4 | 16% | 0.161 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -88.6 | 126 | 180 | 62 | 0 | 0 | 0 | 0 | 112.2 | S791 S792 E798 K799 | S791-S794 PolarHBondContact O-OG 3.4Å; S792-S794 PolarHBondContact O-N 2.77Å; S794-E798 WeakPolarHBondContact CA-OE2 3.3Å; S794-E798 VanDerWaalsContact CB-OE2 3.24Å; S794-E798 WeakPolarHBondContact CB-OE2 3.39Å; S794-K799 WeakPolarHBondContact OG-CE 3.36Å; S794-K799 WeakPolarHBondContact OG-CG 3.26Å |
| 795 | S | 71.7 | Confident | 62.5 | Low | 53 Ų | 53 | 72.7 Ų | 72.7 | 37% | 0.371 | 41% | 0.406 | S | S | . | . | trans | -59 | 157.8 | 173 | 62 | 0 | 0 | 0 | 0 | 111.4 | D797 E798 K799 | S795-D797 PolarHBondContact O-N 3.24Å; S795-E798 WeakPolarHBondContact O-CB 3.44Å; S795-E798 PolarHBondContact O-N 2.91Å; S795-E798 WeakPolarHBondContact OG-CG 3.38Å; S795-E798 PolarHBondContact OG-N 2.89Å; S795-E798 PolarHBondContact OG-OE1 3.14Å; S795-K799 PolarHBondContact O-N 3.47Å; S795-K799 VanDerWaalsContact O-N 3.09Å | ||
| 796 | V | 76.9 | Confident | 65.3 | Low | 30 Ų | 30 | 65.2 Ų | 65.2 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -50.9 | -41.8 | 174.5 | 173.8 | 0 | 0 | 0 | 0 | 111 | I777 Y778 E781 K799 A800 | I777-V796 HydrophobicContact CG2-CG1 3.71Å; Y778-V796 HydrophobicContact CD1-CG1 3.65Å; Y778-V796 HydrophobicContact CE1-CG1 3.78Å; E781-V796 HydrophobicContact CG-CG2 3.73Å; V796-K799 PolarHBondContact O-N 3.04Å; V796-A800 WeakPolarHBondContact O-CB 3.46Å; V796-A800 PolarHBondContact O-N 2.92Å |
| 797 | D | 77.7 | Confident | 68.1 | Low | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -43 | 176.4 | -73.8 | -19.8 | 0 | 0 | 0 | 112.3 | S795 A800 I801 I873 K874 S877 | S795-D797 PolarHBondContact O-N 3.24Å; D797-A800 PolarHBondContact O-N 2.92Å; D797-I801 VanDerWaalsContact O-CB 3.32Å; D797-I801 WeakPolarHBondContact O-CB 3.17Å; D797-I801 WeakPolarHBondContact O-CD1 3.47Å; D797-I801 WeakPolarHBondContact O-CG1 3.36Å; D797-I801 PolarHBondContact O-N 3.1Å; D797-I873 HydrophobicContact CB-CG2 4.45Å; D797-I873 WeakPolarHBondContact OD1-CA 3.37Å; D797-I873 WeakPolarHBondContact OD1-CG2 3.33Å; D797-K874 PolarHBondContact OD1-N 2.94Å; D797-K874 WeakPolarHBondContact OD2-CB 3.5Å; D797-K874 WeakPolarHBondContact OD2-CD 3.43Å; D797-K874 WeakPolarHBondContact OD2-CG 3.32Å; D797-S877 WeakPolarHBondContact CB-OG 3.18Å; D797-S877 VanDerWaalsContact CG-OG 3.24Å; D797-S877 WeakPolarHBondContact OD2-CB 3.43Å; D797-S877 PolarHBondContact OD2-OG 2.92Å |
| 798 | E | 80.2 | Confident | 71 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.4 | -81.2 | 167.6 | -142.9 | 0 | 0 | 112.5 | S794 S795 A800 I801 Q802 | S794-E798 WeakPolarHBondContact CA-OE2 3.3Å; S794-E798 VanDerWaalsContact CB-OE2 3.24Å; S794-E798 WeakPolarHBondContact CB-OE2 3.39Å; S795-E798 WeakPolarHBondContact O-CB 3.44Å; S795-E798 PolarHBondContact O-N 2.91Å; S795-E798 WeakPolarHBondContact OG-CG 3.38Å; S795-E798 PolarHBondContact OG-N 2.89Å; S795-E798 PolarHBondContact OG-OE1 3.14Å; E798-A800 VanDerWaalsContact C-N 3.35Å; E798-I801 PolarHBondContact O-N 3.17Å; E798-Q802 WeakPolarHBondContact O-CB 3.18Å; E798-Q802 VanDerWaalsContact O-CG 3.26Å; E798-Q802 WeakPolarHBondContact O-CG 3.44Å; E798-Q802 PolarHBondContact O-N 3.1Å |
| 799 | K | 84.4 | Confident | 74 | Confident | 38 Ų | 38 | 46.6 Ų | 46.6 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 175.2 | -69.1 | -173.7 | 179.4 | -177.2 | 0 | 111.3 | W750 I777 S794 S795 V796 I801 Q802 A803 | W750-K799 HydrophobicContact CH2-CB 4.17Å; W750-K799 WeakPolarHBondContact CH2-O 3.29Å; I777-K799 HydrophobicContact CG1-CB 4.31Å; S794-K799 WeakPolarHBondContact OG-CE 3.36Å; S794-K799 WeakPolarHBondContact OG-CG 3.26Å; S795-K799 PolarHBondContact O-N 3.47Å; S795-K799 VanDerWaalsContact O-N 3.09Å; V796-K799 PolarHBondContact O-N 3.04Å; K799-I801 VanDerWaalsContact C-N 3.31Å; K799-I801 PolarHBondContact O-N 3.17Å; K799-Q802 PolarHBondContact O-N 3.33Å; K799-A803 PolarHBondContact O-N 3.33Å |
| 800 | A | 86.4 | Confident | 76.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | I777 V796 D797 E798 A803 I804 V845 I873 | I777-A800 HydrophobicContact CD1-CB 4.17Å; I777-A800 HydrophobicContact CG2-CB 4Å; V796-A800 WeakPolarHBondContact O-CB 3.46Å; V796-A800 PolarHBondContact O-N 2.92Å; D797-A800 PolarHBondContact O-N 2.92Å; E798-A800 VanDerWaalsContact C-N 3.35Å; A800-A803 PolarHBondContact O-N 3.17Å; A800-I804 WeakPolarHBondContact O-CD1 3.44Å; A800-I804 WeakPolarHBondContact O-CG1 3.29Å; A800-I804 PolarHBondContact O-N 3.13Å; A800-V845 HydrophobicContact CB-CG1 4.08Å; A800-I873 HydrophobicContact CB-CD1 3.49Å; A800-I873 VanDerWaalsContact CB-CD1 3.49Å; A800-I873 HydrophobicContact CB-CG1 3.72Å |
| 801 | I | 85.6 | Confident | 79.3 | Confident | 20 Ų | 20 | 37.3 Ų | 37.3 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 175.8 | -75 | 167.3 | 0 | 0 | 0 | 111.8 | D797 E798 K799 A803 I804 D805 S877 I882 | D797-I801 VanDerWaalsContact O-CB 3.32Å; D797-I801 WeakPolarHBondContact O-CB 3.17Å; D797-I801 WeakPolarHBondContact O-CD1 3.47Å; D797-I801 WeakPolarHBondContact O-CG1 3.36Å; D797-I801 PolarHBondContact O-N 3.1Å; E798-I801 PolarHBondContact O-N 3.17Å; K799-I801 VanDerWaalsContact C-N 3.31Å; K799-I801 PolarHBondContact O-N 3.17Å; I801-A803 VanDerWaalsContact C-N 3.32Å; I801-A803 PolarHBondContact O-N 3.21Å; I801-I804 PolarHBondContact O-N 3.43Å; I801-D805 WeakPolarHBondContact O-CB 3.28Å; I801-D805 PolarHBondContact O-N 3.24Å; I801-S877 VanDerWaalsContact CD1-O 3.25Å; I801-S877 WeakPolarHBondContact CD1-O 3.32Å; I801-I882 HydrophobicContact CG2-CD1 3.16Å; I801-I882 HydrophobicContact CG2-CG1 4.3Å |
| 802 | Q | 85.8 | Confident | 81.9 | Confident | 110 Ų | 110 | 38.1 Ų | 38.1 | 51% | 0.514 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 177.1 | -76 | 172.2 | 2.3 | 0 | 0 | 111.7 | E798 K799 D805 S806 | E798-Q802 WeakPolarHBondContact O-CB 3.18Å; E798-Q802 VanDerWaalsContact O-CG 3.26Å; E798-Q802 WeakPolarHBondContact O-CG 3.44Å; E798-Q802 PolarHBondContact O-N 3.1Å; K799-Q802 PolarHBondContact O-N 3.33Å; Q802-D805 PolarHBondContact O-N 3.16Å; Q802-S806 WeakPolarHBondContact O-CB 3.43Å; Q802-S806 PolarHBondContact O-N 2.96Å |
| 803 | A | 89.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W750 L754 I777 K799 A800 I801 S806 L807 | W750-A803 HydrophobicContact CH2-CB 3.86Å; W750-A803 HydrophobicContact CZ2-CB 3.94Å; L754-A803 HydrophobicContact CD2-CB 4.29Å; I777-A803 HydrophobicContact CD1-CB 4.44Å; K799-A803 PolarHBondContact O-N 3.33Å; A800-A803 PolarHBondContact O-N 3.17Å; I801-A803 VanDerWaalsContact C-N 3.32Å; I801-A803 PolarHBondContact O-N 3.21Å; A803-S806 PolarHBondContact O-N 3.34Å; A803-L807 VanDerWaalsContact O-CG 3.24Å; A803-L807 WeakPolarHBondContact O-CG 3.35Å; A803-L807 PolarHBondContact O-N 2.97Å |
| 804 | I | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 178 | -68.3 | 162.4 | 0 | 0 | 0 | 110.8 | A800 I801 S806 L807 L808 V845 I846 I873 L878 V887 | A800-I804 WeakPolarHBondContact O-CD1 3.44Å; A800-I804 WeakPolarHBondContact O-CG1 3.29Å; A800-I804 PolarHBondContact O-N 3.13Å; I801-I804 PolarHBondContact O-N 3.43Å; I804-S806 PolarHBondContact O-N 3.41Å; I804-L807 PolarHBondContact O-N 3.46Å; I804-L808 HydrophobicContact CG2-CD1 3.65Å; I804-L808 HydrophobicContact CG2-CG 4.06Å; I804-L808 WeakPolarHBondContact O-CB 3.4Å; I804-L808 VanDerWaalsContact O-CG 3.25Å; I804-L808 WeakPolarHBondContact O-CG 3.45Å; I804-L808 PolarHBondContact O-N 3.45Å; I804-V845 HydrophobicContact CD1-CG1 4.09Å; I804-V845 HydrophobicContact CG1-CG1 3.99Å; I804-I846 HydrophobicContact CD1-CD1 4.02Å; I804-I846 HydrophobicContact CD1-CG1 3.54Å; I804-I846 HydrophobicContact CG1-CG1 4.29Å; I804-I873 HydrophobicContact CD1-CD1 3.73Å; I804-L878 HydrophobicContact CD1-CD2 4.08Å; I804-V887 HydrophobicContact CG2-CG1 3.59Å |
| 805 | D | 89.3 | Confident | 88.4 | Confident | 33 Ų | 33 | 34 Ų | 34 | 18% | 0.176 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -45 | -179.7 | -169.9 | 70.5 | 0 | 0 | 0 | 111.7 | I801 Q802 L807 L808 N809 R890 | I801-D805 WeakPolarHBondContact O-CB 3.28Å; I801-D805 PolarHBondContact O-N 3.24Å; Q802-D805 PolarHBondContact O-N 3.16Å; D805-L807 VanDerWaalsContact C-N 3.35Å; D805-L807 PolarHBondContact O-N 2.8Å; D805-L808 PolarHBondContact O-N 3.38Å; D805-N809 PolarHBondContact O-N 2.95Å; D805-N809 PolarHBondContact O-ND2 2.88Å; D805-N809 VanDerWaalsContact O-ND2 3.14Å; D805-N809 PolarHBondContact OD2-ND2 3.02Å; D805-N809 VanDerWaalsContact OD2-ND2 3.11Å; D805-R890 IonicContact OD1-NH1 2.91Å; D805-R890 PolarHBondContact OD1-NH1 3.38Å |
| 806 | S | 90.8 | Very high | 89.4 | Confident | 40 Ų | 40 | 33.2 Ų | 33.2 | 28% | 0.28 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.1 | -47.3 | 173.4 | -178 | 0 | 0 | 0 | 0 | 111.9 | Q802 A803 I804 L808 N809 Q810 | Q802-S806 WeakPolarHBondContact O-CB 3.43Å; Q802-S806 PolarHBondContact O-N 2.96Å; A803-S806 PolarHBondContact O-N 3.34Å; I804-S806 PolarHBondContact O-N 3.41Å; S806-L808 PolarHBondContact O-N 2.76Å; S806-N809 PolarHBondContact O-N 2.83Å; S806-Q810 WeakPolarHBondContact O-CG 3.38Å; S806-Q810 PolarHBondContact O-N 3.3Å; S806-Q810 VanDerWaalsContact O-N 3.11Å |
| 807 | L | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.4 | -35.3 | 178.7 | -67.4 | 167.7 | 0 | 0 | 0 | 112.6 | L754 A758 L773 A803 I804 D805 Q810 L811 I838 T841 I842 | L754-L807 HydrophobicContact CD2-CD1 4.24Å; L754-L807 HydrophobicContact CD2-CD2 4.01Å; L754-L807 HydrophobicContact CD2-CG 3.89Å; A758-L807 HydrophobicContact CB-CD2 3.68Å; L773-L807 HydrophobicContact CD1-CD1 4.44Å; A803-L807 VanDerWaalsContact O-CG 3.24Å; A803-L807 WeakPolarHBondContact O-CG 3.35Å; A803-L807 PolarHBondContact O-N 2.97Å; I804-L807 PolarHBondContact O-N 3.46Å; D805-L807 VanDerWaalsContact C-N 3.35Å; D805-L807 PolarHBondContact O-N 2.8Å; L807-Q810 PolarHBondContact O-N 2.91Å; L807-L811 WeakPolarHBondContact O-CB 3.35Å; L807-L811 PolarHBondContact O-N 3.33Å; L807-I838 HydrophobicContact CB-CG2 3.99Å; L807-I838 HydrophobicContact CD2-CG2 4.17Å; L807-I838 WeakPolarHBondContact O-CG2 3.04Å; L807-T841 HydrophobicContact CD1-CG2 3.59Å; L807-T841 HydrophobicContact CD2-CG2 4.29Å; L807-I842 HydrophobicContact CB-CD1 3.94Å; L807-I842 HydrophobicContact CB-CG1 3.67Å; L807-I842 HydrophobicContact CD1-CG1 3.83Å; L807-I842 HydrophobicContact CG-CG1 4.39Å |
| 808 | L | 93.7 | Very high | 90.7 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.8 | -36.5 | 175.7 | -69.2 | 172.2 | 0 | 0 | 0 | 111.9 | I804 D805 S806 L811 Q812 I842 V887 R890 I891 L894 | I804-L808 HydrophobicContact CG2-CD1 3.65Å; I804-L808 HydrophobicContact CG2-CG 4.06Å; I804-L808 WeakPolarHBondContact O-CB 3.4Å; I804-L808 VanDerWaalsContact O-CG 3.25Å; I804-L808 WeakPolarHBondContact O-CG 3.45Å; I804-L808 PolarHBondContact O-N 3.45Å; D805-L808 PolarHBondContact O-N 3.38Å; S806-L808 PolarHBondContact O-N 2.76Å; L808-L811 PolarHBondContact O-N 3.41Å; L808-Q812 WeakPolarHBondContact O-CB 3.35Å; L808-Q812 PolarHBondContact O-N 2.99Å; L808-I842 HydrophobicContact CD2-CD1 3.86Å; L808-I842 HydrophobicContact CG-CD1 4.33Å; L808-V887 HydrophobicContact CD1-CG1 4.14Å; L808-R890 HydrophobicContact CD1-CB 4.34Å; L808-R890 HydrophobicContact CD1-CG 4.2Å; L808-I891 HydrophobicContact CD1-CG1 4.1Å; L808-I891 HydrophobicContact CD2-CG1 3.84Å; L808-L894 HydrophobicContact CB-CD1 4.27Å; L808-L894 HydrophobicContact CD2-CD1 3.88Å |
| 809 | N | 93 | Very high | 91.2 | Very high | 64 Ų | 64 | 34.2 Ų | 34.2 | 34% | 0.342 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 172 | -66 | -30.4 | 0 | 0 | 0 | 110.2 | D805 S806 L811 Q812 E813 R890 | D805-N809 PolarHBondContact O-N 2.95Å; D805-N809 PolarHBondContact O-ND2 2.88Å; D805-N809 VanDerWaalsContact O-ND2 3.14Å; D805-N809 PolarHBondContact OD2-ND2 3.02Å; D805-N809 VanDerWaalsContact OD2-ND2 3.11Å; S806-N809 PolarHBondContact O-N 2.83Å; N809-L811 PolarHBondContact O-N 3.35Å; N809-Q812 PolarHBondContact O-N 2.88Å; N809-E813 PolarHBondContact O-N 3.12Å; N809-E813 VanDerWaalsContact O-N 3.09Å; N809-R890 PolarHBondContact OD1-NH1 3.49Å; N809-R890 VanDerWaalsContact OD1-NH1 3.09Å; N809-R890 PolarHBondContact OD1-NH2 3.44Å |
| 810 | Q | 93.1 | Very high | 91.3 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.7 | -65.9 | 174 | 18.8 | 0 | 0 | 112.2 | L754 Q759 S806 L807 Q812 E813 Q814 I838 | L754-Q810 PolarHBondContact O-NE2 2.79Å; L754-Q810 VanDerWaalsContact O-NE2 3.16Å; Q759-Q810 VanDerWaalsContact NE2-NE2 3.1Å; S806-Q810 WeakPolarHBondContact O-CG 3.38Å; S806-Q810 PolarHBondContact O-N 3.3Å; S806-Q810 VanDerWaalsContact O-N 3.11Å; L807-Q810 PolarHBondContact O-N 2.91Å; Q810-Q812 VanDerWaalsContact C-N 3.3Å; Q810-Q812 PolarHBondContact O-N 3.12Å; Q810-E813 PolarHBondContact O-N 3.33Å; Q810-Q814 WeakPolarHBondContact O-CG 3.19Å; Q810-Q814 PolarHBondContact O-N 3.34Å; Q810-I838 HydrophobicContact CB-CD1 4.1Å |
| 811 | L | 94.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 178.1 | -164.1 | 74.7 | 0 | 0 | 0 | 111.5 | L807 L808 N809 Q814 I815 F835 I838 L839 L894 I898 | L807-L811 WeakPolarHBondContact O-CB 3.35Å; L807-L811 PolarHBondContact O-N 3.33Å; L808-L811 PolarHBondContact O-N 3.41Å; N809-L811 PolarHBondContact O-N 3.35Å; L811-Q814 PolarHBondContact O-N 3.16Å; L811-I815 HydrophobicContact CD2-CD1 4.4Å; L811-I815 HydrophobicContact CG-CD1 4.04Å; L811-I815 WeakPolarHBondContact O-CD1 3.18Å; L811-I815 VanDerWaalsContact O-CG1 3.23Å; L811-I815 WeakPolarHBondContact O-CG1 3.04Å; L811-I815 PolarHBondContact O-N 3.38Å; L811-F835 HydrophobicContact CD1-CB 4.39Å; L811-F835 HydrophobicContact CD1-CD1 3.85Å; L811-I838 HydrophobicContact CB-CG2 4.26Å; L811-I838 HydrophobicContact CD1-CB 4.1Å; L811-I838 HydrophobicContact CD1-CD1 4.4Å; L811-I838 HydrophobicContact CD1-CG2 4.06Å; L811-L839 HydrophobicContact CD1-CG 4.27Å; L811-L839 HydrophobicContact CD2-CD2 4.01Å; L811-L894 HydrophobicContact CD2-CB 4.01Å; L811-L894 HydrophobicContact CD2-CD1 4.2Å; L811-I898 HydrophobicContact CD1-CD1 3.77Å; L811-I898 HydrophobicContact CD2-CD1 3.69Å; L811-I898 HydrophobicContact CG-CD1 3.83Å |
| 812 | Q | 94.9 | Very high | 91 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 39% | 0.388 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.3 | -38.3 | 179.2 | -178.1 | 170.7 | -21.7 | 0 | 0 | 112.4 | L808 N809 Q810 I815 A816 L894 | L808-Q812 WeakPolarHBondContact O-CB 3.35Å; L808-Q812 PolarHBondContact O-N 2.99Å; N809-Q812 PolarHBondContact O-N 2.88Å; Q810-Q812 VanDerWaalsContact C-N 3.3Å; Q810-Q812 PolarHBondContact O-N 3.12Å; Q812-I815 PolarHBondContact O-N 2.6Å; Q812-A816 WeakPolarHBondContact O-CB 3.36Å; Q812-A816 PolarHBondContact O-N 3.1Å; Q812-L894 HydrophobicContact CB-CD1 4.46Å; Q812-L894 HydrophobicContact CB-CD2 4.17Å; Q812-L894 HydrophobicContact CG-CD2 4.34Å |
| 813 | E | 93 | Very high | 90.8 | Very high | 112 Ų | 112 | 43.7 Ų | 43.7 | 52% | 0.523 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 172 | -69.8 | 170.8 | -174.1 | 0 | 0 | 111.4 | N809 Q810 I815 A816 I817 | N809-E813 PolarHBondContact O-N 3.12Å; N809-E813 VanDerWaalsContact O-N 3.09Å; Q810-E813 PolarHBondContact O-N 3.33Å; E813-I815 PolarHBondContact O-N 3.11Å; E813-A816 PolarHBondContact O-N 3.04Å; E813-I817 WeakPolarHBondContact O-CG1 3.39Å; E813-I817 PolarHBondContact O-N 2.92Å; E813-I817 VanDerWaalsContact O-N 3.16Å |
| 814 | Q | 94.1 | Very high | 90.5 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | 179.3 | -60.3 | -48.8 | -59.3 | 0 | 0 | 112.3 | Q810 L811 I817 C818 V829 N832 K833 F835 | Q810-Q814 WeakPolarHBondContact O-CG 3.19Å; Q810-Q814 PolarHBondContact O-N 3.34Å; L811-Q814 PolarHBondContact O-N 3.16Å; Q814-I817 PolarHBondContact O-N 3.28Å; Q814-C818 PolarHBondContact O-N 3.01Å; Q814-V829 HydrophobicContact CB-CG1 4.09Å; Q814-V829 HydrophobicContact CB-CG2 4.15Å; Q814-N832 PolarHBondContact OE1-O 3.48Å; Q814-K833 HydrophobicContact CG-CB 4.08Å; Q814-F835 HydrophobicContact CB-CD1 4.15Å; Q814-F835 HydrophobicContact CB-CE1 3.61Å |
| 815 | I | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.6 | -42.5 | 174.6 | -69.1 | 161.9 | 0 | 0 | 0 | 110.6 | L811 Q812 E813 I817 C818 E819 F835 L894 R897 I898 I901 | L811-I815 HydrophobicContact CD2-CD1 4.4Å; L811-I815 HydrophobicContact CG-CD1 4.04Å; L811-I815 WeakPolarHBondContact O-CD1 3.18Å; L811-I815 VanDerWaalsContact O-CG1 3.23Å; L811-I815 WeakPolarHBondContact O-CG1 3.04Å; L811-I815 PolarHBondContact O-N 3.38Å; Q812-I815 PolarHBondContact O-N 2.6Å; E813-I815 PolarHBondContact O-N 3.11Å; I815-I817 VanDerWaalsContact C-N 3.28Å; I815-I817 PolarHBondContact O-N 3.46Å; I815-C818 PolarHBondContact O-N 3.18Å; I815-C818 VanDerWaalsContact O-N 3.16Å; I815-E819 HydrophobicContact CG2-CG 4.19Å; I815-E819 WeakPolarHBondContact CG2-OE1 3.49Å; I815-E819 WeakPolarHBondContact O-CG 3.32Å; I815-E819 PolarHBondContact O-N 3.17Å; I815-F835 HydrophobicContact CG1-CD1 4.49Å; I815-F835 HydrophobicContact CG1-CE1 3.69Å; I815-F835 HydrophobicContact CG1-CZ 4.05Å; I815-L894 HydrophobicContact CD1-CB 3.84Å; I815-L894 HydrophobicContact CD1-CD2 3.66Å; I815-L894 HydrophobicContact CD1-CG 4.26Å; I815-R897 HydrophobicContact CG2-CB 4.11Å; I815-R897 VanDerWaalsContact CG2-CZ 3.46Å; I815-R897 VanDerWaalsContact CG2-NH2 3.3Å; I815-I898 HydrophobicContact CD1-CD1 3.95Å; I815-I898 HydrophobicContact CD1-CG1 3.72Å; I815-I898 HydrophobicContact CG1-CD1 4.31Å; I815-I898 HydrophobicContact CG1-CG1 3.76Å; I815-I901 HydrophobicContact CG2-CD1 3.89Å |
| 816 | A | 93.5 | Very high | 90.4 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 30% | 0.298 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.2 | -35.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q812 E813 K820 | Q812-A816 WeakPolarHBondContact O-CB 3.36Å; Q812-A816 PolarHBondContact O-N 3.1Å; E813-A816 PolarHBondContact O-N 3.04Å; A816-K820 WeakPolarHBondContact O-CB 3.2Å; A816-K820 WeakPolarHBondContact O-CG 3.21Å; A816-K820 PolarHBondContact O-N 2.98Å; A816-K820 VanDerWaalsContact O-N 3.11Å |
| 817 | I | 90.3 | Very high | 90.2 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 29% | 0.287 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.1 | -49.2 | 173 | -65.8 | 167.9 | 0 | 0 | 0 | 110.4 | E813 Q814 I815 E819 K820 L821 V829 L937 | E813-I817 WeakPolarHBondContact O-CG1 3.39Å; E813-I817 PolarHBondContact O-N 2.92Å; E813-I817 VanDerWaalsContact O-N 3.16Å; Q814-I817 PolarHBondContact O-N 3.28Å; I815-I817 VanDerWaalsContact C-N 3.28Å; I815-I817 PolarHBondContact O-N 3.46Å; I817-E819 PolarHBondContact O-N 2.98Å; I817-K820 PolarHBondContact O-N 3.45Å; I817-L821 PolarHBondContact O-N 2.86Å; I817-L821 VanDerWaalsContact O-N 3.1Å; I817-V829 HydrophobicContact CB-CG2 4.43Å; I817-V829 HydrophobicContact CG2-CG2 4.29Å; I817-L937 HydrophobicContact CG2-CD1 3.65Å; I817-L937 HydrophobicContact CG2-CD2 4.43Å |
| 818 | C | 91.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 178.2 | -67.9 | 0 | 0 | 0 | 0 | 112.8 | Q814 I815 L821 P822 L826 V829 F835 I901 | Q814-C818 PolarHBondContact O-N 3.01Å; I815-C818 PolarHBondContact O-N 3.18Å; I815-C818 VanDerWaalsContact O-N 3.16Å; C818-L821 CarbonylContact O-C 3.45Å; C818-L821 PolarHBondContact O-N 3.03Å; C818-P822 WeakPolarHBondContact O-CA 3.36Å; C818-L826 VanDerWaalsContact SG-CA 3.51Å; C818-V829 VanDerWaalsContact SG-CG2 3.59Å; C818-F835 HydrophobicContact CB-CZ 4.45Å; C818-I901 HydrophobicContact CB-CD1 3.79Å; C818-I901 HydrophobicContact CB-CG1 4.29Å; C818-I901 HydrophobicContact CB-CG2 3.95Å |
| 819 | E | 91.3 | Very high | 89.7 | Confident | 94 Ų | 94 | 43.1 Ų | 43.1 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.4 | -33.3 | -179.1 | -73.6 | 175.9 | 172 | 0 | 0 | 113 | I815 I817 R897 I901 | I815-E819 HydrophobicContact CG2-CG 4.19Å; I815-E819 WeakPolarHBondContact CG2-OE1 3.49Å; I815-E819 WeakPolarHBondContact O-CG 3.32Å; I815-E819 PolarHBondContact O-N 3.17Å; I817-E819 PolarHBondContact O-N 2.98Å; E819-R897 IonicContact OE1-CZ 2.75Å; E819-R897 VanDerWaalsContact OE1-CZ 3.31Å; E819-R897 IonicContact OE1-NE 3.59Å; E819-R897 PolarHBondContact OE1-NE 3.34Å; E819-R897 IonicContact OE1-NH2 3.15Å; E819-R897 PolarHBondContact OE1-NH2 3Å; E819-R897 VanDerWaalsContact OE1-NH2 3.09Å; E819-R897 IonicContact OE2-CZ 2.71Å; E819-R897 IonicContact OE2-NE 2.84Å; E819-R897 IonicContact OE2-NH2 2.89Å; E819-R897 PolarHBondContact OE2-NH2 3.4Å; E819-I901 HydrophobicContact CG-CD1 4.25Å |
| 820 | K | 86.5 | Confident | 89.5 | Confident | 174 Ų | 174 | 40.2 Ų | 40.2 | 76% | 0.757 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -67.4 | -41.2 | 172.7 | -75 | 178.5 | 179.9 | -177 | 0 | 111.7 | A816 I817 | A816-K820 WeakPolarHBondContact O-CB 3.2Å; A816-K820 WeakPolarHBondContact O-CG 3.21Å; A816-K820 PolarHBondContact O-N 2.98Å; A816-K820 VanDerWaalsContact O-N 3.11Å; I817-K820 PolarHBondContact O-N 3.45Å |
| 821 | L | 84.6 | Confident | 89.1 | Confident | 73 Ų | 73 | 40.6 Ų | 40.6 | 38% | 0.382 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -134.7 | 85.7 | -176.8 | -66.8 | 170 | 0 | 0 | 0 | 109.8 | I817 C818 V823 I824 G825 L937 | I817-L821 PolarHBondContact O-N 2.86Å; I817-L821 VanDerWaalsContact O-N 3.1Å; C818-L821 CarbonylContact O-C 3.45Å; C818-L821 PolarHBondContact O-N 3.03Å; L821-V823 PolarHBondContact O-N 2.85Å; L821-I824 HydrophobicContact CB-CB 4.32Å; L821-G825 WeakPolarHBondContact O-CA 3.32Å; L821-G825 PolarHBondContact O-N 2.94Å; L821-L937 HydrophobicContact CD1-CD2 3.54Å |
| 822 | P | 80.8 | Confident | 88.8 | Confident | 89 Ų | 89 | 43.3 Ų | 43.3 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -53.5 | -45 | -170.3 | -31.6 | 37.3 | 0 | 0 | 0 | 115.8 | C818 L826 | C818-P822 WeakPolarHBondContact O-CA 3.36Å; P822-L826 VanDerWaalsContact O-CB 3.22Å; P822-L826 WeakPolarHBondContact O-CB 3.29Å |
| 823 | V | 80.8 | Confident | 88.6 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -84.6 | -56.6 | -177.8 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | L821 G825 L826 M827 L916 | L821-V823 PolarHBondContact O-N 2.85Å; V823-G825 PolarHBondContact O-N 3.47Å; V823-L826 PolarHBondContact O-N 2.89Å; V823-M827 HydrophobicContact CG1-CE 3.96Å; V823-M827 HydrophobicContact CG1-SD 4.34Å; V823-M827 WeakPolarHBondContact O-CG 3.31Å; V823-M827 PolarHBondContact O-N 3.44Å; V823-M827 VanDerWaalsContact O-N 3.08Å; V823-L916 HydrophobicContact CG1-CB 4.31Å; V823-L916 WeakPolarHBondContact CG1-O 3.49Å; V823-L916 HydrophobicContact CG2-CB 4.25Å |
| 824 | I | 83 | Confident | 88.6 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | -176.4 | -60.7 | 172.8 | 0 | 0 | 0 | 110.8 | L821 M827 S828 L937 Y941 | L821-I824 HydrophobicContact CB-CB 4.32Å; I824-M827 PolarHBondContact O-N 3.38Å; I824-S828 WeakPolarHBondContact O-CB 3.23Å; I824-S828 PolarHBondContact O-N 3.04Å; I824-S828 PolarHBondContact O-OG 3.33Å; I824-L937 HydrophobicContact CG2-CD2 4.05Å; I824-L937 HydrophobicContact CG2-CG 4.22Å; I824-Y941 HydrophobicContact CB-CD2 4.3Å; I824-Y941 HydrophobicContact CG1-CD2 4.18Å; I824-Y941 HydrophobicContact CG1-CE2 4.26Å; I824-Y941 HydrophobicContact CG2-CD2 4.26Å; I824-Y941 HydrophobicContact CG2-CG 4.2Å |
| 825 | G | 88.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -49.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L821 V823 M827 S828 V829 | L821-G825 WeakPolarHBondContact O-CA 3.32Å; L821-G825 PolarHBondContact O-N 2.94Å; V823-G825 PolarHBondContact O-N 3.47Å; G825-M827 VanDerWaalsContact C-N 3.34Å; G825-M827 PolarHBondContact O-N 3.5Å; G825-S828 WeakPolarHBondContact O-CB 3.37Å; G825-S828 PolarHBondContact O-N 2.7Å; G825-S828 VanDerWaalsContact O-N 3.08Å; G825-V829 WeakPolarHBondContact O-CG2 3.13Å; G825-V829 PolarHBondContact O-N 3.33Å |
| 826 | L | 89.2 | Confident | 88.6 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 178.4 | 180 | 58.3 | 0 | 0 | 0 | 112.1 | C818 P822 V823 S828 V829 V830 F835 I901 V905 L951 | C818-L826 VanDerWaalsContact SG-CA 3.51Å; P822-L826 VanDerWaalsContact O-CB 3.22Å; P822-L826 WeakPolarHBondContact O-CB 3.29Å; V823-L826 PolarHBondContact O-N 2.89Å; L826-S828 PolarHBondContact O-N 2.85Å; L826-V829 PolarHBondContact O-N 3.14Å; L826-V830 VanDerWaalsContact O-CG2 3.29Å; L826-V830 WeakPolarHBondContact O-CG2 3.25Å; L826-V830 PolarHBondContact O-N 3.43Å; L826-V830 VanDerWaalsContact O-N 3.14Å; L826-F835 HydrophobicContact CD1-CE2 4.15Å; L826-I901 HydrophobicContact CB-CG2 4.49Å; L826-I901 HydrophobicContact CD1-CG2 3.83Å; L826-I901 HydrophobicContact CD2-CG2 4.18Å; L826-I901 HydrophobicContact CG-CG2 4.38Å; L826-V905 HydrophobicContact CD2-CG2 3.89Å; L826-L951 HydrophobicContact CD2-CD1 4.12Å; L826-L951 HydrophobicContact CG-CD1 3.93Å |
| 827 | M | 86.9 | Confident | 88.5 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.02 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -32.8 | 176.8 | -74.4 | -173.9 | -175 | 0 | 0 | 112.4 | V823 I824 G825 L915 Y941 T944 L951 | V823-M827 HydrophobicContact CG1-CE 3.96Å; V823-M827 HydrophobicContact CG1-SD 4.34Å; V823-M827 WeakPolarHBondContact O-CG 3.31Å; V823-M827 PolarHBondContact O-N 3.44Å; V823-M827 VanDerWaalsContact O-N 3.08Å; I824-M827 PolarHBondContact O-N 3.38Å; G825-M827 VanDerWaalsContact C-N 3.34Å; G825-M827 PolarHBondContact O-N 3.5Å; M827-L915 HydrophobicContact CE-CD2 3.65Å; M827-L915 HydrophobicContact CE-CG 4.07Å; M827-L915 HydrophobicContact SD-CD2 4.34Å; M827-Y941 HydrophobicContact CB-CD2 3.82Å; M827-Y941 HydrophobicContact CG-CD2 4.27Å; M827-Y941 HydrophobicContact SD-CD2 3.53Å; M827-Y941 VanDerWaalsContact SD-CD2 3.53Å; M827-Y941 HydrophobicContact SD-CE2 3.38Å; M827-Y941 WeakPolarHBondContact SD-CE2 3.48Å; M827-T944 HydrophobicContact CB-CG2 4Å; M827-T944 HydrophobicContact CG-CG2 4.01Å; M827-T944 VanDerWaalsContact O-CB 3.27Å; M827-T944 WeakPolarHBondContact O-CB 3.44Å; M827-T944 PolarHBondContact O-OG1 3.33Å; M827-L951 HydrophobicContact CE-CD2 3.98Å; M827-L951 HydrophobicContact CG-CD2 4.31Å |
| 828 | S | 87.6 | Confident | 88.8 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.5 | -43.6 | 177.6 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | I824 G825 L826 V830 T831 N832 L937 Y941 | I824-S828 WeakPolarHBondContact O-CB 3.23Å; I824-S828 PolarHBondContact O-N 3.04Å; I824-S828 PolarHBondContact O-OG 3.33Å; G825-S828 WeakPolarHBondContact O-CB 3.37Å; G825-S828 PolarHBondContact O-N 2.7Å; G825-S828 VanDerWaalsContact O-N 3.08Å; L826-S828 PolarHBondContact O-N 2.85Å; S828-V830 PolarHBondContact O-N 3.17Å; S828-T831 PolarHBondContact O-N 2.96Å; S828-T831 VanDerWaalsContact O-N 3.16Å; S828-T831 PolarHBondContact O-OG1 3.3Å; S828-T831 VanDerWaalsContact O-OG1 3.11Å; S828-N832 PolarHBondContact O-N 2.84Å; S828-L937 WeakPolarHBondContact OG-CD1 3.26Å; S828-L937 WeakPolarHBondContact OG-CG 3.22Å; S828-L937 PolarHBondContact OG-O 3.31Å; S828-Y941 PolarHBondContact OG-N 3.23Å |
| 829 | V | 90.9 | Very high | 88.9 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -33.7 | 177.4 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | Q814 I817 C818 G825 L826 T831 N832 K833 P834 F835 | Q814-V829 HydrophobicContact CB-CG1 4.09Å; Q814-V829 HydrophobicContact CB-CG2 4.15Å; I817-V829 HydrophobicContact CB-CG2 4.43Å; I817-V829 HydrophobicContact CG2-CG2 4.29Å; C818-V829 VanDerWaalsContact SG-CG2 3.59Å; G825-V829 WeakPolarHBondContact O-CG2 3.13Å; G825-V829 PolarHBondContact O-N 3.33Å; L826-V829 PolarHBondContact O-N 3.14Å; V829-T831 VanDerWaalsContact C-N 3.3Å; V829-T831 PolarHBondContact O-N 3.04Å; V829-N832 CarbonylContact C-O 3.32Å; V829-N832 WeakPolarHBondContact CA-O 3.4Å; V829-N832 CarbonylContact O-C 3.55Å; V829-N832 PolarHBondContact O-N 3.29Å; V829-K833 CarbonylContact O-C 3.19Å; V829-P834 WeakPolarHBondContact O-CA 3.44Å; V829-P834 VanDerWaalsContact O-N 3.17Å; V829-F835 HydrophobicContact CG1-CD1 4.15Å; V829-F835 HydrophobicContact CG1-CD2 4.48Å; V829-F835 HydrophobicContact CG1-CE1 3.96Å; V829-F835 HydrophobicContact CG1-CE2 4.3Å; V829-F835 HydrophobicContact CG1-CG 4.42Å; V829-F835 HydrophobicContact CG1-CZ 4.04Å |
| 830 | V | 88.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.6 | -36.8 | 177.8 | 160.7 | 0 | 0 | 0 | 0 | 112.9 | L826 S828 T944 Y950 L951 C954 | L826-V830 VanDerWaalsContact O-CG2 3.29Å; L826-V830 WeakPolarHBondContact O-CG2 3.25Å; L826-V830 PolarHBondContact O-N 3.43Å; L826-V830 VanDerWaalsContact O-N 3.14Å; S828-V830 PolarHBondContact O-N 3.17Å; V830-T944 HydrophobicContact CB-CG2 4.29Å; V830-T944 HydrophobicContact CG1-CG2 3.95Å; V830-Y950 HydrophobicContact CG1-CD1 3.35Å; V830-Y950 HydrophobicContact CG1-CE1 3.38Å; V830-Y950 HydrophobicContact CG1-CG 4.45Å; V830-Y950 WeakPolarHBondContact O-CE1 3.34Å; V830-L951 HydrophobicContact CG2-CD1 3.77Å; V830-C954 HydrophobicContact CB-CB 4.43Å; V830-C954 HydrophobicContact CG1-CB 4.06Å; V830-C954 HydrophobicContact CG2-CB 3.81Å |
| 831 | T | 85.3 | Confident | 89.2 | Confident | 26 Ų | 26 | 19.9 Ų | 19.9 | 16% | 0.16 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -92.2 | -25.1 | 178.7 | 45.9 | 0 | 0 | 0 | 0 | 113.2 | S761 S828 V829 F940 K943 T944 Y950 | S761-T831 VanDerWaalsContact CB-O 3.3Å; S761-T831 WeakPolarHBondContact CB-O 3.39Å; S761-T831 PolarHBondContact OG-O 3.48Å; S761-T831 VanDerWaalsContact OG-O 3.1Å; S828-T831 PolarHBondContact O-N 2.96Å; S828-T831 VanDerWaalsContact O-N 3.16Å; S828-T831 PolarHBondContact O-OG1 3.3Å; S828-T831 VanDerWaalsContact O-OG1 3.11Å; V829-T831 VanDerWaalsContact C-N 3.3Å; V829-T831 PolarHBondContact O-N 3.04Å; T831-F940 WeakPolarHBondContact OG1-CB 3.34Å; T831-F940 PolarHBondContact OG1-O 3.11Å; T831-K943 HydrophobicContact CG2-CB 4.08Å; T831-T944 WeakPolarHBondContact CG2-OG1 3.47Å; T831-Y950 HydrophobicContact CG2-CE1 4.44Å |
| 832 | N | 87.7 | Confident | 89.6 | Confident | 58 Ų | 58 | 16.5 Ų | 16.5 | 31% | 0.31 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -126.1 | 106.5 | -178.7 | -172.8 | 28 | 0 | 0 | 0 | 110.6 | Q814 S828 V829 F940 | Q814-N832 PolarHBondContact OE1-O 3.48Å; S828-N832 PolarHBondContact O-N 2.84Å; V829-N832 CarbonylContact C-O 3.32Å; V829-N832 WeakPolarHBondContact CA-O 3.4Å; V829-N832 CarbonylContact O-C 3.55Å; V829-N832 PolarHBondContact O-N 3.29Å; N832-F940 HydrophobicContact CB-CD1 3.96Å; N832-F940 HydrophobicContact CB-CD2 4.05Å; N832-F940 HydrophobicContact CB-CE1 3.88Å; N832-F940 HydrophobicContact CB-CE2 3.97Å; N832-F940 HydrophobicContact CB-CG 4.06Å; N832-F940 HydrophobicContact CB-CZ 3.89Å; N832-F940 WeakPolarHBondContact ND2-CE2 3.27Å |
| 833 | K | 90.4 | Very high | 90.1 | Very high | 54 Ų | 54 | 15 Ų | 15 | 24% | 0.235 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 60.8 | 59.6 | 178.8 | -40.2 | -170.5 | -176 | -162.7 | 0 | 114.8 | Q759 Q814 V829 | Q759-K833 HydrophobicContact CB-CB 4.42Å; Q759-K833 HydrophobicContact CB-CD 4.43Å; Q759-K833 HydrophobicContact CB-CG 4.09Å; Q759-K833 HydrophobicContact CG-CD 4.28Å; Q759-K833 HydrophobicContact CG-CG 4.42Å; Q759-K833 WeakPolarHBondContact O-CA 2.66Å; Q814-K833 HydrophobicContact CG-CB 4.08Å; V829-K833 CarbonylContact O-C 3.19Å |
| 834 | P | 93.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | trans | -69.2 | 146.9 | -174.8 | 28.7 | -35.2 | 0 | 0 | 0 | 113.4 | V829 Y836 A837 | V829-P834 WeakPolarHBondContact O-CA 3.44Å; V829-P834 VanDerWaalsContact O-N 3.17Å; P834-Y836 VanDerWaalsContact C-N 3.32Å; P834-Y836 HydrophobicContact CB-CD1 3.81Å; P834-Y836 HydrophobicContact CB-CE1 3.75Å; P834-Y836 HydrophobicContact CG-CD1 3.98Å; P834-Y836 HydrophobicContact CG-CE1 3.49Å; P834-Y836 VanDerWaalsContact CG-CE1 3.49Å; P834-Y836 PolarHBondContact O-N 3.21Å; P834-A837 HydrophobicContact CG-CB 4.04Å; P834-A837 WeakPolarHBondContact O-CB 3.25Å; P834-A837 PolarHBondContact O-N 3.04Å; P834-A837 VanDerWaalsContact O-N 3.08Å | ||
| 835 | F | 95.8 | Very high | 90.6 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 2% | 0.022 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -50.9 | -46.6 | -178.7 | -59.6 | -43.5 | 0 | 0 | 0 | 113.7 | L811 Q814 I815 C818 L826 V829 A837 I838 L839 I898 I901 V902 | L811-F835 HydrophobicContact CD1-CB 4.39Å; L811-F835 HydrophobicContact CD1-CD1 3.85Å; Q814-F835 HydrophobicContact CB-CD1 4.15Å; Q814-F835 HydrophobicContact CB-CE1 3.61Å; I815-F835 HydrophobicContact CG1-CD1 4.49Å; I815-F835 HydrophobicContact CG1-CE1 3.69Å; I815-F835 HydrophobicContact CG1-CZ 4.05Å; C818-F835 HydrophobicContact CB-CZ 4.45Å; L826-F835 HydrophobicContact CD1-CE2 4.15Å; V829-F835 HydrophobicContact CG1-CD1 4.15Å; V829-F835 HydrophobicContact CG1-CD2 4.48Å; V829-F835 HydrophobicContact CG1-CE1 3.96Å; V829-F835 HydrophobicContact CG1-CE2 4.3Å; V829-F835 HydrophobicContact CG1-CG 4.42Å; V829-F835 HydrophobicContact CG1-CZ 4.04Å; F835-A837 PolarHBondContact O-N 3.2Å; F835-I838 PolarHBondContact O-N 3.46Å; F835-L839 HydrophobicContact CB-CD1 4.21Å; F835-L839 VanDerWaalsContact O-CB 3.3Å; F835-L839 WeakPolarHBondContact O-CB 3.24Å; F835-L839 WeakPolarHBondContact O-CG 3.45Å; F835-L839 PolarHBondContact O-N 3.06Å; F835-I898 HydrophobicContact CB-CD1 4.24Å; F835-I898 HydrophobicContact CB-CG2 4.3Å; F835-I898 HydrophobicContact CD1-CD1 4.07Å; F835-I898 HydrophobicContact CD1-CG1 4.17Å; F835-I898 HydrophobicContact CD2-CG1 4.23Å; F835-I898 HydrophobicContact CD2-CG2 3.8Å; F835-I898 HydrophobicContact CE1-CG1 4.3Å; F835-I898 HydrophobicContact CE2-CG1 4.36Å; F835-I898 HydrophobicContact CE2-CG2 4.36Å; F835-I898 HydrophobicContact CG-CD1 4.09Å; F835-I898 HydrophobicContact CG-CG1 4.13Å; F835-I898 HydrophobicContact CG-CG2 4.15Å; F835-I898 HydrophobicContact CZ-CG1 4.39Å; F835-I901 HydrophobicContact CE2-CG2 4.13Å; F835-I901 HydrophobicContact CZ-CD1 4.4Å; F835-V902 HydrophobicContact CD2-CG1 4.5Å |
| 836 | Y | 93.5 | Very high | 90.4 | Very high | 3 Ų | 3 | 11.9 Ų | 11.9 | 1% | 0.012 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.3 | -33.6 | -176.4 | 84.5 | -91.5 | 0 | 0 | 0 | 112.7 | S761 P763 P834 S840 C954 R957 S958 | S761-Y836 PolarHBondContact O-OH 3.45Å; P763-Y836 WeakPolarHBondContact CA-OH 3.47Å; P763-Y836 HydrophobicContact CB-CE2 4.16Å; P763-Y836 WeakPolarHBondContact CB-OH 3.18Å; P763-Y836 VanDerWaalsContact N-OH 3.14Å; P834-Y836 VanDerWaalsContact C-N 3.32Å; P834-Y836 HydrophobicContact CB-CD1 3.81Å; P834-Y836 HydrophobicContact CB-CE1 3.75Å; P834-Y836 HydrophobicContact CG-CD1 3.98Å; P834-Y836 HydrophobicContact CG-CE1 3.49Å; P834-Y836 VanDerWaalsContact CG-CE1 3.49Å; P834-Y836 PolarHBondContact O-N 3.21Å; Y836-S840 VanDerWaalsContact O-CB 3.24Å; Y836-S840 WeakPolarHBondContact O-CB 3.46Å; Y836-S840 PolarHBondContact O-N 3.41Å; Y836-S840 PolarHBondContact O-OG 3.24Å; Y836-C954 HydrophobicContact CD1-CB 4.23Å; Y836-C954 HydrophobicContact CE1-CB 4.45Å; Y836-R957 HydrophobicContact CD1-CB 4.49Å; Y836-R957 HydrophobicContact CD2-CB 4.25Å; Y836-R957 HydrophobicContact CG-CB 3.92Å; Y836-S958 PolarHBondContact N-OG 3.13Å |
| 837 | A | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -67.1 | -51.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A758 S760 S766 P834 F835 S840 T841 | A758-A837 CarbonylContact O-C 3.37Å; A758-A837 VanDerWaalsContact O-CB 3.28Å; A758-A837 WeakPolarHBondContact O-CB 3.47Å; S760-A837 WeakPolarHBondContact O-CB 3.2Å; S766-A837 VanDerWaalsContact CB-CB 3.41Å; P834-A837 HydrophobicContact CG-CB 4.04Å; P834-A837 WeakPolarHBondContact O-CB 3.25Å; P834-A837 PolarHBondContact O-N 3.04Å; P834-A837 VanDerWaalsContact O-N 3.08Å; F835-A837 PolarHBondContact O-N 3.2Å; A837-S840 PolarHBondContact O-N 2.84Å; A837-S840 PolarHBondContact O-OG 3.49Å; A837-T841 PolarHBondContact O-N 3.06Å; A837-T841 PolarHBondContact O-OG1 3.33Å |
| 838 | I | 95.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.1 | -47 | 177.2 | -58.6 | 173.6 | 0 | 0 | 0 | 110.3 | A758 L807 Q810 L811 F835 S840 T841 I842 | A758-I838 PolarHBondContact O-N 2.82Å; L807-I838 HydrophobicContact CB-CG2 3.99Å; L807-I838 HydrophobicContact CD2-CG2 4.17Å; L807-I838 WeakPolarHBondContact O-CG2 3.04Å; Q810-I838 HydrophobicContact CB-CD1 4.1Å; L811-I838 HydrophobicContact CB-CG2 4.26Å; L811-I838 HydrophobicContact CD1-CB 4.1Å; L811-I838 HydrophobicContact CD1-CD1 4.4Å; L811-I838 HydrophobicContact CD1-CG2 4.06Å; F835-I838 PolarHBondContact O-N 3.46Å; I838-S840 VanDerWaalsContact C-N 3.32Å; I838-S840 PolarHBondContact O-N 3.08Å; I838-T841 WeakPolarHBondContact O-CB 3.11Å; I838-T841 PolarHBondContact O-N 3.48Å; I838-T841 VanDerWaalsContact O-N 3.1Å; I838-I842 HydrophobicContact CG2-CD1 4Å; I838-I842 WeakPolarHBondContact O-CG1 3.41Å; I838-I842 PolarHBondContact O-N 3.46Å |
| 839 | L | 94.9 | Very high | 86 | Confident | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.3 | -39.4 | 178.5 | -72.7 | 170 | 0 | 0 | 0 | 112.7 | L811 F835 T841 I842 R843 I898 E961 L962 L965 | L811-L839 HydrophobicContact CD1-CG 4.27Å; L811-L839 HydrophobicContact CD2-CD2 4.01Å; F835-L839 HydrophobicContact CB-CD1 4.21Å; F835-L839 VanDerWaalsContact O-CB 3.3Å; F835-L839 WeakPolarHBondContact O-CB 3.24Å; F835-L839 WeakPolarHBondContact O-CG 3.45Å; F835-L839 PolarHBondContact O-N 3.06Å; L839-T841 VanDerWaalsContact C-N 3.28Å; L839-T841 PolarHBondContact O-N 2.96Å; L839-I842 PolarHBondContact O-N 3.01Å; L839-R843 WeakPolarHBondContact O-CB 3.43Å; L839-R843 PolarHBondContact O-N 2.99Å; L839-I898 HydrophobicContact CD1-CD1 4.12Å; L839-I898 HydrophobicContact CD2-CD1 4.45Å; L839-E961 HydrophobicContact CB-CB 3.75Å; L839-E961 HydrophobicContact CB-CG 4.45Å; L839-E961 HydrophobicContact CD1-CB 4.49Å; L839-L962 HydrophobicContact CD1-CD1 4.47Å; L839-L962 HydrophobicContact CD1-CD2 3.85Å; L839-L962 HydrophobicContact CD1-CG 3.78Å; L839-L962 HydrophobicContact CD2-CD2 3.66Å; L839-L962 HydrophobicContact CD2-CG 4.48Å; L839-L962 HydrophobicContact CG-CD2 4.41Å; L839-L965 HydrophobicContact CD2-CD2 4.39Å |
| 840 | S | 91.2 | Very high | 83.8 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 5% | 0.049 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 176.7 | 78.2 | 0 | 0 | 0 | 0 | 111.9 | Y836 A837 I838 S844 | Y836-S840 VanDerWaalsContact O-CB 3.24Å; Y836-S840 WeakPolarHBondContact O-CB 3.46Å; Y836-S840 PolarHBondContact O-N 3.41Å; Y836-S840 PolarHBondContact O-OG 3.24Å; A837-S840 PolarHBondContact O-N 2.84Å; A837-S840 PolarHBondContact O-OG 3.49Å; I838-S840 VanDerWaalsContact C-N 3.32Å; I838-S840 PolarHBondContact O-N 3.08Å; S840-S844 WeakPolarHBondContact O-CB 3.48Å; S840-S844 PolarHBondContact O-N 3.39Å |
| 841 | T | 93.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.5 | -49.1 | 177.2 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | A758 A769 L773 L807 A837 I838 L839 R843 S844 V845 | A758-T841 HydrophobicContact CB-CG2 4.07Å; A769-T841 HydrophobicContact CB-CG2 3.84Å; L773-T841 HydrophobicContact CD1-CG2 3.61Å; L807-T841 HydrophobicContact CD1-CG2 3.59Å; L807-T841 HydrophobicContact CD2-CG2 4.29Å; A837-T841 PolarHBondContact O-N 3.06Å; A837-T841 PolarHBondContact O-OG1 3.33Å; I838-T841 WeakPolarHBondContact O-CB 3.11Å; I838-T841 PolarHBondContact O-N 3.48Å; I838-T841 VanDerWaalsContact O-N 3.1Å; L839-T841 VanDerWaalsContact C-N 3.28Å; L839-T841 PolarHBondContact O-N 2.96Å; T841-R843 VanDerWaalsContact C-N 3.32Å; T841-R843 PolarHBondContact O-N 3.47Å; T841-S844 WeakPolarHBondContact O-CB 3.33Å; T841-S844 PolarHBondContact O-N 2.91Å; T841-S844 VanDerWaalsContact O-N 3.09Å; T841-V845 WeakPolarHBondContact O-CG2 3.21Å; T841-V845 PolarHBondContact O-N 3.37Å |
| 842 | I | 92.7 | Very high | 79.5 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.4 | -48.5 | 175 | -67.2 | 169.7 | 0 | 0 | 0 | 110.4 | L807 L808 I838 L839 S844 V845 I846 I891 L965 | L807-I842 HydrophobicContact CB-CD1 3.94Å; L807-I842 HydrophobicContact CB-CG1 3.67Å; L807-I842 HydrophobicContact CD1-CG1 3.83Å; L807-I842 HydrophobicContact CG-CG1 4.39Å; L808-I842 HydrophobicContact CD2-CD1 3.86Å; L808-I842 HydrophobicContact CG-CD1 4.33Å; I838-I842 HydrophobicContact CG2-CD1 4Å; I838-I842 WeakPolarHBondContact O-CG1 3.41Å; I838-I842 PolarHBondContact O-N 3.46Å; L839-I842 PolarHBondContact O-N 3.01Å; I842-S844 VanDerWaalsContact C-N 3.3Å; I842-S844 PolarHBondContact O-N 3.3Å; I842-V845 PolarHBondContact O-N 3.04Å; I842-I846 HydrophobicContact CG2-CD1 3.63Å; I842-I846 HydrophobicContact CG2-CG1 4.47Å; I842-I846 WeakPolarHBondContact O-CG1 3.42Å; I842-I846 PolarHBondContact O-N 3.46Å; I842-I891 HydrophobicContact CG2-CD1 4.41Å; I842-L965 HydrophobicContact CG2-CD1 4.37Å; I842-L965 HydrophobicContact CG2-CD2 4.21Å |
| 843 | R | 90.6 | Very high | 77.3 | Confident | 59 Ų | 59 | 20.6 Ų | 20.6 | 22% | 0.223 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 177.6 | -177.7 | -179.9 | 59 | 68.8 | 1.5 | 112.2 | L839 T841 G847 E961 L964 L965 | L839-R843 WeakPolarHBondContact O-CB 3.43Å; L839-R843 PolarHBondContact O-N 2.99Å; T841-R843 VanDerWaalsContact C-N 3.32Å; T841-R843 PolarHBondContact O-N 3.47Å; R843-G847 WeakPolarHBondContact O-CA 3.38Å; R843-G847 PolarHBondContact O-N 3.08Å; R843-E961 IonicContact CZ-OE2 2.75Å; R843-E961 IonicContact NE-OE2 3.1Å; R843-E961 PolarHBondContact NE-OE2 3.03Å; R843-E961 IonicContact NH2-OE1 3.97Å; R843-E961 IonicContact NH2-OE2 2.7Å; R843-E961 PolarHBondContact NH2-OE2 2.86Å; R843-L964 VanDerWaalsContact CD-CB 3.44Å; R843-L965 HydrophobicContact CB-CD1 4.2Å |
| 844 | S | 87.2 | Confident | 74.9 | Confident | 12 Ų | 12 | 22.2 Ų | 22.2 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 177.8 | -162 | 0 | 0 | 0 | 0 | 111.2 | G770 R774 S840 T841 I842 G847 | G770-S844 WeakPolarHBondContact CA-OG 3.48Å; G770-S844 PolarHBondContact O-OG 3.19Å; R774-S844 WeakPolarHBondContact CD-O 2.98Å; R774-S844 VanDerWaalsContact CZ-OG 3.22Å; R774-S844 PolarHBondContact NE-OG 3.4Å; R774-S844 PolarHBondContact NH2-OG 3.38Å; S840-S844 WeakPolarHBondContact O-CB 3.48Å; S840-S844 PolarHBondContact O-N 3.39Å; T841-S844 WeakPolarHBondContact O-CB 3.33Å; T841-S844 PolarHBondContact O-N 2.91Å; T841-S844 VanDerWaalsContact O-N 3.09Å; I842-S844 VanDerWaalsContact C-N 3.3Å; I842-S844 PolarHBondContact O-N 3.3Å; S844-G847 PolarHBondContact O-N 2.86Å |
| 845 | V | 87 | Confident | 72.5 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 179.3 | 174.7 | 0 | 0 | 0 | 0 | 112.4 | L773 I777 Y778 A800 I804 T841 I842 I873 | L773-V845 HydrophobicContact CB-CG2 3.9Å; L773-V845 HydrophobicContact CD1-CG2 4.05Å; I777-V845 HydrophobicContact CD1-CG1 3.76Å; I777-V845 HydrophobicContact CD1-CG2 4.28Å; Y778-V845 PolarHBondContact OH-O 3.25Å; Y778-V845 VanDerWaalsContact OH-O 3.13Å; A800-V845 HydrophobicContact CB-CG1 4.08Å; I804-V845 HydrophobicContact CD1-CG1 4.09Å; I804-V845 HydrophobicContact CG1-CG1 3.99Å; T841-V845 WeakPolarHBondContact O-CG2 3.21Å; T841-V845 PolarHBondContact O-N 3.37Å; I842-V845 PolarHBondContact O-N 3.04Å; V845-I873 HydrophobicContact CG1-CD1 4.3Å |
| 846 | I | 83.5 | Confident | 69.7 | Low | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -75.7 | -32.8 | -179.7 | -66.2 | 173.1 | 0 | 0 | 0 | 112.5 | I804 I842 I873 L878 I891 L965 Y973 | I804-I846 HydrophobicContact CD1-CD1 4.02Å; I804-I846 HydrophobicContact CD1-CG1 3.54Å; I804-I846 HydrophobicContact CG1-CG1 4.29Å; I842-I846 HydrophobicContact CG2-CD1 3.63Å; I842-I846 HydrophobicContact CG2-CG1 4.47Å; I842-I846 WeakPolarHBondContact O-CG1 3.42Å; I842-I846 PolarHBondContact O-N 3.46Å; I846-I873 HydrophobicContact CG1-CD1 4.35Å; I846-L878 HydrophobicContact CG1-CD2 4.47Å; I846-L878 HydrophobicContact CG2-CD1 4.39Å; I846-I891 HydrophobicContact CD1-CD1 3.54Å; I846-L965 HydrophobicContact CD1-CD1 3.99Å; I846-Y973 HydrophobicContact CG2-CD2 4.34Å; I846-Y973 HydrophobicContact CG2-CE2 3.7Å; I846-Y973 PolarHBondContact O-OH 3.08Å |
| 847 | G | 71 | Confident | 66.9 | Low | 16 Ų | 16 | 35.5 Ų | 35.5 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -57.5 | 140.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | R843 S844 A849 | R843-G847 WeakPolarHBondContact O-CA 3.38Å; R843-G847 PolarHBondContact O-N 3.08Å; S844-G847 PolarHBondContact O-N 2.86Å; G847-A849 PolarHBondContact O-N 3.49Å |
| 848 | V | 56.9 | Low | 64.1 | Low | 83 Ų | 83 | 45 Ų | 45 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | trans | -71.4 | 100.6 | 179.6 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | S850 | V848-S850 VanDerWaalsContact C-N 3.35Å; V848-S850 PolarHBondContact O-N 2.98Å | ||
| 849 | A | 45.3 | Very low | 61 | Low | 13 Ų | 13 | 52.3 Ų | 52.3 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -77.1 | 92.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | G847 L851 A871 | G847-A849 PolarHBondContact O-N 3.49Å; A849-L851 PolarHBondContact O-N 3.22Å; A849-A871 HydrophobicContact CB-CB 4.09Å; A849-A871 PolarHBondContact N-O 3.32Å |
| 850 | S | 44.1 | Very low | 57.8 | Low | 63 Ų | 63 | 58.1 Ų | 58.1 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | trans | -66.7 | 101.7 | 167.5 | -167.6 | 0 | 0 | 0 | 0 | 108.3 | V848 S852 | V848-S850 VanDerWaalsContact C-N 3.35Å; V848-S850 PolarHBondContact O-N 2.98Å; S850-S852 PolarHBondContact O-N 3.45Å; S850-S852 WeakPolarHBondContact OG-CB 3.26Å; S850-S852 PolarHBondContact OG-N 3.24Å; S850-S852 PolarHBondContact OG-OG 2.99Å | ||
| 851 | L | 44.3 | Very low | 54.9 | Low | 29 Ų | 29 | 65.8 Ų | 65.8 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | trans | -64.8 | 4.5 | 164.6 | -81.5 | 159.9 | 0 | 0 | 0 | 112.2 | R734 A849 S853 S869 A871 | R734-L851 PolarHBondContact NH2-O 3.3Å; A849-L851 PolarHBondContact O-N 3.22Å; L851-S853 PolarHBondContact O-N 2.79Å; L851-S869 WeakPolarHBondContact CD1-O 3.46Å; L851-A871 HydrophobicContact CD1-CB 3.85Å; L851-A871 HydrophobicContact CG-CB 4.48Å | ||
| 852 | S | 39.4 | Very low | 52 | Low | 65 Ų | 65 | 72.3 Ų | 72.3 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | trans | -54.4 | 111.8 | 176.2 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | S850 | S850-S852 PolarHBondContact O-N 3.45Å; S850-S852 WeakPolarHBondContact OG-CB 3.26Å; S850-S852 PolarHBondContact OG-N 3.24Å; S850-S852 PolarHBondContact OG-OG 2.99Å | ||
| 853 | S | 40.6 | Very low | 49 | Very low | 17 Ų | 17 | 77.6 Ų | 77.6 | 12% | 0.119 | 42% | 0.419 | C | S | . | . | trans | -57.6 | 134.3 | 174.4 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | E659 L851 L855 S856 | E659-S853 VanDerWaalsContact OE2-CB 3.32Å; E659-S853 WeakPolarHBondContact OE2-CB 3.35Å; E659-S853 PolarHBondContact OE2-OG 3.1Å; L851-S853 PolarHBondContact O-N 2.79Å; S853-L855 PolarHBondContact O-N 2.91Å; S853-L855 WeakPolarHBondContact OG-CB 3.49Å; S853-L855 PolarHBondContact OG-N 3.02Å; S853-L855 VanDerWaalsContact OG-N 3.13Å; S853-S856 PolarHBondContact O-N 2.99Å; S853-S856 PolarHBondContact O-OG 3.3Å | ||
| 854 | P | 40.9 | Very low | 45.9 | Very low | 88 Ų | 88 | 79.9 Ų | 79.9 | 57% | 0.571 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -59.5 | -22.1 | 166.5 | -8 | 15.8 | 0 | 0 | 0 | 112.3 | ||
| 855 | L | 42.2 | Very low | 43 | Very low | 49 Ų | 49 | 86 Ų | 86 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -75 | -27.2 | 179.3 | -78.1 | 151.3 | 0 | 0 | 0 | 113.4 | E659 S853 K857 | E659-L855 HydrophobicContact CB-CD1 4.25Å; S853-L855 PolarHBondContact O-N 2.91Å; S853-L855 WeakPolarHBondContact OG-CB 3.49Å; S853-L855 PolarHBondContact OG-N 3.02Å; S853-L855 VanDerWaalsContact OG-N 3.13Å; L855-K857 VanDerWaalsContact C-N 3.32Å; L855-K857 PolarHBondContact O-N 2.88Å |
| 856 | S | 37 | Very low | 40.1 | Very low | 56 Ų | 56 | 92.9 Ų | 92.9 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -80.2 | -7.8 | -173.4 | 69.9 | 0 | 0 | 0 | 0 | 114.6 | S853 K858 | S853-S856 PolarHBondContact O-N 2.99Å; S853-S856 PolarHBondContact O-OG 3.3Å; S856-K858 VanDerWaalsContact C-N 3.28Å; S856-K858 PolarHBondContact O-N 3.4Å |
| 857 | K | 35.5 | Very low | 37.4 | Very low | 183 Ų | 183 | 99.5 Ų | 99.5 | 80% | 0.796 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -69.6 | -13.8 | -175.1 | -82.2 | -170.1 | 177.2 | -177.8 | 0 | 115.4 | L855 | L855-K857 VanDerWaalsContact C-N 3.32Å; L855-K857 PolarHBondContact O-N 2.88Å |
| 858 | K | 32.9 | Very low | 35.6 | Very low | 199 Ų | 199 | 103.6 Ų | 103.6 | 87% | 0.865 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -93.8 | -17.4 | -178.8 | -83.2 | -171.2 | 175.1 | -178 | 0 | 115.8 | S856 | S856-K858 VanDerWaalsContact C-N 3.28Å; S856-K858 PolarHBondContact O-N 3.4Å |
| 859 | N | 30.6 | Very low | 34.8 | Very low | 154 Ų | 154 | 102.4 Ų | 102.4 | 82% | 0.824 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 3.9 | -167.3 | -77.6 | 0.3 | 0 | 0 | 0 | 116.9 | ||
| 860 | K | 27.7 | Very low | 34.8 | Very low | 127 Ų | 127 | 104.6 Ų | 104.6 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | trans | -99.8 | 114.5 | 177.8 | -76.5 | -166.7 | 170.8 | -167 | 0 | 112.5 | ||||
| 861 | K | 30.6 | Very low | 35.3 | Very low | 168 Ų | 168 | 101.7 Ų | 101.7 | 73% | 0.73 | 56% | 0.561 | S | S | * | * | trans | -62.3 | 147.2 | 153.3 | -79.6 | 179.7 | 176.4 | 178.2 | 0 | 108.5 | T863 | K861-T863 PolarHBondContact O-N 2.65Š| ||
| 862 | P | 31.4 | Very low | 36.4 | Very low | 137 Ų | 137 | 101.4 Ų | 101.4 | 89% | 0.89 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 4.4 | -169.2 | -16.4 | 30.5 | 0 | 0 | 0 | 116.5 | ||
| 863 | T | 29.7 | Very low | 37.9 | Very low | 111 Ų | 111 | 98.4 Ų | 98.4 | 68% | 0.681 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -3.6 | -168.1 | 48.7 | 0 | 0 | 0 | 0 | 115.7 | K861 T865 | K861-T863 PolarHBondContact O-N 2.65Å; T863-T865 PolarHBondContact O-N 3.49Å |
| 864 | D | 25.6 | Very low | 39.4 | Very low | 107 Ų | 107 | 104 Ų | 104 | 57% | 0.572 | 56% | 0.563 | S | S | * | * | trans | -93.3 | 92.2 | 176.9 | -64.7 | -20.8 | 0 | 0 | 0 | 110.4 | Q866 | D864-Q866 PolarHBondContact O-N 2.9Š| ||
| 865 | T | 26.3 | Very low | 40.7 | Very low | 141 Ų | 141 | 100.4 Ų | 100.4 | 87% | 0.865 | 54% | 0.541 | S | S | * | . | trans | -67.1 | 39.5 | 169.8 | 38.3 | 0 | 0 | 0 | 0 | 112.9 | T863 T867 | T863-T865 PolarHBondContact O-N 3.49Å; T865-T867 PolarHBondContact O-N 3.33Å | ||
| 866 | Q | 25.6 | Very low | 42 | Very low | 145 Ų | 145 | 103.8 Ų | 103.8 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | trans | -65.8 | 120 | 164.6 | -79.7 | -173.2 | -13.7 | 0 | 0 | 108.4 | D864 S868 | D864-Q866 PolarHBondContact O-N 2.9Å; Q866-S868 VanDerWaalsContact C-N 3.31Å; Q866-S868 PolarHBondContact O-N 3.45Å | ||
| 867 | T | 28.6 | Very low | 43.7 | Very low | 139 Ų | 139 | 101.5 Ų | 101.5 | 85% | 0.853 | 54% | 0.539 | S | S | * | . | trans | -38 | 88.7 | 168.5 | 45.6 | 0 | 0 | 0 | 0 | 111.1 | T865 S869 | T865-T867 PolarHBondContact O-N 3.33Å; T867-S869 PolarHBondContact O-N 3.17Å; T867-S869 VanDerWaalsContact O-N 3.07Å | ||
| 868 | S | 31.8 | Very low | 45.5 | Very low | 101 Ų | 101 | 92.8 Ų | 92.8 | 71% | 0.706 | 50% | 0.502 | S | S | * | . | trans | -63.5 | 110.4 | 161.9 | 50.4 | 0 | 0 | 0 | 0 | 105.6 | Q866 S870 | Q866-S868 VanDerWaalsContact C-N 3.31Å; Q866-S868 PolarHBondContact O-N 3.45Å; S868-S870 PolarHBondContact O-N 3.49Å | ||
| 869 | S | 41.7 | Very low | 47.3 | Very low | 58 Ų | 58 | 85.2 Ų | 85.2 | 41% | 0.406 | 47% | 0.473 | S | S | . | . | trans | -54.9 | 86.9 | 170.7 | 57 | 0 | 0 | 0 | 0 | 108.6 | L851 T867 A871 | L851-S869 WeakPolarHBondContact CD1-O 3.46Å; T867-S869 PolarHBondContact O-N 3.17Å; T867-S869 VanDerWaalsContact O-N 3.07Å; S869-A871 PolarHBondContact O-N 3.23Å | ||
| 870 | S | 45.2 | Very low | 49.1 | Very low | 60 Ų | 60 | 83.3 Ų | 83.3 | 42% | 0.42 | 46% | 0.457 | S | S | . | . | trans | -81.2 | 107.8 | 175.9 | 53.2 | 0 | 0 | 0 | 0 | 106.2 | S868 S872 | S868-S870 PolarHBondContact O-N 3.49Å; S870-S872 WeakPolarHBondContact CB-OG 3.5Å; S870-S872 PolarHBondContact O-N 2.66Å; S870-S872 PolarHBondContact OG-OG 2.84Å | ||
| 871 | A | 54.7 | Low | 50.7 | Low | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.008 | 46% | 0.461 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 73.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y778 A849 L851 S869 | Y778-A871 HydrophobicContact CD1-CB 3.8Å; Y778-A871 HydrophobicContact CD2-CB 4.27Å; Y778-A871 VanDerWaalsContact CE1-C 3.44Å; Y778-A871 HydrophobicContact CE1-CB 4.31Å; Y778-A871 HydrophobicContact CG-CB 3.78Å; A849-A871 HydrophobicContact CB-CB 4.09Å; A849-A871 PolarHBondContact N-O 3.32Å; L851-A871 HydrophobicContact CD1-CB 3.85Å; L851-A871 HydrophobicContact CG-CB 4.48Å; S869-A871 PolarHBondContact O-N 3.23Å |
| 872 | S | 66 | Low | 52.3 | Low | 24 Ų | 24 | 77.8 Ų | 77.8 | 17% | 0.168 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -151 | 133.9 | -179.6 | 62.4 | 0 | 0 | 0 | 0 | 109.2 | S870 | S870-S872 WeakPolarHBondContact CB-OG 3.5Å; S870-S872 PolarHBondContact O-N 2.66Å; S870-S872 PolarHBondContact OG-OG 2.84Å |
| 873 | I | 71.1 | Confident | 53.5 | Low | 1 Ų | 1 | 78.9 Ų | 78.9 | 1% | 0.005 | 44% | 0.435 | C | S | . | . | trans | -53.5 | 137.1 | 175 | -47.8 | 176.6 | 0 | 0 | 0 | 109.7 | Y778 D797 A800 I804 V845 I846 A875 L878 Y973 | Y778-I873 WeakPolarHBondContact OH-CG1 3.49Å; Y778-I873 PolarHBondContact OH-N 2.84Å; D797-I873 HydrophobicContact CB-CG2 4.45Å; D797-I873 WeakPolarHBondContact OD1-CA 3.37Å; D797-I873 WeakPolarHBondContact OD1-CG2 3.33Å; A800-I873 HydrophobicContact CB-CD1 3.49Å; A800-I873 VanDerWaalsContact CB-CD1 3.49Å; A800-I873 HydrophobicContact CB-CG1 3.72Å; I804-I873 HydrophobicContact CD1-CD1 3.73Å; V845-I873 HydrophobicContact CG1-CD1 4.3Å; I846-I873 HydrophobicContact CG1-CD1 4.35Å; I873-A875 PolarHBondContact O-N 3.28Å; I873-L878 HydrophobicContact CB-CD1 4.34Å; I873-L878 HydrophobicContact CB-CG 4.31Å; I873-L878 HydrophobicContact CD1-CD2 4.1Å; I873-L878 HydrophobicContact CG2-CD1 4.39Å; I873-L878 HydrophobicContact CG2-CD2 4.3Å; I873-L878 HydrophobicContact CG2-CG 3.84Å; I873-Y973 WeakPolarHBondContact O-CE1 3.36Å | ||
| 874 | K | 72.7 | Confident | 55.1 | Low | 135 Ų | 135 | 76 Ų | 76 | 59% | 0.587 | 43% | 0.428 | S | S | * | . | trans | -63.9 | 138.4 | 173.2 | -64 | 178.8 | -178.3 | 173.8 | 0 | 110.1 | D797 E876 S877 L878 | D797-K874 PolarHBondContact OD1-N 2.94Å; D797-K874 WeakPolarHBondContact OD2-CB 3.5Å; D797-K874 WeakPolarHBondContact OD2-CD 3.43Å; D797-K874 WeakPolarHBondContact OD2-CG 3.32Å; K874-E876 PolarHBondContact O-N 3.34Å; K874-S877 WeakPolarHBondContact O-CB 3.3Å; K874-S877 PolarHBondContact O-N 2.83Å; K874-L878 PolarHBondContact O-N 3.33Å | ||
| 875 | A | 68.4 | Low | 57 | Low | 13 Ų | 13 | 73.9 Ų | 73.9 | 11% | 0.107 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -54.1 | -39.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I873 S877 L878 C879 Y973 | I873-A875 PolarHBondContact O-N 3.28Å; A875-S877 VanDerWaalsContact C-N 3.29Å; A875-S877 PolarHBondContact O-N 2.78Å; A875-L878 PolarHBondContact O-N 3.46Å; A875-C879 PolarHBondContact O-N 3.32Å; A875-C879 PolarHBondContact O-SG 2.89Å; A875-Y973 HydrophobicContact CB-CD1 3.86Å |
| 876 | E | 69.9 | Low | 59.6 | Low | 120 Ų | 120 | 67.8 Ų | 67.8 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 179.9 | -27.2 | -167.2 | 126.7 | 0 | 0 | 112 | K874 C879 K880 N981 | K874-E876 PolarHBondContact O-N 3.34Å; E876-C879 CarbonylContact O-C 3.59Å; E876-C879 PolarHBondContact O-N 3.49Å; E876-C879 VanDerWaalsContact O-N 3.15Å; E876-K880 PolarHBondContact O-N 3.18Å; E876-N981 VanDerWaalsContact CG-ND2 3.34Å; E876-N981 WeakPolarHBondContact CG-ND2 3.38Å; E876-N981 PolarHBondContact OE1-ND2 3.35Å |
| 877 | S | 72.8 | Confident | 62.4 | Low | 8 Ų | 8 | 61.1 Ų | 61.1 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.3 | -40.1 | -179.1 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | D797 I801 K874 A875 C879 K880 | D797-S877 WeakPolarHBondContact CB-OG 3.18Å; D797-S877 VanDerWaalsContact CG-OG 3.24Å; D797-S877 WeakPolarHBondContact OD2-CB 3.43Å; D797-S877 PolarHBondContact OD2-OG 2.92Å; I801-S877 VanDerWaalsContact CD1-O 3.25Å; I801-S877 WeakPolarHBondContact CD1-O 3.32Å; K874-S877 WeakPolarHBondContact O-CB 3.3Å; K874-S877 PolarHBondContact O-N 2.83Å; A875-S877 VanDerWaalsContact C-N 3.29Å; A875-S877 PolarHBondContact O-N 2.78Å; S877-C879 PolarHBondContact O-N 3.08Å; S877-K880 WeakPolarHBondContact O-CB 3.27Å; S877-K880 PolarHBondContact O-N 3.15Å |
| 878 | L | 73.3 | Confident | 65.1 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -27.5 | 171.5 | -74 | 169.2 | 0 | 0 | 0 | 112.4 | I804 I846 I873 K874 A875 N886 V887 I888 Y973 | I804-L878 HydrophobicContact CD1-CD2 4.08Å; I846-L878 HydrophobicContact CG1-CD2 4.47Å; I846-L878 HydrophobicContact CG2-CD1 4.39Å; I873-L878 HydrophobicContact CB-CD1 4.34Å; I873-L878 HydrophobicContact CB-CG 4.31Å; I873-L878 HydrophobicContact CD1-CD2 4.1Å; I873-L878 HydrophobicContact CG2-CD1 4.39Å; I873-L878 HydrophobicContact CG2-CD2 4.3Å; I873-L878 HydrophobicContact CG2-CG 3.84Å; K874-L878 PolarHBondContact O-N 3.33Å; A875-L878 PolarHBondContact O-N 3.46Å; L878-N886 PolarHBondContact O-OD1 3.32Å; L878-V887 HydrophobicContact CD2-CG1 4.43Å; L878-V887 WeakPolarHBondContact O-CB 3.13Å; L878-I888 HydrophobicContact CB-CD1 4.21Å; L878-I888 HydrophobicContact CB-CG1 4.22Å; L878-Y973 HydrophobicContact CD1-CD1 4.2Å; L878-Y973 HydrophobicContact CD1-CD2 3.85Å; L878-Y973 HydrophobicContact CD1-CE1 4.2Å; L878-Y973 HydrophobicContact CD1-CE2 3.85Å; L878-Y973 HydrophobicContact CD1-CG 4.03Å |
| 879 | C | 69 | Low | 67.8 | Low | 39 Ų | 39 | 53.9 Ų | 53.9 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.1 | 177.7 | -68.9 | 0 | 0 | 0 | 0 | 114.4 | A875 E876 S877 N886 | A875-C879 PolarHBondContact O-N 3.32Å; A875-C879 PolarHBondContact O-SG 2.89Å; E876-C879 CarbonylContact O-C 3.59Å; E876-C879 PolarHBondContact O-N 3.49Å; E876-C879 VanDerWaalsContact O-N 3.15Å; S877-C879 PolarHBondContact O-N 3.08Å; C879-N886 WeakPolarHBondContact CA-ND2 3.48Å; C879-N886 PolarHBondContact O-ND2 3.32Å |
| 880 | K | 68.6 | Low | 70.2 | Confident | 114 Ų | 114 | 53 Ų | 53 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -64.8 | 140.9 | 176.9 | -72.8 | -178.5 | 179.3 | 177.4 | 0 | 110.6 | E876 S877 | E876-K880 PolarHBondContact O-N 3.18Å; S877-K880 WeakPolarHBondContact O-CB 3.27Å; S877-K880 PolarHBondContact O-N 3.15Å |
| 881 | Q | 60.7 | Low | 72.4 | Confident | 135 Ų | 135 | 50.4 Ų | 50.4 | 63% | 0.631 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 129.5 | 173.7 | -74.4 | -174.5 | -23.1 | 0 | 0 | 110.4 | G884 | Q881-G884 PolarHBondContact NE2-O 2.81Å |
| 882 | I | 64.4 | Low | 74.2 | Confident | 45 Ų | 45 | 50.6 Ų | 50.6 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122 | 168.3 | -55.2 | 168.4 | 0 | 0 | 0 | 105.4 | I801 G884 V885 V887 | I801-I882 HydrophobicContact CG2-CD1 3.16Å; I801-I882 HydrophobicContact CG2-CG1 4.3Å; I882-G884 PolarHBondContact O-N 2.93Å; I882-G884 VanDerWaalsContact O-N 3.15Å; I882-V885 PolarHBondContact N-O 3.14Å; I882-V885 PolarHBondContact O-N 2.99Å; I882-V885 VanDerWaalsContact O-N 3.12Å; I882-V885 VanDerWaalsContact O-O 3.12Å; I882-V887 HydrophobicContact CD1-CG2 3.66Å; I882-V887 HydrophobicContact CG1-CG2 4.42Å |
| 883 | N | 57.4 | Low | 75.5 | Confident | 159 Ų | 159 | 52.3 Ų | 52.3 | 85% | 0.85 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 34 | -175.4 | -57.7 | -24.5 | 0 | 0 | 0 | 113.7 | V885 | N883-V885 VanDerWaalsContact C-N 3.33Å; N883-V885 PolarHBondContact O-N 3.22Å |
| 884 | G | 62.9 | Low | 76.7 | Confident | 50 Ų | 50 | 52.5 Ų | 52.5 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -4.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q881 I882 | Q881-G884 PolarHBondContact NE2-O 2.81Å; I882-G884 PolarHBondContact O-N 2.93Å; I882-G884 VanDerWaalsContact O-N 3.15Å |
| 885 | V | 66.7 | Low | 77.8 | Confident | 64 Ų | 64 | 46.1 Ų | 46.1 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.5 | 178 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | I882 N883 R890 | I882-V885 PolarHBondContact N-O 3.14Å; I882-V885 PolarHBondContact O-N 2.99Å; I882-V885 VanDerWaalsContact O-N 3.12Å; I882-V885 VanDerWaalsContact O-O 3.12Å; N883-V885 VanDerWaalsContact C-N 3.33Å; N883-V885 PolarHBondContact O-N 3.22Å; V885-R890 HydrophobicContact CG1-CB 4.1Å |
| 886 | N | 79.9 | Confident | 79 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 139.3 | 175.1 | 175.3 | -52.1 | 0 | 0 | 0 | 110.2 | L878 C879 I888 E889 R890 | L878-N886 PolarHBondContact O-OD1 3.32Å; C879-N886 WeakPolarHBondContact CA-ND2 3.48Å; C879-N886 PolarHBondContact O-ND2 3.32Å; N886-I888 VanDerWaalsContact C-N 3.31Å; N886-I888 PolarHBondContact O-N 3.42Å; N886-I888 WeakPolarHBondContact OD1-CA 3.44Å; N886-I888 VanDerWaalsContact OD1-CB 3.24Å; N886-I888 WeakPolarHBondContact OD1-CB 3.23Å; N886-I888 PolarHBondContact OD1-N 2.72Å; N886-E889 HydrophobicContact CB-CB 4.03Å; N886-E889 WeakPolarHBondContact O-CB 3.41Å; N886-E889 PolarHBondContact O-N 3.5Å; N886-E889 PolarHBondContact OD1-N 3.27Å; N886-R890 WeakPolarHBondContact O-CB 3.29Å; N886-R890 PolarHBondContact O-N 3.28Å |
| 887 | V | 84.6 | Confident | 80.3 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | -176.9 | 179.6 | 0 | 0 | 0 | 0 | 112 | I804 L808 L878 I882 R890 I891 | I804-V887 HydrophobicContact CG2-CG1 3.59Å; L808-V887 HydrophobicContact CD1-CG1 4.14Å; L878-V887 HydrophobicContact CD2-CG1 4.43Å; L878-V887 WeakPolarHBondContact O-CB 3.13Å; I882-V887 HydrophobicContact CD1-CG2 3.66Å; I882-V887 HydrophobicContact CG1-CG2 4.42Å; V887-R890 PolarHBondContact O-N 3.4Å; V887-I891 HydrophobicContact CG1-CD1 3.98Å; V887-I891 VanDerWaalsContact O-CG1 3.29Å; V887-I891 WeakPolarHBondContact O-CG1 3.4Å; V887-I891 PolarHBondContact O-N 2.92Å |
| 888 | I | 86.1 | Confident | 81.3 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -48.8 | 176.8 | -61.8 | 179 | 0 | 0 | 0 | 110.4 | L878 N886 R890 I891 I892 L970 M983 | L878-I888 HydrophobicContact CB-CD1 4.21Å; L878-I888 HydrophobicContact CB-CG1 4.22Å; N886-I888 VanDerWaalsContact C-N 3.31Å; N886-I888 PolarHBondContact O-N 3.42Å; N886-I888 WeakPolarHBondContact OD1-CA 3.44Å; N886-I888 VanDerWaalsContact OD1-CB 3.24Å; N886-I888 WeakPolarHBondContact OD1-CB 3.23Å; N886-I888 PolarHBondContact OD1-N 2.72Å; I888-R890 VanDerWaalsContact C-N 3.25Å; I888-R890 PolarHBondContact O-N 2.73Å; I888-I891 PolarHBondContact O-N 3.5Å; I888-I892 HydrophobicContact CG2-CD1 3.76Å; I888-I892 HydrophobicContact CG2-CG1 4.48Å; I888-I892 WeakPolarHBondContact O-CG1 3.28Å; I888-I892 PolarHBondContact O-N 3.17Å; I888-L970 HydrophobicContact CG1-CD2 4.32Å; I888-L970 HydrophobicContact CG2-CD1 4.42Å; I888-L970 HydrophobicContact CG2-CD2 4.32Å; I888-M983 HydrophobicContact CG2-CE 3.3Å |
| 889 | E | 88 | Confident | 82.2 | Confident | 84 Ų | 84 | 44.1 Ų | 44.1 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.3 | -41.7 | 177 | -175.6 | 173.7 | -173.6 | 0 | 0 | 111 | N886 I892 S893 | N886-E889 HydrophobicContact CB-CB 4.03Å; N886-E889 WeakPolarHBondContact O-CB 3.41Å; N886-E889 PolarHBondContact O-N 3.5Å; N886-E889 PolarHBondContact OD1-N 3.27Å; E889-I892 PolarHBondContact O-N 3.18Å; E889-S893 VanDerWaalsContact O-CB 3.24Å; E889-S893 WeakPolarHBondContact O-CB 3.41Å; E889-S893 PolarHBondContact O-N 3Å |
| 890 | R | 91 | Very high | 83.3 | Confident | 40 Ų | 40 | 45.3 Ų | 45.3 | 15% | 0.151 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.2 | -45.1 | 177.2 | -163.1 | 172.9 | -179.2 | -159 | -2 | 112.4 | D805 L808 N809 V885 N886 V887 I888 I892 S893 L894 | D805-R890 IonicContact OD1-NH1 2.91Å; D805-R890 PolarHBondContact OD1-NH1 3.38Å; L808-R890 HydrophobicContact CD1-CB 4.34Å; L808-R890 HydrophobicContact CD1-CG 4.2Å; N809-R890 PolarHBondContact OD1-NH1 3.49Å; N809-R890 VanDerWaalsContact OD1-NH1 3.09Å; N809-R890 PolarHBondContact OD1-NH2 3.44Å; V885-R890 HydrophobicContact CG1-CB 4.1Å; N886-R890 WeakPolarHBondContact O-CB 3.29Å; N886-R890 PolarHBondContact O-N 3.28Å; V887-R890 PolarHBondContact O-N 3.4Å; I888-R890 VanDerWaalsContact C-N 3.25Å; I888-R890 PolarHBondContact O-N 2.73Å; R890-I892 PolarHBondContact O-N 3.47Å; R890-S893 PolarHBondContact O-N 3.47Å; R890-L894 HydrophobicContact CG-CD1 4.17Å; R890-L894 WeakPolarHBondContact O-CB 3.44Å; R890-L894 WeakPolarHBondContact O-CG 3.47Å; R890-L894 PolarHBondContact O-N 3.33Å |
| 891 | I | 92.1 | Very high | 84.4 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.1 | -47.4 | 175.8 | -71.5 | 164.1 | 0 | 0 | 0 | 110.7 | L808 I842 I846 V887 I888 G895 L965 L970 | L808-I891 HydrophobicContact CD1-CG1 4.1Å; L808-I891 HydrophobicContact CD2-CG1 3.84Å; I842-I891 HydrophobicContact CG2-CD1 4.41Å; I846-I891 HydrophobicContact CD1-CD1 3.54Å; V887-I891 HydrophobicContact CG1-CD1 3.98Å; V887-I891 VanDerWaalsContact O-CG1 3.29Å; V887-I891 WeakPolarHBondContact O-CG1 3.4Å; V887-I891 PolarHBondContact O-N 2.92Å; I888-I891 PolarHBondContact O-N 3.5Å; I891-G895 PolarHBondContact O-N 2.94Å; I891-L965 HydrophobicContact CG2-CD2 3.5Å; I891-L965 HydrophobicContact CG2-CG 4.06Å; I891-L970 HydrophobicContact CD1-CD2 4.44Å; I891-L970 HydrophobicContact CG2-CD1 4.03Å |
| 892 | I | 93 | Very high | 85.9 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -46.2 | -178.4 | -68.3 | 169.7 | 0 | 0 | 0 | 110.6 | I888 E889 R890 G895 L896 L970 M983 E987 I991 | I888-I892 HydrophobicContact CG2-CD1 3.76Å; I888-I892 HydrophobicContact CG2-CG1 4.48Å; I888-I892 WeakPolarHBondContact O-CG1 3.28Å; I888-I892 PolarHBondContact O-N 3.17Å; E889-I892 PolarHBondContact O-N 3.18Å; R890-I892 PolarHBondContact O-N 3.47Å; I892-G895 PolarHBondContact O-N 3.43Å; I892-L896 PolarHBondContact O-N 2.98Å; I892-L970 HydrophobicContact CD1-CD1 4.26Å; I892-L970 HydrophobicContact CG1-CD1 3.81Å; I892-M983 HydrophobicContact CD1-CE 3.8Å; I892-E987 HydrophobicContact CD1-CB 3.7Å; I892-E987 HydrophobicContact CD1-CG 4.14Å; I892-I991 HydrophobicContact CD1-CD1 3.85Å; I892-I991 HydrophobicContact CD1-CG1 4.02Å; I892-I991 HydrophobicContact CG1-CD1 4.33Å; I892-I991 HydrophobicContact CG1-CG1 4.17Å |
| 893 | S | 93.7 | Very high | 87 | Confident | 61 Ų | 61 | 33.3 Ų | 33.3 | 43% | 0.427 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.2 | -50.7 | 178.6 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | E889 R890 G895 L896 R897 | E889-S893 VanDerWaalsContact O-CB 3.24Å; E889-S893 WeakPolarHBondContact O-CB 3.41Å; E889-S893 PolarHBondContact O-N 3Å; R890-S893 PolarHBondContact O-N 3.47Å; S893-G895 PolarHBondContact O-N 2.99Å; S893-L896 PolarHBondContact O-N 3.15Å; S893-R897 WeakPolarHBondContact O-CG 3.42Å; S893-R897 PolarHBondContact O-N 2.72Å |
| 894 | L | 95.7 | Very high | 88.3 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.5 | -38.4 | 177.7 | -64.2 | 175.2 | 0 | 0 | 0 | 111.8 | L808 L811 Q812 I815 R890 L896 R897 I898 | L808-L894 HydrophobicContact CB-CD1 4.27Å; L808-L894 HydrophobicContact CD2-CD1 3.88Å; L811-L894 HydrophobicContact CD2-CB 4.01Å; L811-L894 HydrophobicContact CD2-CD1 4.2Å; Q812-L894 HydrophobicContact CB-CD1 4.46Å; Q812-L894 HydrophobicContact CB-CD2 4.17Å; Q812-L894 HydrophobicContact CG-CD2 4.34Å; I815-L894 HydrophobicContact CD1-CB 3.84Å; I815-L894 HydrophobicContact CD1-CD2 3.66Å; I815-L894 HydrophobicContact CD1-CG 4.26Å; R890-L894 HydrophobicContact CG-CD1 4.17Å; R890-L894 WeakPolarHBondContact O-CB 3.44Å; R890-L894 WeakPolarHBondContact O-CG 3.47Å; R890-L894 PolarHBondContact O-N 3.33Å; L894-L896 PolarHBondContact O-N 2.87Å; L894-R897 PolarHBondContact O-N 3.44Å; L894-I898 WeakPolarHBondContact O-CG1 3.28Å; L894-I898 PolarHBondContact O-N 2.97Å |
| 895 | G | 95.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I891 I892 S893 I898 S899 L962 | I891-G895 PolarHBondContact O-N 2.94Å; I892-G895 PolarHBondContact O-N 3.43Å; S893-G895 PolarHBondContact O-N 2.99Å; G895-I898 PolarHBondContact O-N 3.2Å; G895-S899 WeakPolarHBondContact O-CB 3.26Å; G895-S899 PolarHBondContact O-N 3Å; G895-L962 WeakPolarHBondContact O-CD1 3.39Å |
| 896 | L | 94.3 | Very high | 90.3 | Very high | 29 Ų | 29 | 24.3 Ų | 24.3 | 15% | 0.152 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 173.8 | -79.9 | 179.2 | 0 | 0 | 0 | 112.3 | I892 S893 L894 S899 E900 R993 F994 | I892-L896 PolarHBondContact O-N 2.98Å; S893-L896 PolarHBondContact O-N 3.15Å; L894-L896 PolarHBondContact O-N 2.87Å; L896-S899 WeakPolarHBondContact O-CB 3.26Å; L896-S899 PolarHBondContact O-N 3.4Å; L896-E900 WeakPolarHBondContact O-CG 3.02Å; L896-E900 PolarHBondContact O-N 3.13Å; L896-R993 HydrophobicContact CD2-CG 4.17Å; L896-F994 HydrophobicContact CD2-CB 3.9Å |
| 897 | R | 96.1 | Very high | 90.4 | Very high | 70 Ų | 70 | 24.1 Ų | 24.1 | 26% | 0.264 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.9 | -68.9 | 166.1 | 67.2 | -165.6 | 3.1 | 111.5 | I815 E819 S893 L894 S899 E900 I901 | I815-R897 HydrophobicContact CG2-CB 4.11Å; I815-R897 VanDerWaalsContact CG2-CZ 3.46Å; I815-R897 VanDerWaalsContact CG2-NH2 3.3Å; E819-R897 IonicContact OE1-CZ 2.75Å; E819-R897 VanDerWaalsContact OE1-CZ 3.31Å; E819-R897 IonicContact OE1-NE 3.59Å; E819-R897 PolarHBondContact OE1-NE 3.34Å; E819-R897 IonicContact OE1-NH2 3.15Å; E819-R897 PolarHBondContact OE1-NH2 3Å; E819-R897 VanDerWaalsContact OE1-NH2 3.09Å; E819-R897 IonicContact OE2-CZ 2.71Å; E819-R897 IonicContact OE2-NE 2.84Å; E819-R897 IonicContact OE2-NH2 2.89Å; E819-R897 PolarHBondContact OE2-NH2 3.4Å; S893-R897 WeakPolarHBondContact O-CG 3.42Å; S893-R897 PolarHBondContact O-N 2.72Å; L894-R897 PolarHBondContact O-N 3.44Å; R897-S899 VanDerWaalsContact C-N 3.33Å; R897-S899 PolarHBondContact O-N 3.16Å; R897-E900 PolarHBondContact O-N 3.05Å; R897-I901 VanDerWaalsContact O-CG1 3.32Å; R897-I901 WeakPolarHBondContact O-CG1 3.2Å; R897-I901 PolarHBondContact O-N 3.3Å |
| 898 | I | 95.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 174.3 | -67.8 | 166.9 | 0 | 0 | 0 | 110.9 | L811 I815 F835 L839 L894 G895 E900 I901 V902 L962 | L811-I898 HydrophobicContact CD1-CD1 3.77Å; L811-I898 HydrophobicContact CD2-CD1 3.69Å; L811-I898 HydrophobicContact CG-CD1 3.83Å; I815-I898 HydrophobicContact CD1-CD1 3.95Å; I815-I898 HydrophobicContact CD1-CG1 3.72Å; I815-I898 HydrophobicContact CG1-CD1 4.31Å; I815-I898 HydrophobicContact CG1-CG1 3.76Å; F835-I898 HydrophobicContact CB-CD1 4.24Å; F835-I898 HydrophobicContact CB-CG2 4.3Å; F835-I898 HydrophobicContact CD1-CD1 4.07Å; F835-I898 HydrophobicContact CD1-CG1 4.17Å; F835-I898 HydrophobicContact CD2-CG1 4.23Å; F835-I898 HydrophobicContact CD2-CG2 3.8Å; F835-I898 HydrophobicContact CE1-CG1 4.3Å; F835-I898 HydrophobicContact CE2-CG1 4.36Å; F835-I898 HydrophobicContact CE2-CG2 4.36Å; F835-I898 HydrophobicContact CG-CD1 4.09Å; F835-I898 HydrophobicContact CG-CG1 4.13Å; F835-I898 HydrophobicContact CG-CG2 4.15Å; F835-I898 HydrophobicContact CZ-CG1 4.39Å; L839-I898 HydrophobicContact CD1-CD1 4.12Å; L839-I898 HydrophobicContact CD2-CD1 4.45Å; L894-I898 WeakPolarHBondContact O-CG1 3.28Å; L894-I898 PolarHBondContact O-N 2.97Å; G895-I898 PolarHBondContact O-N 3.2Å; I898-E900 VanDerWaalsContact C-N 3.29Å; I898-E900 PolarHBondContact O-N 2.98Å; I898-I901 PolarHBondContact O-N 3.28Å; I898-I901 VanDerWaalsContact O-N 3.16Å; I898-V902 HydrophobicContact CG2-CG1 4.19Å; I898-V902 WeakPolarHBondContact O-CG1 3.2Å; I898-V902 WeakPolarHBondContact O-CG2 3.33Å; I898-V902 PolarHBondContact O-N 3.48Å; I898-L962 HydrophobicContact CB-CD1 4.09Å; I898-L962 HydrophobicContact CG2-CD1 3.85Å |
| 899 | S | 92 | Very high | 89.3 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.3 | -44.9 | 176.7 | 161.5 | 0 | 0 | 0 | 0 | 111.8 | G895 L896 R897 L903 Q998 | G895-S899 WeakPolarHBondContact O-CB 3.26Å; G895-S899 PolarHBondContact O-N 3Å; L896-S899 WeakPolarHBondContact O-CB 3.26Å; L896-S899 PolarHBondContact O-N 3.4Å; R897-S899 VanDerWaalsContact C-N 3.33Å; R897-S899 PolarHBondContact O-N 3.16Å; S899-L903 VanDerWaalsContact O-CB 3.27Å; S899-L903 WeakPolarHBondContact O-CB 3.44Å; S899-L903 PolarHBondContact O-N 3.03Å; S899-L903 VanDerWaalsContact O-N 3.12Å; S899-Q998 PolarHBondContact O-NE2 3.47Å; S899-Q998 PolarHBondContact OG-NE2 3.48Å |
| 900 | E | 91.6 | Very high | 88.2 | Confident | 64 Ų | 64 | 30.4 Ų | 30.4 | 30% | 0.299 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -68.9 | -39.2 | 176.8 | -65.1 | -70.9 | 175.1 | 0 | 0 | 112.1 | L896 R897 I898 V902 P904 R993 H1072 | L896-E900 WeakPolarHBondContact O-CG 3.02Å; L896-E900 PolarHBondContact O-N 3.13Å; R897-E900 PolarHBondContact O-N 3.05Å; I898-E900 VanDerWaalsContact C-N 3.29Å; I898-E900 PolarHBondContact O-N 2.98Å; E900-V902 PolarHBondContact O-N 3.33Å; E900-P904 WeakPolarHBondContact O-CD 3.22Å; E900-R993 IonicContact OE1-NH2 3.65Å; E900-R993 PolarHBondContact OE1-NH2 2.89Å; E900-H1072 IonicContact OE1-CD2 2.74Å; E900-H1072 IonicContact OE1-CE1 3.34Å; E900-H1072 IonicContact OE1-NE2 2.87Å; E900-H1072 PolarHBondContact OE1-NE2 3.28Å; E900-H1072 IonicContact OE2-CE1 2.94Å; E900-H1072 PolarHBondContact OE2-CE1 3.48Å; E900-H1072 IonicContact OE2-NE2 2.66Å; E900-H1072 PolarHBondContact OE2-NE2 3.28Å |
| 901 | I | 92.3 | Very high | 86.5 | Confident | 26 Ų | 26 | 29.4 Ų | 29.4 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -41.6 | 177.8 | -71.1 | 162.1 | 0 | 0 | 0 | 112 | I815 C818 E819 L826 F835 R897 I898 P904 | I815-I901 HydrophobicContact CG2-CD1 3.89Å; C818-I901 HydrophobicContact CB-CD1 3.79Å; C818-I901 HydrophobicContact CB-CG1 4.29Å; C818-I901 HydrophobicContact CB-CG2 3.95Å; E819-I901 HydrophobicContact CG-CD1 4.25Å; L826-I901 HydrophobicContact CB-CG2 4.49Å; L826-I901 HydrophobicContact CD1-CG2 3.83Å; L826-I901 HydrophobicContact CD2-CG2 4.18Å; L826-I901 HydrophobicContact CG-CG2 4.38Å; F835-I901 HydrophobicContact CE2-CG2 4.13Å; F835-I901 HydrophobicContact CZ-CD1 4.4Å; R897-I901 VanDerWaalsContact O-CG1 3.32Å; R897-I901 WeakPolarHBondContact O-CG1 3.2Å; R897-I901 PolarHBondContact O-N 3.3Å; I898-I901 PolarHBondContact O-N 3.28Å; I898-I901 VanDerWaalsContact O-N 3.16Å; I901-P904 WeakPolarHBondContact O-CD 3.28Å |
| 902 | V | 91.4 | Very high | 85 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -86.4 | -19.4 | -175.7 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | F835 I898 E900 V905 V906 C955 V959 | F835-V902 HydrophobicContact CD2-CG1 4.5Å; I898-V902 HydrophobicContact CG2-CG1 4.19Å; I898-V902 WeakPolarHBondContact O-CG1 3.2Å; I898-V902 WeakPolarHBondContact O-CG2 3.33Å; I898-V902 PolarHBondContact O-N 3.48Å; E900-V902 PolarHBondContact O-N 3.33Å; V902-V905 WeakPolarHBondContact O-CB 3.33Å; V902-V905 PolarHBondContact O-N 3.3Å; V902-V906 PolarHBondContact O-N 2.87Å; V902-C955 HydrophobicContact CB-CB 3.99Å; V902-C955 HydrophobicContact CG1-CB 4.21Å; V902-V959 HydrophobicContact CG2-CG2 3.69Å |
| 903 | L | 87.1 | Confident | 83.2 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57 | -40.3 | -176.4 | -176.1 | 64.4 | 0 | 0 | 0 | 113.8 | S899 V905 V906 G907 T997 C1001 H1072 | S899-L903 VanDerWaalsContact O-CB 3.27Å; S899-L903 WeakPolarHBondContact O-CB 3.44Å; S899-L903 PolarHBondContact O-N 3.03Å; S899-L903 VanDerWaalsContact O-N 3.12Å; L903-V905 PolarHBondContact O-N 3.09Å; L903-V906 PolarHBondContact O-N 3.48Å; L903-G907 WeakPolarHBondContact O-CA 3.4Å; L903-G907 PolarHBondContact O-N 2.91Å; L903-T997 HydrophobicContact CD2-CG2 3.75Å; L903-C1001 HydrophobicContact CD1-CB 4.04Å; L903-H1072 VanDerWaalsContact CD2-CE1 3.41Å; L903-H1072 WeakPolarHBondContact CD2-CE1 3.43Å |
| 904 | P | 85.6 | Confident | 81.4 | Confident | 67 Ų | 67 | 38.7 Ų | 38.7 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.9 | -31.4 | 174 | -27.6 | 35.5 | 0 | 0 | 0 | 113.8 | E900 I901 H908 L916 | E900-P904 WeakPolarHBondContact O-CD 3.22Å; I901-P904 WeakPolarHBondContact O-CD 3.28Å; P904-H908 WeakPolarHBondContact O-CB 3.23Å; P904-L916 HydrophobicContact CB-CD1 4.25Å; P904-L916 HydrophobicContact CB-CD2 4.18Å |
| 905 | V | 86.4 | Confident | 79.6 | Confident | 15 Ų | 15 | 40.7 Ų | 40.7 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -81.2 | -57.2 | 177.7 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | L826 V902 L903 G907 H908 L916 L951 I952 C955 | L826-V905 HydrophobicContact CD2-CG2 3.89Å; V902-V905 WeakPolarHBondContact O-CB 3.33Å; V902-V905 PolarHBondContact O-N 3.3Å; L903-V905 PolarHBondContact O-N 3.09Å; V905-G907 VanDerWaalsContact C-N 3.3Å; V905-G907 PolarHBondContact O-N 3.23Å; V905-H908 WeakPolarHBondContact O-CB 3.36Å; V905-H908 PolarHBondContact O-N 3.22Å; V905-L916 HydrophobicContact CG2-CD1 3.66Å; V905-L916 HydrophobicContact CG2-CG 4.36Å; V905-L951 HydrophobicContact CG1-CG 4.2Å; V905-L951 HydrophobicContact CG2-CD1 4.42Å; V905-L951 HydrophobicContact CG2-CD2 4.25Å; V905-L951 HydrophobicContact CG2-CG 4.33Å; V905-I952 HydrophobicContact CG1-CB 4.46Å; V905-I952 HydrophobicContact CG1-CG1 3.67Å; V905-C955 HydrophobicContact CB-CB 4.35Å; V905-C955 HydrophobicContact CG1-CB 4.16Å |
| 906 | V | 85.7 | Confident | 77.9 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.6 | -21.3 | -173.9 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | V902 L903 C955 W956 V959 C1002 R1003 H1004 A1007 | V902-V906 PolarHBondContact O-N 2.87Å; L903-V906 PolarHBondContact O-N 3.48Å; V906-C955 HydrophobicContact CG1-CB 3.68Å; V906-W956 HydrophobicContact CG1-CB 4.25Å; V906-V959 HydrophobicContact CG2-CG2 4.39Å; V906-C1002 PolarHBondContact O-SG 2.95Å; V906-R1003 PolarHBondContact O-N 2.88Å; V906-H1004 HydrophobicContact CB-CB 4.31Å; V906-H1004 PolarHBondContact O-N 2.83Å; V906-A1007 HydrophobicContact CB-CB 4.47Å |
| 907 | G | 81.2 | Confident | 76 | Confident | 10 Ų | 10 | 46 Ų | 46 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 0.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L903 V905 R1003 | L903-G907 WeakPolarHBondContact O-CA 3.4Å; L903-G907 PolarHBondContact O-N 2.91Å; V905-G907 VanDerWaalsContact C-N 3.3Å; V905-G907 PolarHBondContact O-N 3.23Å; G907-R1003 VanDerWaalsContact O-CD 3.25Å; G907-R1003 WeakPolarHBondContact O-CD 3.45Å; G907-R1003 PolarHBondContact O-NE 3.48Å; G907-R1003 PolarHBondContact O-NH2 3.31Å |
| 908 | H | 78.8 | Confident | 73.8 | Confident | 62 Ų | 62 | 44.7 Ų | 44.7 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -65.2 | 152.5 | 178.5 | -162.1 | -100.4 | 0 | 0 | 0 | 112.4 | P904 V905 S910 R1003 | P904-H908 WeakPolarHBondContact O-CB 3.23Å; V905-H908 WeakPolarHBondContact O-CB 3.36Å; V905-H908 PolarHBondContact O-N 3.22Å; H908-S910 PolarHBondContact ND1-N 2.87Å; H908-S910 PolarHBondContact O-N 2.94Å; H908-R1003 WeakPolarHBondContact O-CD 3.36Å |
| 909 | E | 67.9 | Low | 71.4 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -64.6 | -27.5 | -179 | -32 | -130.4 | 112.7 | 0 | 0 | 113.7 | P911 R1003 R1081 | E909-P911 WeakPolarHBondContact O-CD 3.43Å; E909-R1003 VanDerWaalsContact CA-NH1 3.29Å; E909-R1003 IonicContact OE1-CZ 3.33Å; E909-R1003 IonicContact OE1-NH1 3.95Å; E909-R1003 PolarHBondContact OE1-NH1 3.18Å; E909-R1003 IonicContact OE1-NH2 3Å; E909-R1081 IonicContact OE1-CZ 2.95Å; E909-R1081 IonicContact OE1-NH2 3.1Å; E909-R1081 PolarHBondContact OE1-NH2 3.17Å |
| 910 | S | 66.8 | Low | 69.2 | Low | 51 Ų | 51 | 62 Ų | 62 | 36% | 0.357 | 33% | 0.334 | S | S | . | . | trans | -105.3 | 90.1 | -177.9 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | H908 E912 G913 | H908-S910 PolarHBondContact ND1-N 2.87Å; H908-S910 PolarHBondContact O-N 2.94Å; S910-E912 VanDerWaalsContact C-N 3.26Å; S910-E912 PolarHBondContact O-N 3.38Å; S910-G913 PolarHBondContact O-N 3.35Å; S910-G913 VanDerWaalsContact O-N 3.15Å | ||
| 911 | P | 54.2 | Low | 67 | Low | 19 Ų | 19 | 62.1 Ų | 62.1 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -18.4 | -174.2 | 28.1 | -36 | 0 | 0 | 0 | 113.9 | E909 G913 | E909-P911 WeakPolarHBondContact O-CD 3.43Å; P911-G913 PolarHBondContact O-N 3.19Å |
| 912 | E | 59.8 | Low | 64.6 | Low | 162 Ų | 162 | 66.3 Ų | 66.3 | 76% | 0.757 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.7 | 175.1 | -68.9 | 172.3 | -157 | 0 | 0 | 112.2 | S910 | S910-E912 VanDerWaalsContact C-N 3.26Å; S910-E912 PolarHBondContact O-N 3.38Å |
| 913 | G | 56.2 | Low | 62.3 | Low | 27 Ų | 27 | 72.3 Ų | 72.3 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | trans | 113.5 | 121.5 | 171 | 0 | 0 | 0 | 0 | 0 | 114.3 | S910 P911 | S910-G913 PolarHBondContact O-N 3.35Å; S910-G913 VanDerWaalsContact O-N 3.15Å; P911-G913 PolarHBondContact O-N 3.19Å | ||
| 914 | V | 56.9 | Low | 60.3 | Low | 77 Ų | 77 | 76.7 Ų | 76.7 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | trans | -120.1 | 133.4 | 158.3 | 174.8 | 0 | 0 | 0 | 0 | 104.6 | L916 | V914-L916 PolarHBondContact O-N 3.2Š| ||
| 915 | L | 57.2 | Low | 58.3 | Low | 45 Ų | 45 | 78.4 Ų | 78.4 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | trans | -55.4 | 135.9 | 170.7 | -100.1 | 102.5 | 0 | 0 | 0 | 108.5 | M827 T917 R945 P948 | M827-L915 HydrophobicContact CE-CD2 3.65Å; M827-L915 HydrophobicContact CE-CG 4.07Å; M827-L915 HydrophobicContact SD-CD2 4.34Å; L915-T917 HydrophobicContact CB-CG2 4.5Å; L915-T917 PolarHBondContact O-N 3.37Å; L915-R945 HydrophobicContact CD2-CB 4.28Å; L915-R945 HydrophobicContact CD2-CG 3.8Å; L915-P948 HydrophobicContact CD1-CB 3.8Å; L915-P948 HydrophobicContact CD1-CG 3.99Å; L915-P948 HydrophobicContact CG-CB 4.46Å | ||
| 916 | L | 58.9 | Low | 56.4 | Low | 41 Ų | 41 | 83.4 Ų | 83.4 | 22% | 0.215 | 45% | 0.449 | C | S | . | . | trans | -65.4 | 85.5 | 166.2 | -66.6 | 171.6 | 0 | 0 | 0 | 107.4 | V823 P904 V905 V914 S918 | V823-L916 HydrophobicContact CG1-CB 4.31Å; V823-L916 WeakPolarHBondContact CG1-O 3.49Å; V823-L916 HydrophobicContact CG2-CB 4.25Å; P904-L916 HydrophobicContact CB-CD1 4.25Å; P904-L916 HydrophobicContact CB-CD2 4.18Å; V905-L916 HydrophobicContact CG2-CD1 3.66Å; V905-L916 HydrophobicContact CG2-CG 4.36Å; V914-L916 PolarHBondContact O-N 3.2Å; L916-S918 PolarHBondContact O-N 3.1Å | ||
| 917 | T | 55 | Low | 54.6 | Low | 102 Ų | 102 | 87.7 Ų | 87.7 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | trans | -75.2 | 110.4 | 170.8 | 49.6 | 0 | 0 | 0 | 0 | 106.5 | L915 D921 | L915-T917 HydrophobicContact CB-CG2 4.5Å; L915-T917 PolarHBondContact O-N 3.37Å; T917-D921 WeakPolarHBondContact CA-OD2 3.44Å | ||
| 918 | S | 48.9 | Very low | 53 | Low | 42 Ų | 42 | 95.1 Ų | 95.1 | 29% | 0.294 | 50% | 0.501 | S | S | . | . | trans | -68.1 | 138.1 | 163.7 | 78.8 | 0 | 0 | 0 | 0 | 106.3 | L916 Q920 D921 | L916-S918 PolarHBondContact O-N 3.1Å; S918-Q920 PolarHBondContact O-N 3.23Å; S918-Q920 PolarHBondContact OG-N 3.49Å; S918-D921 PolarHBondContact N-OD1 3.35Å; S918-D921 WeakPolarHBondContact O-CB 3.27Å; S918-D921 VanDerWaalsContact O-CG 3.24Å; S918-D921 PolarHBondContact O-N 3.42Å; S918-D921 PolarHBondContact OG-N 3.14Å; S918-D921 VanDerWaalsContact OG-N 3.13Å; S918-D921 PolarHBondContact OG-OD1 3.08Å | ||
| 919 | Q | 45.9 | Very low | 51.3 | Low | 201 Ų | 201 | 98.4 Ų | 98.4 | 94% | 0.939 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -4 | 167.2 | -76.4 | -177.7 | -22.4 | 0 | 0 | 112 | ||
| 920 | Q | 45.2 | Very low | 50.4 | Low | 164 Ų | 164 | 96.1 Ų | 96.1 | 77% | 0.766 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 21 | 172 | -68.4 | 179.3 | -28.1 | 0 | 0 | 112.6 | S918 V922 | S918-Q920 PolarHBondContact O-N 3.23Å; S918-Q920 PolarHBondContact OG-N 3.49Å; Q920-V922 CarbonylContact O-C 3.49Å; Q920-V922 PolarHBondContact O-N 3.09Å |
| 921 | D | 44.9 | Very low | 50 | Low | 65 Ų | 65 | 100.1 Ų | 100.1 | 35% | 0.348 | 54% | 0.543 | S | S | . | . | trans | -70 | 8.9 | 163.3 | -66.9 | -7.6 | 0 | 0 | 0 | 111.6 | T917 S918 I923 | T917-D921 WeakPolarHBondContact CA-OD2 3.44Å; S918-D921 PolarHBondContact N-OD1 3.35Å; S918-D921 WeakPolarHBondContact O-CB 3.27Å; S918-D921 VanDerWaalsContact O-CG 3.24Å; S918-D921 PolarHBondContact O-N 3.42Å; S918-D921 PolarHBondContact OG-N 3.14Å; S918-D921 VanDerWaalsContact OG-N 3.13Å; S918-D921 PolarHBondContact OG-OD1 3.08Å; D921-I923 PolarHBondContact O-N 2.93Å | ||
| 922 | V | 41.8 | Very low | 50.5 | Low | 115 Ų | 115 | 106.1 Ų | 106.1 | 70% | 0.697 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -60.3 | 86.3 | 143.1 | -175.1 | 0 | 0 | 0 | 0 | 105.8 | Q920 N924 | Q920-V922 CarbonylContact O-C 3.49Å; Q920-V922 PolarHBondContact O-N 3.09Å; V922-N924 PolarHBondContact O-N 2.52Å |
| 923 | I | 44.6 | Very low | 50.8 | Low | 127 Ų | 127 | 106.1 Ų | 106.1 | 65% | 0.651 | 57% | 0.569 | S | S | * | * | trans | -33.9 | 106.5 | 161.5 | -65 | 164.8 | 0 | 0 | 0 | 106.2 | D921 D925 | D921-I923 PolarHBondContact O-N 2.93Å; I923-D925 VanDerWaalsContact C-N 3.26Å; I923-D925 PolarHBondContact O-N 2.85Å | ||
| 924 | N | 43.6 | Very low | 51.3 | Low | 107 Ų | 107 | 106.3 Ų | 106.3 | 57% | 0.572 | 57% | 0.568 | S | S | * | * | trans | -58.8 | 105.2 | 163.7 | -117.7 | 6.4 | 0 | 0 | 0 | 103.3 | V922 D926 I927 | V922-N924 PolarHBondContact O-N 2.52Å; N924-D926 HydrophobicContact CB-CB 4.43Å; N924-D926 PolarHBondContact O-N 3Å; N924-I927 PolarHBondContact O-N 3.2Å | ||
| 925 | D | 44.7 | Very low | 52.2 | Low | 102 Ų | 102 | 110 Ų | 110 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -54.3 | -10.9 | 172 | -97.5 | -47.4 | 0 | 0 | 0 | 111.2 | I923 I927 K928 | I923-D925 VanDerWaalsContact C-N 3.26Å; I923-D925 PolarHBondContact O-N 2.85Å; D925-I927 VanDerWaalsContact C-N 3.33Å; D925-I927 PolarHBondContact O-N 3.21Å; D925-K928 WeakPolarHBondContact O-CB 3.44Å; D925-K928 PolarHBondContact O-N 2.78Å; D925-K928 IonicContact OD1-NZ 2.63Å; D925-K928 PolarHBondContact OD1-NZ 3.06Å |
| 926 | D | 46.4 | Very low | 53 | Low | 121 Ų | 121 | 111.5 Ų | 111.5 | 65% | 0.647 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -72 | -8.2 | 173.5 | -63 | -21.1 | 0 | 0 | 0 | 115.7 | N924 K928 T929 | N924-D926 HydrophobicContact CB-CB 4.43Å; N924-D926 PolarHBondContact O-N 3Å; D926-K928 PolarHBondContact O-N 3.41Å; D926-T929 PolarHBondContact O-OG1 3.38Å |
| 927 | I | 48.9 | Very low | 53.9 | Low | 91 Ų | 91 | 111 Ų | 111 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -73.9 | -10.4 | 169.6 | -58.4 | 179.7 | 0 | 0 | 0 | 111.3 | N924 D925 T929 A934 | N924-I927 PolarHBondContact O-N 3.2Å; D925-I927 VanDerWaalsContact C-N 3.33Å; D925-I927 PolarHBondContact O-N 3.21Å; I927-T929 PolarHBondContact O-N 3.25Å; I927-T929 VanDerWaalsContact O-N 3.09Å; I927-A934 HydrophobicContact CG2-CB 4.16Å |
| 928 | K | 46.1 | Very low | 54.9 | Low | 166 Ų | 166 | 109.8 Ų | 109.8 | 72% | 0.722 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -70.6 | -1.3 | 179 | -74 | 176.6 | 179.4 | 148.3 | 0 | 115.1 | D925 D926 | D925-K928 WeakPolarHBondContact O-CB 3.44Å; D925-K928 PolarHBondContact O-N 2.78Å; D925-K928 IonicContact OD1-NZ 2.63Å; D925-K928 PolarHBondContact OD1-NZ 3.06Å; D926-K928 PolarHBondContact O-N 3.41Å |
| 929 | T | 43.4 | Very low | 56.5 | Low | 131 Ų | 131 | 113 Ų | 113 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -119 | 14.1 | -176.6 | 53.1 | 0 | 0 | 0 | 0 | 115.9 | D926 I927 | D926-T929 PolarHBondContact O-OG1 3.38Å; I927-T929 PolarHBondContact O-N 3.25Å; I927-T929 VanDerWaalsContact O-N 3.09Å |
| 930 | A | 48.8 | Very low | 58.3 | Low | 62 Ų | 62 | 105.5 Ų | 105.5 | 51% | 0.512 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -130.9 | 130.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A934 | A930-A934 WeakPolarHBondContact O-CB 3.47Š|
| 931 | D | 59.5 | Low | 60 | Low | 136 Ų | 136 | 98.4 Ų | 98.4 | 73% | 0.727 | 51% | 0.507 | S | S | * | . | trans | 32.8 | 138.7 | 158.4 | -71.7 | -35 | 0 | 0 | 0 | 121.1 | E933 A934 | D931-E933 PolarHBondContact O-N 3.35Å; D931-A934 PolarHBondContact O-N 3.24Å | ||
| 932 | E | 63 | Low | 61.7 | Low | 144 Ų | 144 | 97.8 Ų | 97.8 | 67% | 0.673 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -42.3 | -32.1 | 170.1 | -87 | -77.1 | 171.5 | 0 | 0 | 114.3 | A934 Y935 Q936 | E932-A934 PolarHBondContact O-N 3.1Å; E932-Y935 PolarHBondContact O-N 3.31Å; E932-Q936 WeakPolarHBondContact O-CG 3.3Å; E932-Q936 PolarHBondContact O-N 2.9Å; E932-Q936 VanDerWaalsContact O-N 3.11Å |
| 933 | E | 66.2 | Low | 63.6 | Low | 163 Ų | 163 | 97.8 Ų | 97.8 | 76% | 0.762 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 176.3 | -67.5 | -170.3 | 167.5 | 0 | 0 | 113.2 | D931 Y935 Q936 L937 | D931-E933 PolarHBondContact O-N 3.35Å; E933-Y935 VanDerWaalsContact C-N 3.33Å; E933-Y935 PolarHBondContact O-N 3.02Å; E933-Q936 PolarHBondContact O-N 3.18Å; E933-L937 WeakPolarHBondContact O-CB 3.32Å; E933-L937 PolarHBondContact O-N 3.24Å |
| 934 | A | 68.1 | Low | 65.4 | Low | 31 Ų | 31 | 91.8 Ų | 91.8 | 26% | 0.256 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.5 | -37.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I927 A930 D931 E932 L937 N938 | I927-A934 HydrophobicContact CG2-CB 4.16Å; A930-A934 WeakPolarHBondContact O-CB 3.47Å; D931-A934 PolarHBondContact O-N 3.24Å; E932-A934 PolarHBondContact O-N 3.1Å; A934-L937 PolarHBondContact O-N 2.84Å; A934-N938 WeakPolarHBondContact O-CB 3.2Å; A934-N938 PolarHBondContact O-N 2.98Å |
| 935 | Y | 74.5 | Confident | 67.1 | Low | 155 Ų | 155 | 91.6 Ų | 91.6 | 61% | 0.608 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 175.8 | -179.7 | -101.3 | 0 | 0 | 0 | 112.1 | E932 E933 N938 K939 | E932-Y935 PolarHBondContact O-N 3.31Å; E933-Y935 VanDerWaalsContact C-N 3.33Å; E933-Y935 PolarHBondContact O-N 3.02Å; Y935-N938 PolarHBondContact O-N 3.45Å; Y935-K939 PolarHBondContact O-N 2.82Å; Y935-K939 VanDerWaalsContact O-N 3.13Å |
| 936 | Q | 74.9 | Confident | 68.7 | Low | 75 Ų | 75 | 87.9 Ų | 87.9 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 176.5 | -68 | -61.3 | -28.6 | 0 | 0 | 112.1 | E932 E933 N938 K939 F940 | E932-Q936 WeakPolarHBondContact O-CG 3.3Å; E932-Q936 PolarHBondContact O-N 2.9Å; E932-Q936 VanDerWaalsContact O-N 3.11Å; E933-Q936 PolarHBondContact O-N 3.18Å; Q936-N938 VanDerWaalsContact C-N 3.31Å; Q936-N938 PolarHBondContact O-N 3.24Å; Q936-K939 WeakPolarHBondContact O-CB 3.3Å; Q936-K939 PolarHBondContact O-N 3.17Å; Q936-F940 HydrophobicContact CB-CE2 4.48Å; Q936-F940 WeakPolarHBondContact O-CD2 3.44Å; Q936-F940 PolarHBondContact O-N 3.33Å |
| 937 | L | 76.7 | Confident | 70.2 | Confident | 32 Ų | 32 | 86.3 Ų | 86.3 | 17% | 0.168 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 176.7 | -164 | 73.8 | 0 | 0 | 0 | 110.8 | I817 L821 I824 S828 E933 A934 K939 F940 Y941 | I817-L937 HydrophobicContact CG2-CD1 3.65Å; I817-L937 HydrophobicContact CG2-CD2 4.43Å; L821-L937 HydrophobicContact CD1-CD2 3.54Å; I824-L937 HydrophobicContact CG2-CD2 4.05Å; I824-L937 HydrophobicContact CG2-CG 4.22Å; S828-L937 WeakPolarHBondContact OG-CD1 3.26Å; S828-L937 WeakPolarHBondContact OG-CG 3.22Å; S828-L937 PolarHBondContact OG-O 3.31Å; E933-L937 WeakPolarHBondContact O-CB 3.32Å; E933-L937 PolarHBondContact O-N 3.24Å; A934-L937 PolarHBondContact O-N 2.84Å; L937-K939 VanDerWaalsContact C-N 3.32Å; L937-K939 PolarHBondContact O-N 2.88Å; L937-F940 PolarHBondContact O-N 3.33Å; L937-F940 VanDerWaalsContact O-N 3.17Å; L937-Y941 PolarHBondContact O-N 3.34Å |
| 938 | N | 76.9 | Confident | 71.4 | Confident | 76 Ų | 76 | 83 Ų | 83 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 178.6 | -160.3 | 23.1 | 0 | 0 | 0 | 112.6 | A934 Y935 Q936 F940 Y941 E942 | A934-N938 WeakPolarHBondContact O-CB 3.2Å; A934-N938 PolarHBondContact O-N 2.98Å; Y935-N938 PolarHBondContact O-N 3.45Å; Q936-N938 VanDerWaalsContact C-N 3.31Å; Q936-N938 PolarHBondContact O-N 3.24Å; N938-F940 VanDerWaalsContact C-N 3.34Å; N938-F940 PolarHBondContact O-N 2.96Å; N938-Y941 WeakPolarHBondContact O-CB 3.39Å; N938-Y941 PolarHBondContact O-N 3.47Å; N938-E942 WeakPolarHBondContact O-CG 3.42Å; N938-E942 PolarHBondContact O-N 3.5Å |
| 939 | K | 82.7 | Confident | 73 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 47% | 0.47 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 175.5 | -173.9 | -179.9 | -178.1 | 178.2 | 0 | 113.1 | Y935 Q936 L937 K943 | Y935-K939 PolarHBondContact O-N 2.82Å; Y935-K939 VanDerWaalsContact O-N 3.13Å; Q936-K939 WeakPolarHBondContact O-CB 3.3Å; Q936-K939 PolarHBondContact O-N 3.17Å; L937-K939 VanDerWaalsContact C-N 3.32Å; L937-K939 PolarHBondContact O-N 2.88Å; K939-K943 PolarHBondContact O-N 2.74Å |
| 940 | F | 83.3 | Confident | 74.8 | Confident | 44 Ų | 44 | 76.2 Ų | 76.2 | 19% | 0.193 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.1 | -40.1 | 176.3 | -70.7 | -55.9 | 0 | 0 | 0 | 112.2 | T831 N832 Q936 L937 N938 K943 T944 | T831-F940 WeakPolarHBondContact OG1-CB 3.34Å; T831-F940 PolarHBondContact OG1-O 3.11Å; N832-F940 HydrophobicContact CB-CD1 3.96Å; N832-F940 HydrophobicContact CB-CD2 4.05Å; N832-F940 HydrophobicContact CB-CE1 3.88Å; N832-F940 HydrophobicContact CB-CE2 3.97Å; N832-F940 HydrophobicContact CB-CG 4.06Å; N832-F940 HydrophobicContact CB-CZ 3.89Å; N832-F940 WeakPolarHBondContact ND2-CE2 3.27Å; Q936-F940 HydrophobicContact CB-CE2 4.48Å; Q936-F940 WeakPolarHBondContact O-CD2 3.44Å; Q936-F940 PolarHBondContact O-N 3.33Å; L937-F940 PolarHBondContact O-N 3.33Å; L937-F940 VanDerWaalsContact O-N 3.17Å; N938-F940 VanDerWaalsContact C-N 3.34Å; N938-F940 PolarHBondContact O-N 2.96Å; F940-K943 PolarHBondContact O-N 3.39Å; F940-T944 PolarHBondContact O-N 3.35Å; F940-T944 PolarHBondContact O-OG1 2.93Å |
| 941 | Y | 81.8 | Confident | 76.6 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54 | -51.5 | 171.1 | 161.6 | -96.2 | 0 | 0 | 0 | 111.7 | I824 M827 S828 L937 N938 K943 T944 R945 | I824-Y941 HydrophobicContact CB-CD2 4.3Å; I824-Y941 HydrophobicContact CG1-CD2 4.18Å; I824-Y941 HydrophobicContact CG1-CE2 4.26Å; I824-Y941 HydrophobicContact CG2-CD2 4.26Å; I824-Y941 HydrophobicContact CG2-CG 4.2Å; M827-Y941 HydrophobicContact CB-CD2 3.82Å; M827-Y941 HydrophobicContact CG-CD2 4.27Å; M827-Y941 HydrophobicContact SD-CD2 3.53Å; M827-Y941 VanDerWaalsContact SD-CD2 3.53Å; M827-Y941 HydrophobicContact SD-CE2 3.38Å; M827-Y941 WeakPolarHBondContact SD-CE2 3.48Å; S828-Y941 PolarHBondContact OG-N 3.23Å; L937-Y941 PolarHBondContact O-N 3.34Å; N938-Y941 WeakPolarHBondContact O-CB 3.39Å; N938-Y941 PolarHBondContact O-N 3.47Å; Y941-K943 VanDerWaalsContact C-N 3.29Å; Y941-K943 PolarHBondContact O-N 2.75Å; Y941-T944 PolarHBondContact O-N 2.94Å; Y941-R945 WeakPolarHBondContact O-CB 3.32Å; Y941-R945 PolarHBondContact O-N 2.97Å; Y941-R945 PolarHBondContact OH-NH1 3.38Å; Y941-R945 VanDerWaalsContact OH-NH1 3.09Å |
| 942 | E | 80.1 | Confident | 77.9 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 24% | 0.243 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -36.7 | -178.7 | -76.3 | -58.3 | 154.2 | 0 | 0 | 112.8 | N938 T944 N946 | N938-E942 WeakPolarHBondContact O-CG 3.42Å; N938-E942 PolarHBondContact O-N 3.5Å; E942-T944 PolarHBondContact O-N 3.3Å; E942-N946 PolarHBondContact O-N 3.48Å; E942-N946 PolarHBondContact O-ND2 2.89Å |
| 943 | K | 82.1 | Confident | 79 | Confident | 115 Ų | 115 | 63.4 Ų | 63.4 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 174.5 | -74.9 | -178.2 | 178 | -177.4 | 0 | 112.4 | T831 K939 F940 Y941 H947 | T831-K943 HydrophobicContact CG2-CB 4.08Å; K939-K943 PolarHBondContact O-N 2.74Å; F940-K943 PolarHBondContact O-N 3.39Å; Y941-K943 VanDerWaalsContact C-N 3.29Å; Y941-K943 PolarHBondContact O-N 2.75Å; K943-H947 PolarHBondContact O-CD2 3.38Å |
| 944 | T | 81.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.8 | -35.4 | 180 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | M827 V830 T831 F940 Y941 E942 N946 H947 L951 | M827-T944 HydrophobicContact CB-CG2 4Å; M827-T944 HydrophobicContact CG-CG2 4.01Å; M827-T944 VanDerWaalsContact O-CB 3.27Å; M827-T944 WeakPolarHBondContact O-CB 3.44Å; M827-T944 PolarHBondContact O-OG1 3.33Å; V830-T944 HydrophobicContact CB-CG2 4.29Å; V830-T944 HydrophobicContact CG1-CG2 3.95Å; T831-T944 WeakPolarHBondContact CG2-OG1 3.47Å; F940-T944 PolarHBondContact O-N 3.35Å; F940-T944 PolarHBondContact O-OG1 2.93Å; Y941-T944 PolarHBondContact O-N 2.94Å; E942-T944 PolarHBondContact O-N 3.3Å; T944-N946 PolarHBondContact O-N 2.94Å; T944-H947 CarbonylContact O-C 3.56Å; T944-H947 WeakPolarHBondContact O-CA 3.28Å; T944-H947 PolarHBondContact O-N 3.2Å; T944-L951 HydrophobicContact CG2-CB 3.89Å |
| 945 | R | 80.4 | Confident | 81.2 | Confident | 103 Ų | 103 | 54.3 Ų | 54.3 | 39% | 0.389 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.6 | -40.6 | 175 | 173.4 | 175.8 | -179.7 | 153.6 | -2.5 | 111.5 | L915 Y941 H947 | L915-R945 HydrophobicContact CD2-CB 4.28Å; L915-R945 HydrophobicContact CD2-CG 3.8Å; Y941-R945 WeakPolarHBondContact O-CB 3.32Å; Y941-R945 PolarHBondContact O-N 2.97Å; Y941-R945 PolarHBondContact OH-NH1 3.38Å; Y941-R945 VanDerWaalsContact OH-NH1 3.09Å; R945-H947 PolarHBondContact O-N 3.42Å |
| 946 | N | 77.2 | Confident | 81.9 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 13% | 0.128 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -10.3 | 176.2 | -73.8 | -42.9 | 0 | 0 | 0 | 114.1 | E942 T944 G1828 I1831 R1835 | E942-N946 PolarHBondContact O-N 3.48Å; E942-N946 PolarHBondContact O-ND2 2.89Å; T944-N946 PolarHBondContact O-N 2.94Å; N946-G1828 PolarHBondContact ND2-O 3.26Å; N946-I1831 HydrophobicContact CB-CB 3.83Å; N946-I1831 HydrophobicContact CB-CD1 3.41Å; N946-I1831 VanDerWaalsContact CB-CD1 3.41Å; N946-I1831 HydrophobicContact CB-CG1 4.14Å; N946-I1831 HydrophobicContact CB-CG2 3.79Å; N946-I1831 WeakPolarHBondContact O-CG2 3.32Å; N946-R1835 PolarHBondContact O-NH2 3.4Å |
| 947 | H | 78.6 | Confident | 82.7 | Confident | 87 Ų | 87 | 48.1 Ų | 48.1 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | trans | -137 | 66.3 | -179.8 | -61.5 | -77.9 | 0 | 0 | 0 | 114.2 | K943 T944 R945 E949 Y950 R1835 | K943-H947 PolarHBondContact O-CD2 3.38Å; T944-H947 CarbonylContact O-C 3.56Å; T944-H947 WeakPolarHBondContact O-CA 3.28Å; T944-H947 PolarHBondContact O-N 3.2Å; R945-H947 PolarHBondContact O-N 3.42Å; H947-E949 VanDerWaalsContact C-N 3.28Å; H947-E949 PolarHBondContact O-N 2.98Å; H947-Y950 VanDerWaalsContact O-CB 3.26Å; H947-Y950 WeakPolarHBondContact O-CB 3.32Å; H947-Y950 PolarHBondContact O-N 3.44Å; H947-R1835 PolarHBondContact ND1-NH2 3.45Å | ||
| 948 | P | 74 | Confident | 83.5 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -28.8 | -177.2 | 23.2 | -34.9 | 0 | 0 | 0 | 114.9 | L915 Y950 L951 I952 | L915-P948 HydrophobicContact CD1-CB 3.8Å; L915-P948 HydrophobicContact CD1-CG 3.99Å; L915-P948 HydrophobicContact CG-CB 4.46Å; P948-Y950 PolarHBondContact O-N 2.7Å; P948-L951 WeakPolarHBondContact O-CB 3.25Å; P948-L951 PolarHBondContact O-N 3.26Å; P948-I952 PolarHBondContact O-N 3.04Å |
| 949 | E | 80 | Confident | 84.3 | Confident | 98 Ų | 98 | 43.1 Ų | 43.1 | 46% | 0.458 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.9 | -31.2 | 175.5 | -56 | 81.2 | -179.9 | 0 | 0 | 111.4 | H947 I952 L953 R1835 | H947-E949 VanDerWaalsContact C-N 3.28Å; H947-E949 PolarHBondContact O-N 2.98Å; E949-I952 PolarHBondContact O-N 3Å; E949-L953 WeakPolarHBondContact O-CB 3.39Å; E949-L953 PolarHBondContact O-N 2.95Å; E949-R1835 IonicContact OE1-CZ 3.71Å; E949-R1835 IonicContact OE1-NH1 2.64Å; E949-R1835 PolarHBondContact OE1-NH1 2.83Å; E949-R1835 IonicContact OE1-NH2 2.83Å; E949-R1835 IonicContact OE2-CZ 3.79Å; E949-R1835 IonicContact OE2-NH1 3.47Å; E949-R1835 PolarHBondContact OE2-NH1 3.44Å; E949-R1835 IonicContact OE2-NH2 3.61Å; E949-R1835 PolarHBondContact OE2-NH2 3.46Å |
| 950 | Y | 81.7 | Confident | 84.7 | Confident | 58 Ų | 58 | 40.9 Ų | 40.9 | 23% | 0.227 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.5 | -37.7 | 178.2 | -172.1 | -108 | 0 | 0 | 0 | 111.8 | S761 V830 T831 H947 P948 I952 L953 C954 | S761-Y950 PolarHBondContact O-OH 3.16Å; V830-Y950 HydrophobicContact CG1-CD1 3.35Å; V830-Y950 HydrophobicContact CG1-CE1 3.38Å; V830-Y950 HydrophobicContact CG1-CG 4.45Å; V830-Y950 WeakPolarHBondContact O-CE1 3.34Å; T831-Y950 HydrophobicContact CG2-CE1 4.44Å; H947-Y950 VanDerWaalsContact O-CB 3.26Å; H947-Y950 WeakPolarHBondContact O-CB 3.32Å; H947-Y950 PolarHBondContact O-N 3.44Å; P948-Y950 PolarHBondContact O-N 2.7Å; Y950-I952 VanDerWaalsContact C-N 3.34Å; Y950-I952 PolarHBondContact O-N 2.89Å; Y950-L953 HydrophobicContact CD2-CD2 4.03Å; Y950-L953 HydrophobicContact CE2-CD2 4.26Å; Y950-L953 WeakPolarHBondContact O-CB 3.45Å; Y950-L953 PolarHBondContact O-N 3.39Å; Y950-C954 PolarHBondContact O-N 3.17Å; Y950-C954 PolarHBondContact O-SG 2.92Å |
| 951 | L | 86.5 | Confident | 85.2 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.3 | -49.6 | 170.2 | 170.3 | 62.7 | 0 | 0 | 0 | 110.9 | L826 M827 V830 V905 T944 P948 L953 C954 C955 | L826-L951 HydrophobicContact CD2-CD1 4.12Å; L826-L951 HydrophobicContact CG-CD1 3.93Å; M827-L951 HydrophobicContact CE-CD2 3.98Å; M827-L951 HydrophobicContact CG-CD2 4.31Å; V830-L951 HydrophobicContact CG2-CD1 3.77Å; V905-L951 HydrophobicContact CG1-CG 4.2Å; V905-L951 HydrophobicContact CG2-CD1 4.42Å; V905-L951 HydrophobicContact CG2-CD2 4.25Å; V905-L951 HydrophobicContact CG2-CG 4.33Å; T944-L951 HydrophobicContact CG2-CB 3.89Å; P948-L951 WeakPolarHBondContact O-CB 3.25Å; P948-L951 PolarHBondContact O-N 3.26Å; L951-L953 PolarHBondContact O-N 2.92Å; L951-C954 PolarHBondContact O-N 3.49Å; L951-C955 WeakPolarHBondContact O-CB 3.36Å; L951-C955 PolarHBondContact O-N 2.66Å; L951-C955 PolarHBondContact O-SG 3.1Å |
| 952 | I | 85.8 | Confident | 85.8 | Confident | 15 Ų | 15 | 38.1 Ų | 38.1 | 8% | 0.077 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 179.5 | -66.6 | 158.7 | 0 | 0 | 0 | 110.8 | V905 P948 E949 Y950 C954 C955 W956 H1004 | V905-I952 HydrophobicContact CG1-CB 4.46Å; V905-I952 HydrophobicContact CG1-CG1 3.67Å; P948-I952 PolarHBondContact O-N 3.04Å; E949-I952 PolarHBondContact O-N 3Å; Y950-I952 VanDerWaalsContact C-N 3.34Å; Y950-I952 PolarHBondContact O-N 2.89Å; I952-C954 VanDerWaalsContact C-N 3.33Å; I952-C954 PolarHBondContact O-N 3.29Å; I952-C955 PolarHBondContact O-N 2.94Å; I952-W956 PolarHBondContact O-N 3.26Å; I952-H1004 VanDerWaalsContact CG2-CD2 3.48Å; I952-H1004 WeakPolarHBondContact CG2-CD2 3.32Å |
| 953 | L | 86.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 35.7 Ų | 35.7 | 27% | 0.267 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -52.7 | -50.6 | 175.9 | -179.5 | 66.3 | 0 | 0 | 0 | 111.7 | E949 Y950 L951 W956 R957 | E949-L953 WeakPolarHBondContact O-CB 3.39Å; E949-L953 PolarHBondContact O-N 2.95Å; Y950-L953 HydrophobicContact CD2-CD2 4.03Å; Y950-L953 HydrophobicContact CE2-CD2 4.26Å; Y950-L953 WeakPolarHBondContact O-CB 3.45Å; Y950-L953 PolarHBondContact O-N 3.39Å; L951-L953 PolarHBondContact O-N 2.92Å; L953-W956 VanDerWaalsContact CA-CD1 3.49Å; L953-W956 HydrophobicContact CD1-CZ2 3.62Å; L953-R957 HydrophobicContact CD1-CG 4.46Å; L953-R957 WeakPolarHBondContact O-CB 3.38Å; L953-R957 VanDerWaalsContact O-CG 3.22Å; L953-R957 WeakPolarHBondContact O-CG 3.45Å; L953-R957 PolarHBondContact O-N 2.79Å; L953-R957 VanDerWaalsContact O-N 3.1Å |
| 954 | C | 89.1 | Confident | 86.9 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.3 | -40.5 | -180 | -70.1 | 0 | 0 | 0 | 0 | 112.4 | V830 Y836 Y950 L951 I952 S958 | V830-C954 HydrophobicContact CB-CB 4.43Å; V830-C954 HydrophobicContact CG1-CB 4.06Å; V830-C954 HydrophobicContact CG2-CB 3.81Å; Y836-C954 HydrophobicContact CD1-CB 4.23Å; Y836-C954 HydrophobicContact CE1-CB 4.45Å; Y950-C954 PolarHBondContact O-N 3.17Å; Y950-C954 PolarHBondContact O-SG 2.92Å; L951-C954 PolarHBondContact O-N 3.49Å; I952-C954 VanDerWaalsContact C-N 3.33Å; I952-C954 PolarHBondContact O-N 3.29Å; C954-S958 WeakPolarHBondContact O-CB 3.36Å; C954-S958 PolarHBondContact O-N 3.31Å; C954-S958 PolarHBondContact O-OG 3.14Å |
| 955 | C | 90.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.6 | -49.9 | 178.2 | -72.9 | 0 | 0 | 0 | 0 | 112.3 | V902 V905 V906 L951 I952 R957 S958 V959 | V902-C955 HydrophobicContact CB-CB 3.99Å; V902-C955 HydrophobicContact CG1-CB 4.21Å; V905-C955 HydrophobicContact CB-CB 4.35Å; V905-C955 HydrophobicContact CG1-CB 4.16Å; V906-C955 HydrophobicContact CG1-CB 3.68Å; L951-C955 WeakPolarHBondContact O-CB 3.36Å; L951-C955 PolarHBondContact O-N 2.66Å; L951-C955 PolarHBondContact O-SG 3.1Å; I952-C955 PolarHBondContact O-N 2.94Å; C955-R957 PolarHBondContact O-N 3.44Å; C955-S958 WeakPolarHBondContact O-CB 3.41Å; C955-S958 PolarHBondContact O-N 2.86Å; C955-V959 PolarHBondContact O-N 2.87Å; C955-V959 VanDerWaalsContact O-N 3.12Å |
| 956 | W | 90 | Very high | 87.9 | Confident | 50 Ų | 50 | 26.7 Ų | 26.7 | 19% | 0.189 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.8 | -32.8 | -179.9 | 78.5 | -107.8 | 0 | 0 | 0 | 112.4 | V906 I952 L953 S958 V959 R960 H1004 A1007 L1010 | V906-W956 HydrophobicContact CG1-CB 4.25Å; I952-W956 PolarHBondContact O-N 3.26Å; L953-W956 VanDerWaalsContact CA-CD1 3.49Å; L953-W956 HydrophobicContact CD1-CZ2 3.62Å; W956-S958 VanDerWaalsContact C-N 3.31Å; W956-V959 PolarHBondContact O-N 3.35Å; W956-R960 PolarHBondContact O-N 2.96Å; W956-H1004 AromaticContact CD1-CE1 3.26Å; W956-H1004 AromaticContact CD1-ND1 3.76Å; W956-H1004 AromaticContact CD1-NE2 3.86Å; W956-H1004 AromaticContact CG-CE1 3.61Å; W956-H1004 AromaticContact CG-ND1 3.72Å; W956-H1004 AromaticContact NE1-CE1 3.71Å; W956-A1007 HydrophobicContact CB-CB 3.79Å; W956-L1010 HydrophobicContact CE3-CD1 4.02Å; W956-L1010 HydrophobicContact CH2-CD1 4.33Å; W956-L1010 HydrophobicContact CZ3-CD1 3.4Å; W956-L1010 VanDerWaalsContact CZ3-CD1 3.4Å |
| 957 | R | 90.3 | Very high | 88.4 | Confident | 50 Ų | 50 | 25.5 Ų | 25.5 | 19% | 0.189 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 171.9 | -74.4 | -178.9 | 79.6 | 140 | -3 | 111.5 | P763 Y836 L953 C955 R960 E961 | P763-R957 PolarHBondContact O-NH2 2.91Å; Y836-R957 HydrophobicContact CD1-CB 4.49Å; Y836-R957 HydrophobicContact CD2-CB 4.25Å; Y836-R957 HydrophobicContact CG-CB 3.92Å; L953-R957 HydrophobicContact CD1-CG 4.46Å; L953-R957 WeakPolarHBondContact O-CB 3.38Å; L953-R957 VanDerWaalsContact O-CG 3.22Å; L953-R957 WeakPolarHBondContact O-CG 3.45Å; L953-R957 PolarHBondContact O-N 2.79Å; L953-R957 VanDerWaalsContact O-N 3.1Å; C955-R957 PolarHBondContact O-N 3.44Å; R957-R960 WeakPolarHBondContact O-CB 3.38Å; R957-R960 PolarHBondContact O-N 2.97Å; R957-E961 WeakPolarHBondContact O-CG 3.26Å; R957-E961 PolarHBondContact O-N 3.41Å |
| 958 | S | 93.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 174.8 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | Y836 C954 C955 W956 R960 E961 L962 | Y836-S958 PolarHBondContact N-OG 3.13Å; C954-S958 WeakPolarHBondContact O-CB 3.36Å; C954-S958 PolarHBondContact O-N 3.31Å; C954-S958 PolarHBondContact O-OG 3.14Å; C955-S958 WeakPolarHBondContact O-CB 3.41Å; C955-S958 PolarHBondContact O-N 2.86Å; W956-S958 VanDerWaalsContact C-N 3.31Å; S958-R960 VanDerWaalsContact C-N 3.34Å; S958-R960 PolarHBondContact O-N 3.43Å; S958-E961 PolarHBondContact O-N 2.89Å; S958-L962 WeakPolarHBondContact O-CG 3.37Å; S958-L962 PolarHBondContact O-N 3.4Å |
| 959 | V | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 173.8 | 177 | 0 | 0 | 0 | 0 | 111.6 | V902 V906 C955 W956 L962 S963 F994 Q998 A1007 C1011 | V902-V959 HydrophobicContact CG2-CG2 3.69Å; V906-V959 HydrophobicContact CG2-CG2 4.39Å; C955-V959 PolarHBondContact O-N 2.87Å; C955-V959 VanDerWaalsContact O-N 3.12Å; W956-V959 PolarHBondContact O-N 3.35Å; V959-L962 PolarHBondContact O-N 3.31Å; V959-S963 WeakPolarHBondContact O-CB 3.34Å; V959-S963 PolarHBondContact O-N 3.22Å; V959-S963 PolarHBondContact O-OG 3.38Å; V959-F994 HydrophobicContact CG1-CZ 4.38Å; V959-Q998 HydrophobicContact CG1-CB 4.33Å; V959-Q998 HydrophobicContact CG1-CG 4.12Å; V959-A1007 HydrophobicContact CB-CB 4.45Å; V959-A1007 HydrophobicContact CG1-CB 4.35Å; V959-C1011 HydrophobicContact CG1-CB 4.37Å |
| 960 | R | 92.1 | Very high | 89.4 | Confident | 60 Ų | 60 | 19.2 Ų | 19.2 | 23% | 0.226 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.5 | -54 | 174.6 | 175.9 | -161.2 | -174.9 | -119.8 | 4.7 | 111.1 | W956 R957 S958 L962 S963 L964 L1010 | W956-R960 PolarHBondContact O-N 2.96Å; R957-R960 WeakPolarHBondContact O-CB 3.38Å; R957-R960 PolarHBondContact O-N 2.97Å; S958-R960 VanDerWaalsContact C-N 3.34Å; S958-R960 PolarHBondContact O-N 3.43Å; R960-L962 VanDerWaalsContact C-N 3.31Å; R960-L962 PolarHBondContact O-N 3.09Å; R960-S963 PolarHBondContact O-N 3.47Å; R960-S963 VanDerWaalsContact O-N 3.14Å; R960-S963 PolarHBondContact O-OG 2.92Å; R960-L964 HydrophobicContact CG-CD1 4.15Å; R960-L964 WeakPolarHBondContact O-CG 3.48Å; R960-L964 PolarHBondContact O-N 3.34Å; R960-L964 VanDerWaalsContact O-N 3.07Å; R960-L1010 HydrophobicContact CB-CB 4.29Å; R960-L1010 HydrophobicContact CB-CD1 4.15Å; R960-L1010 HydrophobicContact CG-CB 4.05Å; R960-L1010 HydrophobicContact CG-CD1 3.83Å |
| 961 | E | 92.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 16.6 Ų | 16.6 | 1% | 0.014 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.4 | -41.4 | -177.3 | -62.9 | -48.7 | 136.5 | 0 | 0 | 111.5 | L839 R843 R957 S958 S963 L964 L965 | L839-E961 HydrophobicContact CB-CB 3.75Å; L839-E961 HydrophobicContact CB-CG 4.45Å; L839-E961 HydrophobicContact CD1-CB 4.49Å; R843-E961 IonicContact CZ-OE2 2.75Å; R843-E961 IonicContact NE-OE2 3.1Å; R843-E961 PolarHBondContact NE-OE2 3.03Å; R843-E961 IonicContact NH2-OE1 3.97Å; R843-E961 IonicContact NH2-OE2 2.7Å; R843-E961 PolarHBondContact NH2-OE2 2.86Å; R957-E961 WeakPolarHBondContact O-CG 3.26Å; R957-E961 PolarHBondContact O-N 3.41Å; S958-E961 PolarHBondContact O-N 2.89Å; E961-S963 PolarHBondContact O-N 3.07Å; E961-L964 PolarHBondContact O-N 3.23Å; E961-L965 VanDerWaalsContact O-CB 3.26Å; E961-L965 WeakPolarHBondContact O-CB 3.33Å; E961-L965 PolarHBondContact O-N 3.05Å |
| 962 | L | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 173.2 | -72.3 | 175 | 0 | 0 | 0 | 112.3 | L839 G895 I898 S958 V959 R960 L964 L965 M966 F994 | L839-L962 HydrophobicContact CD1-CD1 4.47Å; L839-L962 HydrophobicContact CD1-CD2 3.85Å; L839-L962 HydrophobicContact CD1-CG 3.78Å; L839-L962 HydrophobicContact CD2-CD2 3.66Å; L839-L962 HydrophobicContact CD2-CG 4.48Å; L839-L962 HydrophobicContact CG-CD2 4.41Å; G895-L962 WeakPolarHBondContact O-CD1 3.39Å; I898-L962 HydrophobicContact CB-CD1 4.09Å; I898-L962 HydrophobicContact CG2-CD1 3.85Å; S958-L962 WeakPolarHBondContact O-CG 3.37Å; S958-L962 PolarHBondContact O-N 3.4Å; V959-L962 PolarHBondContact O-N 3.31Å; R960-L962 VanDerWaalsContact C-N 3.31Å; R960-L962 PolarHBondContact O-N 3.09Å; L962-L964 VanDerWaalsContact C-N 3.33Å; L962-L964 PolarHBondContact O-N 2.9Å; L962-L965 PolarHBondContact O-N 2.99Å; L962-M966 HydrophobicContact CD2-CE 4.45Å; L962-M966 WeakPolarHBondContact O-CB 3.23Å; L962-M966 WeakPolarHBondContact O-CG 3.45Å; L962-M966 PolarHBondContact O-N 3.39Å; L962-F994 HydrophobicContact CB-CE1 4.49Å; L962-F994 HydrophobicContact CB-CE2 3.67Å; L962-F994 HydrophobicContact CB-CZ 3.6Å; L962-F994 HydrophobicContact CD1-CE2 3.91Å; L962-F994 HydrophobicContact CG-CE2 4.44Å |
| 963 | S | 94.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | -179.5 | 74.9 | 0 | 0 | 0 | 0 | 113 | V959 R960 E961 G967 G1014 | V959-S963 WeakPolarHBondContact O-CB 3.34Å; V959-S963 PolarHBondContact O-N 3.22Å; V959-S963 PolarHBondContact O-OG 3.38Å; R960-S963 PolarHBondContact O-N 3.47Å; R960-S963 VanDerWaalsContact O-N 3.14Å; R960-S963 PolarHBondContact O-OG 2.92Å; E961-S963 PolarHBondContact O-N 3.07Å; S963-G967 PolarHBondContact O-N 3.29Å; S963-G1014 WeakPolarHBondContact O-CA 3.39Å |
| 964 | L | 91.5 | Very high | 87.4 | Confident | 28 Ų | 28 | 15.8 Ų | 15.8 | 15% | 0.147 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -74.6 | -37.8 | 177.4 | -63.2 | 174.9 | 0 | 0 | 0 | 111.2 | R843 R960 E961 L962 I968 S969 | R843-L964 VanDerWaalsContact CD-CB 3.44Å; R960-L964 HydrophobicContact CG-CD1 4.15Å; R960-L964 WeakPolarHBondContact O-CG 3.48Å; R960-L964 PolarHBondContact O-N 3.34Å; R960-L964 VanDerWaalsContact O-N 3.07Å; E961-L964 PolarHBondContact O-N 3.23Å; L962-L964 VanDerWaalsContact C-N 3.33Å; L962-L964 PolarHBondContact O-N 2.9Å; L964-I968 HydrophobicContact CD2-CD1 3.57Å; L964-I968 HydrophobicContact CD2-CG1 4.44Å; L964-I968 VanDerWaalsContact O-CB 3.27Å; L964-I968 WeakPolarHBondContact O-CB 3.43Å; L964-I968 PolarHBondContact O-N 3.21Å; L964-S969 PolarHBondContact O-N 3Å; L964-S969 PolarHBondContact O-OG 3.43Å |
| 965 | L | 90.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -64.3 | -53.2 | 176 | -177.3 | 60.8 | 0 | 0 | 0 | 110.7 | L839 I842 R843 I846 I891 E961 L962 S969 L970 | L839-L965 HydrophobicContact CD2-CD2 4.39Å; I842-L965 HydrophobicContact CG2-CD1 4.37Å; I842-L965 HydrophobicContact CG2-CD2 4.21Å; R843-L965 HydrophobicContact CB-CD1 4.2Å; I846-L965 HydrophobicContact CD1-CD1 3.99Å; I891-L965 HydrophobicContact CG2-CD2 3.5Å; I891-L965 HydrophobicContact CG2-CG 4.06Å; E961-L965 VanDerWaalsContact O-CB 3.26Å; E961-L965 WeakPolarHBondContact O-CB 3.33Å; E961-L965 PolarHBondContact O-N 3.05Å; L962-L965 PolarHBondContact O-N 2.99Å; L965-S969 VanDerWaalsContact O-CB 3.31Å; L965-S969 WeakPolarHBondContact O-CB 3.26Å; L965-S969 PolarHBondContact O-N 3.46Å; L965-L970 WeakPolarHBondContact O-CG 3.3Å; L965-L970 PolarHBondContact O-N 2.76Å |
| 966 | M | 91.5 | Very high | 85.3 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -69.1 | -52.1 | -178.3 | -68 | -176.2 | 176.9 | 0 | 0 | 112.6 | L962 V971 I991 F994 F995 | L962-M966 HydrophobicContact CD2-CE 4.45Å; L962-M966 WeakPolarHBondContact O-CB 3.23Å; L962-M966 WeakPolarHBondContact O-CG 3.45Å; L962-M966 PolarHBondContact O-N 3.39Å; M966-V971 VanDerWaalsContact O-CG2 3.3Å; M966-V971 WeakPolarHBondContact O-CG2 3.5Å; M966-I991 HydrophobicContact CB-CG1 4.34Å; M966-I991 HydrophobicContact CB-CG2 4.15Å; M966-I991 HydrophobicContact CG-CG1 4.41Å; M966-I991 HydrophobicContact SD-CG1 4.46Å; M966-F994 HydrophobicContact CE-CB 4.29Å; M966-F994 HydrophobicContact CE-CD2 4.26Å; M966-F994 HydrophobicContact CE-CG 4.17Å; M966-F994 HydrophobicContact SD-CB 3.59Å; M966-F994 VanDerWaalsContact SD-CB 3.59Å; M966-F994 HydrophobicContact SD-CD1 3.42Å; M966-F994 WeakPolarHBondContact SD-CD1 3.44Å; M966-F994 HydrophobicContact SD-CD2 3.92Å; M966-F994 HydrophobicContact SD-CE1 4.08Å; M966-F994 HydrophobicContact SD-CE2 4.49Å; M966-F994 HydrophobicContact SD-CG 3.33Å; M966-F994 WeakPolarHBondContact SD-CG 3.35Å; M966-F995 HydrophobicContact CB-CE2 4.28Å; M966-F995 HydrophobicContact CB-CZ 4.39Å |
| 967 | G | 88.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | I | π-helix | trans | -84.4 | -16.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S963 G1014 N1017 F1018 | S963-G967 PolarHBondContact O-N 3.29Å; G967-G1014 WeakPolarHBondContact CA-O 3.36Å; G967-N1017 WeakPolarHBondContact O-CB 3.37Å; G967-F1018 PolarHBondContact O-N 3.11Å |
| 968 | I | 85.6 | Confident | 81.8 | Confident | 62 Ų | 62 | 28.1 Ų | 28.1 | 32% | 0.318 | 15% | 0.152 | S | C | . | . | I | π-helix | trans | -116.6 | -57.5 | -179.2 | -45.9 | -170.1 | 0 | 0 | 0 | 110.3 | L964 S972 N1017 | L964-I968 HydrophobicContact CD2-CD1 3.57Å; L964-I968 HydrophobicContact CD2-CG1 4.44Å; L964-I968 VanDerWaalsContact O-CB 3.27Å; L964-I968 WeakPolarHBondContact O-CB 3.43Å; L964-I968 PolarHBondContact O-N 3.21Å; I968-S972 WeakPolarHBondContact O-CB 3.44Å; I968-S972 PolarHBondContact O-N 3.49Å; I968-S972 PolarHBondContact O-OG 3.03Å; I968-N1017 HydrophobicContact CG1-CB 4.32Å; I968-N1017 WeakPolarHBondContact CG1-ND2 3.42Å |
| 969 | S | 82.8 | Confident | 79.6 | Confident | 11 Ų | 11 | 32.9 Ų | 32.9 | 8% | 0.077 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -71.3 | -58.5 | -170.3 | -46.2 | 0 | 0 | 0 | 0 | 110.5 | L964 L965 V971 S972 Y973 | L964-S969 PolarHBondContact O-N 3Å; L964-S969 PolarHBondContact O-OG 3.43Å; L965-S969 VanDerWaalsContact O-CB 3.31Å; L965-S969 WeakPolarHBondContact O-CB 3.26Å; L965-S969 PolarHBondContact O-N 3.46Å; S969-V971 PolarHBondContact O-N 3.13Å; S969-S972 PolarHBondContact O-N 3.34Å; S969-S972 PolarHBondContact O-OG 3.16Å; S969-Y973 WeakPolarHBondContact O-CD2 3.32Å |
| 970 | L | 84.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -64.8 | -40.9 | -177.9 | -63.5 | -176.5 | 0 | 0 | 0 | 112.8 | I888 I891 I892 L965 S972 Y973 G974 M983 I991 | I888-L970 HydrophobicContact CG1-CD2 4.32Å; I888-L970 HydrophobicContact CG2-CD1 4.42Å; I888-L970 HydrophobicContact CG2-CD2 4.32Å; I891-L970 HydrophobicContact CD1-CD2 4.44Å; I891-L970 HydrophobicContact CG2-CD1 4.03Å; I892-L970 HydrophobicContact CD1-CD1 4.26Å; I892-L970 HydrophobicContact CG1-CD1 3.81Å; L965-L970 WeakPolarHBondContact O-CG 3.3Å; L965-L970 PolarHBondContact O-N 2.76Å; L970-S972 VanDerWaalsContact C-N 3.27Å; L970-S972 PolarHBondContact O-N 3.42Å; L970-Y973 PolarHBondContact O-N 3.43Å; L970-Y973 VanDerWaalsContact O-N 3.08Å; L970-G974 PolarHBondContact O-N 3.42Å; L970-M983 HydrophobicContact CB-CE 3.71Å; L970-M983 HydrophobicContact CD1-CE 4.23Å; L970-M983 HydrophobicContact CG-CE 4.46Å; L970-I991 HydrophobicContact CD1-CD1 4.49Å |
| 971 | V | 83 | Confident | 75.6 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.9 | -38.9 | 176.3 | 166.3 | 0 | 0 | 0 | 0 | 112.4 | M966 S969 Y973 G974 L975 F1018 A1021 | M966-V971 VanDerWaalsContact O-CG2 3.3Å; M966-V971 WeakPolarHBondContact O-CG2 3.5Å; S969-V971 PolarHBondContact O-N 3.13Å; V971-Y973 PolarHBondContact O-N 2.89Å; V971-G974 PolarHBondContact O-N 3.39Å; V971-L975 HydrophobicContact CG1-CB 4.42Å; V971-L975 HydrophobicContact CG1-CD1 4.31Å; V971-L975 HydrophobicContact CG2-CD1 4.39Å; V971-L975 PolarHBondContact O-N 3.23Å; V971-F1018 HydrophobicContact CG2-CB 4.37Å; V971-F1018 HydrophobicContact CG2-CD2 3.63Å; V971-F1018 HydrophobicContact CG2-CE2 4.46Å; V971-F1018 HydrophobicContact CG2-CG 4.47Å; V971-A1021 HydrophobicContact CG1-CB 3.23Å |
| 972 | S | 75.2 | Confident | 74.3 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -25.2 | 178.5 | 72.6 | 0 | 0 | 0 | 0 | 113.7 | I968 S969 L970 | I968-S972 WeakPolarHBondContact O-CB 3.44Å; I968-S972 PolarHBondContact O-N 3.49Å; I968-S972 PolarHBondContact O-OG 3.03Å; S969-S972 PolarHBondContact O-N 3.34Å; S969-S972 PolarHBondContact O-OG 3.16Å; L970-S972 VanDerWaalsContact C-N 3.27Å; L970-S972 PolarHBondContact O-N 3.42Å |
| 973 | Y | 70.1 | Confident | 73.5 | Confident | 17 Ų | 17 | 43 Ų | 43 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -90.2 | -39.7 | 175.2 | -67.6 | -72.6 | 0 | 0 | 0 | 112.7 | I846 I873 A875 L878 S969 L970 V971 | I846-Y973 HydrophobicContact CG2-CD2 4.34Å; I846-Y973 HydrophobicContact CG2-CE2 3.7Å; I846-Y973 PolarHBondContact O-OH 3.08Å; I873-Y973 WeakPolarHBondContact O-CE1 3.36Å; A875-Y973 HydrophobicContact CB-CD1 3.86Å; L878-Y973 HydrophobicContact CD1-CD1 4.2Å; L878-Y973 HydrophobicContact CD1-CD2 3.85Å; L878-Y973 HydrophobicContact CD1-CE1 4.2Å; L878-Y973 HydrophobicContact CD1-CE2 3.85Å; L878-Y973 HydrophobicContact CD1-CG 4.03Å; S969-Y973 WeakPolarHBondContact O-CD2 3.32Å; L970-Y973 PolarHBondContact O-N 3.43Å; L970-Y973 VanDerWaalsContact O-N 3.08Å; V971-Y973 PolarHBondContact O-N 2.89Å |
| 974 | G | 70.7 | Confident | 73.1 | Confident | 4 Ų | 4 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -93.2 | -25 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | L970 V971 M983 | L970-G974 PolarHBondContact O-N 3.42Å; V971-G974 PolarHBondContact O-N 3.39Å; G974-M983 PolarHBondContact O-N 3.42Å |
| 975 | L | 72.5 | Confident | 72.9 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -23.2 | -172.5 | -71.4 | 175.7 | 0 | 0 | 0 | 114.8 | V971 I988 F1018 A1021 L1022 Y1028 | V971-L975 HydrophobicContact CG1-CB 4.42Å; V971-L975 HydrophobicContact CG1-CD1 4.31Å; V971-L975 HydrophobicContact CG2-CD1 4.39Å; V971-L975 PolarHBondContact O-N 3.23Å; L975-I988 HydrophobicContact CD2-CD1 3.81Å; L975-F1018 HydrophobicContact CD1-CD2 4.42Å; L975-F1018 HydrophobicContact CD1-CE2 4.28Å; L975-A1021 HydrophobicContact CB-CB 3.91Å; L975-A1021 HydrophobicContact CD1-CB 3.76Å; L975-L1022 HydrophobicContact CD1-CD2 4.03Å; L975-Y1028 HydrophobicContact CD2-CD2 4.18Å; L975-Y1028 HydrophobicContact CD2-CE2 4.33Å |
| 976 | N | 63.7 | Low | 72.8 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -87.6 | -10.3 | -173.8 | -76.3 | -11 | 0 | 0 | 0 | 114.5 | ||
| 977 | K | 56.2 | Low | 72.8 | Confident | 121 Ų | 121 | 55.4 Ų | 55.4 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | trans | -111.6 | 134.2 | -179.9 | -70 | -171.5 | 176.4 | -175.5 | 0 | 110.6 | D979 | K977-D979 PolarHBondContact O-N 2.87Š| ||
| 978 | S | 49.8 | Very low | 73 | Confident | 118 Ų | 118 | 55.4 Ų | 55.4 | 83% | 0.825 | 30% | 0.296 | S | S | * | . | trans | -72.8 | -1.1 | 178 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 979 | D | 48.4 | Very low | 73.4 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -78.2 | 156.2 | -176.9 | -63.3 | -34.2 | 0 | 0 | 0 | 111.8 | K977 N981 | K977-D979 PolarHBondContact O-N 2.87Å; D979-N981 PolarHBondContact O-N 3.41Å |
| 980 | S | 48.6 | Very low | 73.9 | Confident | 115 Ų | 115 | 55.1 Ų | 55.1 | 80% | 0.804 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -56.9 | 1.8 | -174.6 | 51.7 | 0 | 0 | 0 | 0 | 117 | Q982 | S980-Q982 VanDerWaalsContact C-N 3.34Å; S980-Q982 PolarHBondContact O-N 3.38Å |
| 981 | N | 52.7 | Low | 74.4 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 28% | 0.283 | 30% | 0.295 | S | S | . | . | trans | -99 | 46.4 | -178.8 | -65.5 | -30.6 | 0 | 0 | 0 | 111.7 | E876 D979 | E876-N981 VanDerWaalsContact CG-ND2 3.34Å; E876-N981 WeakPolarHBondContact CG-ND2 3.38Å; E876-N981 PolarHBondContact OE1-ND2 3.35Å; D979-N981 PolarHBondContact O-N 3.41Å | ||
| 982 | Q | 64.6 | Low | 75 | Confident | 100 Ų | 100 | 54.9 Ų | 54.9 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 142.5 | -178.9 | -65.4 | -170 | -23.4 | 0 | 0 | 111.3 | S980 K984 | S980-Q982 VanDerWaalsContact C-N 3.34Å; S980-Q982 PolarHBondContact O-N 3.38Å; Q982-K984 PolarHBondContact O-N 2.69Å |
| 983 | M | 79.4 | Confident | 75.9 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 137.2 | 167.1 | -90.5 | 177 | 144.6 | 0 | 0 | 110.3 | I888 I892 L970 G974 E987 I988 I991 | I888-M983 HydrophobicContact CG2-CE 3.3Å; I892-M983 HydrophobicContact CD1-CE 3.8Å; L970-M983 HydrophobicContact CB-CE 3.71Å; L970-M983 HydrophobicContact CD1-CE 4.23Å; L970-M983 HydrophobicContact CG-CE 4.46Å; G974-M983 PolarHBondContact O-N 3.42Å; M983-E987 WeakPolarHBondContact CA-OE2 3.25Å; M983-I988 HydrophobicContact CB-CD1 4.09Å; M983-I988 HydrophobicContact CB-CG1 3.86Å; M983-I991 HydrophobicContact CE-CD1 3.67Å; M983-I991 HydrophobicContact SD-CD1 4.11Å |
| 984 | K | 84.9 | Confident | 77 | Confident | 105 Ų | 105 | 56 Ų | 56 | 46% | 0.457 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 147.9 | 177.1 | -63.7 | 172.3 | -174.2 | 165.3 | 0 | 109.4 | Q982 K986 E987 I988 | Q982-K984 PolarHBondContact O-N 2.69Å; K984-K986 PolarHBondContact O-N 2.87Å; K984-E987 HydrophobicContact CB-CG 4.21Å; K984-E987 PolarHBondContact N-OE2 2.95Å; K984-E987 WeakPolarHBondContact O-CB 3.48Å; K984-E987 PolarHBondContact O-N 3.16Å; K984-I988 PolarHBondContact O-N 3.4Å |
| 985 | P | 88 | Confident | 78.2 | Confident | 15 Ų | 15 | 55.8 Ų | 55.8 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55 | -33.1 | 177.9 | -28.3 | 35.8 | 0 | 0 | 0 | 114 | E987 I988 F989 Y1028 E1059 I1061 F1063 | P985-E987 VanDerWaalsContact C-N 3.34Å; P985-E987 PolarHBondContact O-N 3.43Å; P985-I988 PolarHBondContact O-N 2.99Å; P985-F989 WeakPolarHBondContact O-CB 3.36Å; P985-F989 PolarHBondContact O-N 2.98Å; P985-Y1028 WeakPolarHBondContact CG-OH 3.08Å; P985-E1059 HydrophobicContact CG-CB 4.41Å; P985-E1059 VanDerWaalsContact CG-CD 3.48Å; P985-E1059 HydrophobicContact CG-CG 4.24Å; P985-E1059 WeakPolarHBondContact CG-OE2 3.38Å; P985-I1061 HydrophobicContact CB-CD1 3.87Å; P985-F1063 WeakPolarHBondContact O-CZ 3.36Å |
| 986 | K | 89.2 | Confident | 79.1 | Confident | 156 Ų | 156 | 55 Ų | 55 | 68% | 0.678 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -60.6 | -40 | 173.7 | -68.6 | -175.2 | 178.7 | 179.1 | 0 | 113 | K984 F989 S990 I1061 | K984-K986 PolarHBondContact O-N 2.87Å; K986-F989 PolarHBondContact O-N 3.36Å; K986-S990 WeakPolarHBondContact O-CB 3.39Å; K986-S990 PolarHBondContact O-N 2.83Å; K986-S990 PolarHBondContact O-OG 3.1Å; K986-I1061 HydrophobicContact CB-CD1 4.2Å; K986-I1061 HydrophobicContact CG-CD1 3.47Å; K986-I1061 VanDerWaalsContact CG-CD1 3.47Å |
| 987 | E | 90.7 | Very high | 80.2 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -42.7 | 179.8 | -65.8 | 165.8 | 168.9 | 0 | 0 | 110.6 | I892 M983 K984 P985 F989 S990 I991 | I892-E987 HydrophobicContact CD1-CB 3.7Å; I892-E987 HydrophobicContact CD1-CG 4.14Å; M983-E987 WeakPolarHBondContact CA-OE2 3.25Å; K984-E987 HydrophobicContact CB-CG 4.21Å; K984-E987 PolarHBondContact N-OE2 2.95Å; K984-E987 WeakPolarHBondContact O-CB 3.48Å; K984-E987 PolarHBondContact O-N 3.16Å; P985-E987 VanDerWaalsContact C-N 3.34Å; P985-E987 PolarHBondContact O-N 3.43Å; E987-F989 VanDerWaalsContact C-N 3.34Å; E987-S990 WeakPolarHBondContact O-CB 3.43Å; E987-S990 PolarHBondContact O-N 2.95Å; E987-I991 WeakPolarHBondContact O-CG1 3.31Å; E987-I991 PolarHBondContact O-N 2.62Å |
| 988 | I | 92.4 | Very high | 81.8 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 176.3 | -60.9 | 169.6 | 0 | 0 | 0 | 110.3 | L975 M983 K984 P985 I991 A992 F1018 L1022 Y1028 F1063 | L975-I988 HydrophobicContact CD2-CD1 3.81Å; M983-I988 HydrophobicContact CB-CD1 4.09Å; M983-I988 HydrophobicContact CB-CG1 3.86Å; K984-I988 PolarHBondContact O-N 3.4Å; P985-I988 PolarHBondContact O-N 2.99Å; I988-I991 PolarHBondContact O-N 2.76Å; I988-A992 WeakPolarHBondContact O-CB 3.28Å; I988-A992 PolarHBondContact O-N 3.48Å; I988-F1018 HydrophobicContact CG2-CE2 4.17Å; I988-F1018 HydrophobicContact CG2-CZ 4.04Å; I988-L1022 HydrophobicContact CG2-CD2 3.87Å; I988-Y1028 HydrophobicContact CD1-CD2 4Å; I988-Y1028 HydrophobicContact CD1-CE1 4.28Å; I988-Y1028 HydrophobicContact CD1-CE2 3.24Å; I988-Y1028 VanDerWaalsContact CD1-CZ 3.42Å; I988-Y1028 WeakPolarHBondContact CD1-OH 3.44Å; I988-F1063 HydrophobicContact CB-CE1 4.42Å; I988-F1063 HydrophobicContact CB-CZ 4.48Å; I988-F1063 HydrophobicContact CG2-CE1 3.99Å; I988-F1063 HydrophobicContact CG2-CZ 4.39Å |
| 989 | F | 94.3 | Very high | 83.7 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 174.7 | 178.7 | -99.1 | 0 | 0 | 0 | 112.1 | P985 K986 E987 I991 A992 R993 I1061 D1062 F1063 S1067 C1068 | P985-F989 WeakPolarHBondContact O-CB 3.36Å; P985-F989 PolarHBondContact O-N 2.98Å; K986-F989 PolarHBondContact O-N 3.36Å; E987-F989 VanDerWaalsContact C-N 3.34Å; F989-I991 PolarHBondContact O-N 3.41Å; F989-A992 WeakPolarHBondContact O-CB 3.47Å; F989-A992 PolarHBondContact O-N 2.94Å; F989-R993 WeakPolarHBondContact O-CB 3.48Å; F989-R993 PolarHBondContact O-N 2.81Å; F989-I1061 HydrophobicContact CB-CG2 3.78Å; F989-I1061 HydrophobicContact CD1-CG2 4.17Å; F989-I1061 HydrophobicContact CD2-CG2 3.53Å; F989-I1061 HydrophobicContact CE2-CG2 4.17Å; F989-I1061 HydrophobicContact CG-CG2 3.53Å; F989-D1062 WeakPolarHBondContact CE2-O 3.4Å; F989-F1063 VanDerWaalsContact CA-CE1 3.4Å; F989-F1063 HydrophobicContact CB-CD1 4.35Å; F989-F1063 HydrophobicContact CB-CE1 3.64Å; F989-F1063 HydrophobicContact CB-CE2 4.43Å; F989-F1063 HydrophobicContact CB-CZ 3.69Å; F989-F1063 AromaticContact CD2-CD1 3.91Å; F989-F1063 HydrophobicContact CD2-CD1 3.91Å; F989-F1063 HydrophobicContact CD2-CE1 4.07Å; F989-F1063 HydrophobicContact CD2-CG 4.18Å; F989-F1063 HydrophobicContact CD2-CZ 4.43Å; F989-F1063 HydrophobicContact CG-CE1 4.38Å; F989-S1067 WeakPolarHBondContact CE2-OG 3.31Å; F989-S1067 WeakPolarHBondContact CZ-OG 3.4Å; F989-C1068 VanDerWaalsContact CE2-SG 3.59Å |
| 990 | S | 93.5 | Very high | 85.6 | Confident | 31 Ų | 31 | 34 Ų | 34 | 22% | 0.217 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 175.4 | -73.7 | 0 | 0 | 0 | 0 | 112.8 | K986 E987 R993 F994 | K986-S990 WeakPolarHBondContact O-CB 3.39Å; K986-S990 PolarHBondContact O-N 2.83Å; K986-S990 PolarHBondContact O-OG 3.1Å; E987-S990 WeakPolarHBondContact O-CB 3.43Å; E987-S990 PolarHBondContact O-N 2.95Å; S990-R993 PolarHBondContact O-N 3.06Å; S990-F994 PolarHBondContact O-N 2.86Å |
| 991 | I | 94.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 173.7 | -68.8 | 170.8 | 0 | 0 | 0 | 110.9 | I892 M966 L970 M983 E987 I988 F989 R993 F994 F995 F1018 | I892-I991 HydrophobicContact CD1-CD1 3.85Å; I892-I991 HydrophobicContact CD1-CG1 4.02Å; I892-I991 HydrophobicContact CG1-CD1 4.33Å; I892-I991 HydrophobicContact CG1-CG1 4.17Å; M966-I991 HydrophobicContact CB-CG1 4.34Å; M966-I991 HydrophobicContact CB-CG2 4.15Å; M966-I991 HydrophobicContact CG-CG1 4.41Å; M966-I991 HydrophobicContact SD-CG1 4.46Å; L970-I991 HydrophobicContact CD1-CD1 4.49Å; M983-I991 HydrophobicContact CE-CD1 3.67Å; M983-I991 HydrophobicContact SD-CD1 4.11Å; E987-I991 WeakPolarHBondContact O-CG1 3.31Å; E987-I991 PolarHBondContact O-N 2.62Å; I988-I991 PolarHBondContact O-N 2.76Å; F989-I991 PolarHBondContact O-N 3.41Å; I991-R993 VanDerWaalsContact C-N 3.32Å; I991-R993 PolarHBondContact O-N 3.34Å; I991-F994 WeakPolarHBondContact O-CB 3.49Å; I991-F994 PolarHBondContact O-N 3.09Å; I991-F995 HydrophobicContact CG2-CD2 3.74Å; I991-F995 HydrophobicContact CG2-CE2 3.6Å; I991-F995 WeakPolarHBondContact O-CD2 3.42Å; I991-F995 PolarHBondContact O-N 3.24Å; I991-F995 VanDerWaalsContact O-N 3.11Å; I991-F1018 HydrophobicContact CB-CE2 4.26Å; I991-F1018 HydrophobicContact CB-CZ 4.23Å; I991-F1018 HydrophobicContact CG2-CD1 4.27Å; I991-F1018 HydrophobicContact CG2-CD2 3.85Å; I991-F1018 HydrophobicContact CG2-CE1 4.1Å; I991-F1018 HydrophobicContact CG2-CE2 3.67Å; I991-F1018 HydrophobicContact CG2-CG 4.14Å; I991-F1018 HydrophobicContact CG2-CZ 3.79Å |
| 992 | A | 94.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I988 F989 F994 F995 C996 F1018 W1035 | I988-A992 WeakPolarHBondContact O-CB 3.28Å; I988-A992 PolarHBondContact O-N 3.48Å; F989-A992 WeakPolarHBondContact O-CB 3.47Å; F989-A992 PolarHBondContact O-N 2.94Å; A992-F994 PolarHBondContact O-N 3.45Å; A992-F995 PolarHBondContact O-N 3.35Å; A992-C996 WeakPolarHBondContact O-CB 3.4Å; A992-C996 PolarHBondContact O-N 2.93Å; A992-C996 PolarHBondContact O-SG 2.94Å; A992-F1018 HydrophobicContact CB-CE1 3.95Å; A992-F1018 HydrophobicContact CB-CZ 4.12Å; A992-W1035 HydrophobicContact CB-CH2 3.63Å; A992-W1035 HydrophobicContact CB-CZ2 3.69Å |
| 993 | R | 94 | Very high | 89.4 | Confident | 72 Ų | 72 | 25.2 Ų | 25.2 | 27% | 0.272 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -56.7 | -48.6 | 174.5 | 168.7 | 165.5 | -178.3 | 139.7 | 0.2 | 112.1 | L896 E900 F989 S990 I991 F995 C996 T997 C1068 | L896-R993 HydrophobicContact CD2-CG 4.17Å; E900-R993 IonicContact OE1-NH2 3.65Å; E900-R993 PolarHBondContact OE1-NH2 2.89Å; F989-R993 WeakPolarHBondContact O-CB 3.48Å; F989-R993 PolarHBondContact O-N 2.81Å; S990-R993 PolarHBondContact O-N 3.06Å; I991-R993 VanDerWaalsContact C-N 3.32Å; I991-R993 PolarHBondContact O-N 3.34Å; R993-F995 PolarHBondContact O-N 3.36Å; R993-C996 PolarHBondContact O-N 3.1Å; R993-T997 WeakPolarHBondContact O-CB 3.39Å; R993-T997 PolarHBondContact O-N 3.17Å; R993-T997 PolarHBondContact O-OG1 3.35Å; R993-C1068 VanDerWaalsContact CA-O 3.26Å; R993-C1068 WeakPolarHBondContact CA-O 3.1Å; R993-C1068 VanDerWaalsContact CB-O 3.32Å; R993-C1068 WeakPolarHBondContact CB-O 3.32Å; R993-C1068 VanDerWaalsContact CG-O 3.22Å; R993-C1068 WeakPolarHBondContact CG-O 3.3Å |
| 994 | F | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.3 | -51.9 | 175.8 | 166.2 | -96.3 | 0 | 0 | 0 | 111.8 | L896 V959 L962 M966 S990 I991 A992 Q998 | L896-F994 HydrophobicContact CD2-CB 3.9Å; V959-F994 HydrophobicContact CG1-CZ 4.38Å; L962-F994 HydrophobicContact CB-CE1 4.49Å; L962-F994 HydrophobicContact CB-CE2 3.67Å; L962-F994 HydrophobicContact CB-CZ 3.6Å; L962-F994 HydrophobicContact CD1-CE2 3.91Å; L962-F994 HydrophobicContact CG-CE2 4.44Å; M966-F994 HydrophobicContact CE-CB 4.29Å; M966-F994 HydrophobicContact CE-CD2 4.26Å; M966-F994 HydrophobicContact CE-CG 4.17Å; M966-F994 HydrophobicContact SD-CB 3.59Å; M966-F994 VanDerWaalsContact SD-CB 3.59Å; M966-F994 HydrophobicContact SD-CD1 3.42Å; M966-F994 WeakPolarHBondContact SD-CD1 3.44Å; M966-F994 HydrophobicContact SD-CD2 3.92Å; M966-F994 HydrophobicContact SD-CE1 4.08Å; M966-F994 HydrophobicContact SD-CE2 4.49Å; M966-F994 HydrophobicContact SD-CG 3.33Å; M966-F994 WeakPolarHBondContact SD-CG 3.35Å; S990-F994 PolarHBondContact O-N 2.86Å; I991-F994 WeakPolarHBondContact O-CB 3.49Å; I991-F994 PolarHBondContact O-N 3.09Å; A992-F994 PolarHBondContact O-N 3.45Å; F994-Q998 HydrophobicContact CD2-CG 3.97Å; F994-Q998 HydrophobicContact CE2-CG 3.69Å; F994-Q998 HydrophobicContact CZ-CG 4.07Å; F994-Q998 WeakPolarHBondContact O-CB 3.44Å; F994-Q998 VanDerWaalsContact O-CG 3.28Å; F994-Q998 WeakPolarHBondContact O-CG 3.38Å; F994-Q998 PolarHBondContact O-N 3.06Å |
| 995 | F | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.5 | -43.8 | -177.4 | -77.8 | -62.5 | 0 | 0 | 0 | 113 | M966 I991 A992 R993 Q998 L999 G1014 F1015 F1018 | M966-F995 HydrophobicContact CB-CE2 4.28Å; M966-F995 HydrophobicContact CB-CZ 4.39Å; I991-F995 HydrophobicContact CG2-CD2 3.74Å; I991-F995 HydrophobicContact CG2-CE2 3.6Å; I991-F995 WeakPolarHBondContact O-CD2 3.42Å; I991-F995 PolarHBondContact O-N 3.24Å; I991-F995 VanDerWaalsContact O-N 3.11Å; A992-F995 PolarHBondContact O-N 3.35Å; R993-F995 PolarHBondContact O-N 3.36Å; F995-Q998 PolarHBondContact O-N 3.3Å; F995-L999 VanDerWaalsContact O-CB 3.3Å; F995-L999 WeakPolarHBondContact O-CB 3.38Å; F995-L999 PolarHBondContact O-N 2.88Å; F995-G1014 VanDerWaalsContact CZ-C 3.49Å; F995-F1015 HydrophobicContact CB-CD2 3.36Å; F995-F1015 HydrophobicContact CB-CE2 3.79Å; F995-F1015 HydrophobicContact CB-CG 4.16Å; F995-F1015 HydrophobicContact CD1-CB 3.55Å; F995-F1015 AromaticContact CD1-CD2 3.92Å; F995-F1015 HydrophobicContact CD1-CD2 3.92Å; F995-F1015 HydrophobicContact CD1-CG 4.12Å; F995-F1015 AromaticContact CD2-CD2 3.9Å; F995-F1015 HydrophobicContact CD2-CD2 3.9Å; F995-F1015 HydrophobicContact CE1-CB 3.86Å; F995-F1015 HydrophobicContact CG-CB 4.04Å; F995-F1015 AromaticContact CG-CD2 3.47Å; F995-F1015 HydrophobicContact CG-CD2 3.47Å; F995-F1015 VanDerWaalsContact CG-CD2 3.47Å; F995-F1015 HydrophobicContact CG-CE2 4.32Å; F995-F1015 HydrophobicContact CG-CG 4.14Å; F995-F1018 HydrophobicContact CD2-CB 4.27Å; F995-F1018 AromaticContact CD2-CD1 3.72Å; F995-F1018 HydrophobicContact CD2-CD1 3.72Å; F995-F1018 HydrophobicContact CD2-CE1 4.31Å; F995-F1018 HydrophobicContact CD2-CG 4.13Å; F995-F1018 HydrophobicContact CE2-CB 3.85Å; F995-F1018 HydrophobicContact CE2-CD1 4.11Å; F995-F1018 HydrophobicContact CE2-CG 4.03Å |
| 996 | C | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.9 | -48.6 | 177.6 | -70.6 | 0 | 0 | 0 | 0 | 111.2 | A992 R993 L1000 L1065 C1068 M1069 | A992-C996 WeakPolarHBondContact O-CB 3.4Å; A992-C996 PolarHBondContact O-N 2.93Å; A992-C996 PolarHBondContact O-SG 2.94Å; R993-C996 PolarHBondContact O-N 3.1Å; C996-L1000 WeakPolarHBondContact O-CB 3.46Å; C996-L1000 VanDerWaalsContact O-CG 3.25Å; C996-L1000 WeakPolarHBondContact O-CG 3.2Å; C996-L1000 PolarHBondContact O-N 3.4Å; C996-L1000 VanDerWaalsContact O-N 3.09Å; C996-L1065 HydrophobicContact CB-CD1 4.37Å; C996-C1068 HydrophobicContact CB-CB 4.07Å; C996-M1069 HydrophobicContact CB-CG 4.16Å |
| 997 | T | 88.2 | Confident | 88.6 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -50.5 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | L903 R993 C1001 | L903-T997 HydrophobicContact CD2-CG2 3.75Å; R993-T997 WeakPolarHBondContact O-CB 3.39Å; R993-T997 PolarHBondContact O-N 3.17Å; R993-T997 PolarHBondContact O-OG1 3.35Å; T997-C1001 WeakPolarHBondContact O-CA 3.44Å; T997-C1001 WeakPolarHBondContact O-CB 3.42Å; T997-C1001 PolarHBondContact O-N 3.23Å; T997-C1001 PolarHBondContact O-SG 2.82Å |
| 998 | Q | 89.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.6 | -40.6 | -175.3 | -68.1 | -61.4 | -34 | 0 | 0 | 113 | S899 V959 F994 F995 C1002 | S899-Q998 PolarHBondContact O-NE2 3.47Å; S899-Q998 PolarHBondContact OG-NE2 3.48Å; V959-Q998 HydrophobicContact CG1-CB 4.33Å; V959-Q998 HydrophobicContact CG1-CG 4.12Å; F994-Q998 HydrophobicContact CD2-CG 3.97Å; F994-Q998 HydrophobicContact CE2-CG 3.69Å; F994-Q998 HydrophobicContact CZ-CG 4.07Å; F994-Q998 WeakPolarHBondContact O-CB 3.44Å; F994-Q998 VanDerWaalsContact O-CG 3.28Å; F994-Q998 WeakPolarHBondContact O-CG 3.38Å; F994-Q998 PolarHBondContact O-N 3.06Å; F995-Q998 PolarHBondContact O-N 3.3Å; Q998-C1002 WeakPolarHBondContact O-CB 3.29Å; Q998-C1002 PolarHBondContact O-N 3.13Å |
| 999 | L | 89.8 | Confident | 88 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75.7 | -29.1 | -179.8 | -74.7 | 170.7 | 0 | 0 | 0 | 113.5 | F995 F1008 C1011 A1012 F1015 G1084 F1088 | F995-L999 VanDerWaalsContact O-CB 3.3Å; F995-L999 WeakPolarHBondContact O-CB 3.38Å; F995-L999 PolarHBondContact O-N 2.88Å; L999-F1008 HydrophobicContact CD2-CB 4.19Å; L999-F1008 VanDerWaalsContact CD2-O 3.31Å; L999-F1008 WeakPolarHBondContact CD2-O 3.43Å; L999-C1011 HydrophobicContact CD2-CB 4.11Å; L999-C1011 HydrophobicContact CG-CB 4.48Å; L999-A1012 HydrophobicContact CD2-CB 3.97Å; L999-F1015 HydrophobicContact CD1-CB 3.63Å; L999-F1015 HydrophobicContact CD1-CD1 3.35Å; L999-F1015 HydrophobicContact CD1-CD2 4.31Å; L999-F1015 HydrophobicContact CD1-CE1 4.05Å; L999-F1015 HydrophobicContact CD1-CG 3.5Å; L999-G1084 WeakPolarHBondContact O-CA 3.22Å; L999-F1088 HydrophobicContact CB-CD2 3.86Å; L999-F1088 HydrophobicContact CD1-CB 4.44Å; L999-F1088 HydrophobicContact CD1-CD2 3.7Å; L999-F1088 HydrophobicContact CD1-CE2 4.5Å; L999-F1088 HydrophobicContact CD1-CG 4.49Å; L999-F1088 HydrophobicContact CG-CD2 4.44Å |
| 1000 | L | 87.6 | Confident | 87.5 | Confident | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.037 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -100.1 | -20.5 | -174.5 | -53.9 | 178.3 | 0 | 0 | 0 | 113.4 | C996 I1039 L1065 M1069 Y1085 F1088 | C996-L1000 WeakPolarHBondContact O-CB 3.46Å; C996-L1000 VanDerWaalsContact O-CG 3.25Å; C996-L1000 WeakPolarHBondContact O-CG 3.2Å; C996-L1000 PolarHBondContact O-N 3.4Å; C996-L1000 VanDerWaalsContact O-N 3.09Å; L1000-I1039 HydrophobicContact CD1-CD1 4.39Å; L1000-I1039 HydrophobicContact CD2-CD1 4.04Å; L1000-L1065 HydrophobicContact CD1-CD1 3.88Å; L1000-L1065 HydrophobicContact CD1-CD2 4.33Å; L1000-L1065 HydrophobicContact CD1-CG 4.41Å; L1000-M1069 HydrophobicContact CD1-CG 4.29Å; L1000-M1069 HydrophobicContact CD1-SD 3.7Å; L1000-Y1085 HydrophobicContact CB-CE2 4.46Å; L1000-Y1085 HydrophobicContact CD2-CD1 3.79Å; L1000-Y1085 HydrophobicContact CD2-CD2 4.09Å; L1000-Y1085 HydrophobicContact CD2-CE1 3.81Å; L1000-Y1085 HydrophobicContact CD2-CE2 4.09Å; L1000-Y1085 HydrophobicContact CD2-CG 3.94Å; L1000-F1088 HydrophobicContact CD1-CE2 4.38Å; L1000-F1088 HydrophobicContact CD2-CB 4.31Å; L1000-F1088 HydrophobicContact CD2-CD2 4.05Å; L1000-F1088 HydrophobicContact CD2-CG 4.14Å; L1000-F1088 HydrophobicContact CG-CD2 4.29Å; L1000-F1088 HydrophobicContact CG-CE2 4.47Å |
| 1001 | C | 83.5 | Confident | 87.4 | Confident | 21 Ų | 21 | 25.3 Ų | 25.3 | 14% | 0.142 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -107.9 | -25.8 | 179.8 | -53.3 | 0 | 0 | 0 | 0 | 114.1 | L903 T997 | L903-C1001 HydrophobicContact CD1-CB 4.04Å; T997-C1001 WeakPolarHBondContact O-CA 3.44Å; T997-C1001 WeakPolarHBondContact O-CB 3.42Å; T997-C1001 PolarHBondContact O-N 3.23Å; T997-C1001 PolarHBondContact O-SG 2.82Å |
| 1002 | C | 83 | Confident | 87.3 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.034 | 12% | 0.118 | C | C | . | . | trans | -70.5 | 147.3 | -179.6 | -170.5 | 0 | 0 | 0 | 0 | 112.4 | V906 Q998 A1007 F1008 | V906-C1002 PolarHBondContact O-SG 2.95Å; Q998-C1002 WeakPolarHBondContact O-CB 3.29Å; Q998-C1002 PolarHBondContact O-N 3.13Å; C1002-A1007 WeakPolarHBondContact SG-CB 3.25Å; C1002-F1008 HydrophobicContact CB-CB 4.44Å | ||
| 1003 | R | 79.6 | Confident | 87 | Confident | 57 Ų | 57 | 29 Ų | 29 | 22% | 0.215 | 14% | 0.139 | C | C | . | . | trans | -123.9 | -15.3 | -178.1 | -55 | -175 | -158.6 | 167.4 | 14.3 | 113.3 | V906 G907 H908 E909 R1005 R1081 | V906-R1003 PolarHBondContact O-N 2.88Å; G907-R1003 VanDerWaalsContact O-CD 3.25Å; G907-R1003 WeakPolarHBondContact O-CD 3.45Å; G907-R1003 PolarHBondContact O-NE 3.48Å; G907-R1003 PolarHBondContact O-NH2 3.31Å; H908-R1003 WeakPolarHBondContact O-CD 3.36Å; E909-R1003 VanDerWaalsContact CA-NH1 3.29Å; E909-R1003 IonicContact OE1-CZ 3.33Å; E909-R1003 IonicContact OE1-NH1 3.95Å; E909-R1003 PolarHBondContact OE1-NH1 3.18Å; E909-R1003 IonicContact OE1-NH2 3Å; R1003-R1005 PolarHBondContact O-N 2.82Å; R1003-R1081 HydrophobicContact CG-CG 4.36Å; R1003-R1081 VanDerWaalsContact NH1-NE 3.11Å; R1003-R1081 VanDerWaalsContact NH1-NH2 3.15Å; R1003-R1081 VanDerWaalsContact NH2-NE 3.17Å | ||
| 1004 | H | 82.6 | Confident | 86.9 | Confident | 36 Ų | 36 | 25.6 Ų | 25.6 | 17% | 0.167 | 13% | 0.126 | C | C | . | . | trans | -75.3 | 118 | 173 | -174.6 | -88.5 | 0 | 0 | 0 | 111 | V906 I952 W956 G1006 A1007 F1008 | V906-H1004 HydrophobicContact CB-CB 4.31Å; V906-H1004 PolarHBondContact O-N 2.83Å; I952-H1004 VanDerWaalsContact CG2-CD2 3.48Å; I952-H1004 WeakPolarHBondContact CG2-CD2 3.32Å; W956-H1004 AromaticContact CD1-CE1 3.26Å; W956-H1004 AromaticContact CD1-ND1 3.76Å; W956-H1004 AromaticContact CD1-NE2 3.86Å; W956-H1004 AromaticContact CG-CE1 3.61Å; W956-H1004 AromaticContact CG-ND1 3.72Å; W956-H1004 AromaticContact NE1-CE1 3.71Å; H1004-G1006 VanDerWaalsContact C-N 3.31Å; H1004-G1006 PolarHBondContact ND1-N 3.13Å; H1004-G1006 PolarHBondContact O-N 3.15Å; H1004-A1007 HydrophobicContact CB-CB 4.33Å; H1004-A1007 PolarHBondContact ND1-N 3.35Å; H1004-A1007 WeakPolarHBondContact O-CB 3.34Å; H1004-A1007 PolarHBondContact O-N 2.95Å; H1004-F1008 WeakPolarHBondContact O-CD1 3.3Å; H1004-F1008 PolarHBondContact O-N 3.43Å | ||
| 1005 | R | 80.4 | Confident | 86.9 | Confident | 166 Ų | 166 | 25.6 Ų | 25.6 | 63% | 0.626 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -53.9 | -43.9 | -174.6 | -172.2 | 175.8 | 178.8 | -162.1 | -8.6 | 114 | R1003 A1007 F1008 E1009 | R1003-R1005 PolarHBondContact O-N 2.82Å; R1005-A1007 VanDerWaalsContact C-N 3.26Å; R1005-A1007 PolarHBondContact O-N 3.39Å; R1005-F1008 HydrophobicContact CB-CE1 4.25Å; R1005-F1008 HydrophobicContact CB-CZ 4.01Å; R1005-F1008 HydrophobicContact CG-CE2 4.32Å; R1005-F1008 HydrophobicContact CG-CZ 3.94Å; R1005-E1009 HydrophobicContact CG-CG 4.08Å; R1005-E1009 IonicContact CZ-OE1 3.53Å; R1005-E1009 VanDerWaalsContact CZ-OE1 3.3Å; R1005-E1009 IonicContact NE-OE1 2.71Å; R1005-E1009 PolarHBondContact NE-OE1 2.82Å; R1005-E1009 IonicContact NE-OE2 2.68Å; R1005-E1009 IonicContact NH2-OE1 3.17Å; R1005-E1009 PolarHBondContact NH2-OE1 3.28Å; R1005-E1009 WeakPolarHBondContact O-CB 3.23Å; R1005-E1009 WeakPolarHBondContact O-CG 3.34Å; R1005-E1009 PolarHBondContact O-N 3.36Å; R1005-E1009 VanDerWaalsContact O-N 3.13Å |
| 1006 | G | 76.8 | Confident | 86.9 | Confident | 20 Ų | 20 | 27.3 Ų | 27.3 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -27.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H1004 L1010 | H1004-G1006 VanDerWaalsContact C-N 3.31Å; H1004-G1006 PolarHBondContact ND1-N 3.13Å; H1004-G1006 PolarHBondContact O-N 3.15Å; G1006-L1010 WeakPolarHBondContact O-CD1 3.39Å; G1006-L1010 WeakPolarHBondContact O-CG 3.49Å |
| 1007 | A | 84.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -76.8 | -55.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V906 W956 V959 C1002 H1004 R1005 C1011 | V906-A1007 HydrophobicContact CB-CB 4.47Å; W956-A1007 HydrophobicContact CB-CB 3.79Å; V959-A1007 HydrophobicContact CB-CB 4.45Å; V959-A1007 HydrophobicContact CG1-CB 4.35Å; C1002-A1007 WeakPolarHBondContact SG-CB 3.25Å; H1004-A1007 HydrophobicContact CB-CB 4.33Å; H1004-A1007 PolarHBondContact ND1-N 3.35Å; H1004-A1007 WeakPolarHBondContact O-CB 3.34Å; H1004-A1007 PolarHBondContact O-N 2.95Å; R1005-A1007 VanDerWaalsContact C-N 3.26Å; R1005-A1007 PolarHBondContact O-N 3.39Å; A1007-C1011 WeakPolarHBondContact O-CB 3.25Å; A1007-C1011 PolarHBondContact O-N 3.38Å |
| 1008 | F | 85.6 | Confident | 87.1 | Confident | 11 Ų | 11 | 30.4 Ų | 30.4 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.9 | -32.6 | -175.1 | 66 | -111.6 | 0 | 0 | 0 | 113.3 | L999 C1002 H1004 R1005 L1010 C1011 A1012 A1083 L1087 | L999-F1008 HydrophobicContact CD2-CB 4.19Å; L999-F1008 VanDerWaalsContact CD2-O 3.31Å; L999-F1008 WeakPolarHBondContact CD2-O 3.43Å; C1002-F1008 HydrophobicContact CB-CB 4.44Å; H1004-F1008 WeakPolarHBondContact O-CD1 3.3Å; H1004-F1008 PolarHBondContact O-N 3.43Å; R1005-F1008 HydrophobicContact CB-CE1 4.25Å; R1005-F1008 HydrophobicContact CB-CZ 4.01Å; R1005-F1008 HydrophobicContact CG-CE2 4.32Å; R1005-F1008 HydrophobicContact CG-CZ 3.94Å; F1008-L1010 VanDerWaalsContact C-N 3.35Å; F1008-L1010 PolarHBondContact O-N 3.08Å; F1008-C1011 PolarHBondContact O-N 3.35Å; F1008-A1012 WeakPolarHBondContact O-CB 3.34Å; F1008-A1012 PolarHBondContact O-N 3Å; F1008-A1083 HydrophobicContact CE1-CB 3.87Å; F1008-A1083 HydrophobicContact CE2-CB 3.88Å; F1008-A1083 HydrophobicContact CZ-CB 3.33Å; F1008-L1087 HydrophobicContact CD2-CD1 3.64Å; F1008-L1087 HydrophobicContact CE2-CD1 3.9Å |
| 1009 | E | 85.3 | Confident | 87.4 | Confident | 76 Ų | 76 | 30.4 Ų | 30.4 | 36% | 0.355 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 177.9 | -77.1 | -173.8 | 164.3 | 0 | 0 | 111.6 | R1005 L1087 | R1005-E1009 HydrophobicContact CG-CG 4.08Å; R1005-E1009 IonicContact CZ-OE1 3.53Å; R1005-E1009 VanDerWaalsContact CZ-OE1 3.3Å; R1005-E1009 IonicContact NE-OE1 2.71Å; R1005-E1009 PolarHBondContact NE-OE1 2.82Å; R1005-E1009 IonicContact NE-OE2 2.68Å; R1005-E1009 IonicContact NH2-OE1 3.17Å; R1005-E1009 PolarHBondContact NH2-OE1 3.28Å; R1005-E1009 WeakPolarHBondContact O-CB 3.23Å; R1005-E1009 WeakPolarHBondContact O-CG 3.34Å; R1005-E1009 PolarHBondContact O-N 3.36Å; R1005-E1009 VanDerWaalsContact O-N 3.13Å; E1009-L1087 HydrophobicContact CB-CD1 4.47Å; E1009-L1087 HydrophobicContact CG-CD1 3.92Å |
| 1010 | L | 84.3 | Confident | 87.5 | Confident | 57 Ų | 57 | 31.9 Ų | 31.9 | 30% | 0.298 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -77.7 | -36.1 | 177.8 | -63.3 | 175.1 | 0 | 0 | 0 | 111.7 | W956 R960 G1006 F1008 A1012 T1013 | W956-L1010 HydrophobicContact CE3-CD1 4.02Å; W956-L1010 HydrophobicContact CH2-CD1 4.33Å; W956-L1010 HydrophobicContact CZ3-CD1 3.4Å; W956-L1010 VanDerWaalsContact CZ3-CD1 3.4Å; R960-L1010 HydrophobicContact CB-CB 4.29Å; R960-L1010 HydrophobicContact CB-CD1 4.15Å; R960-L1010 HydrophobicContact CG-CB 4.05Å; R960-L1010 HydrophobicContact CG-CD1 3.83Å; G1006-L1010 WeakPolarHBondContact O-CD1 3.39Å; G1006-L1010 WeakPolarHBondContact O-CG 3.49Å; F1008-L1010 VanDerWaalsContact C-N 3.35Å; F1008-L1010 PolarHBondContact O-N 3.08Å; L1010-A1012 PolarHBondContact O-N 3.29Å; L1010-T1013 VanDerWaalsContact O-CB 3.3Å; L1010-T1013 WeakPolarHBondContact O-CB 3.46Å; L1010-T1013 PolarHBondContact O-N 3.29Å |
| 1011 | C | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.8 | -39.3 | 173.4 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | V959 L999 A1007 F1008 T1013 G1014 F1015 | V959-C1011 HydrophobicContact CG1-CB 4.37Å; L999-C1011 HydrophobicContact CD2-CB 4.11Å; L999-C1011 HydrophobicContact CG-CB 4.48Å; A1007-C1011 WeakPolarHBondContact O-CB 3.25Å; A1007-C1011 PolarHBondContact O-N 3.38Å; F1008-C1011 PolarHBondContact O-N 3.35Å; C1011-T1013 PolarHBondContact O-N 3.22Å; C1011-T1013 VanDerWaalsContact O-N 3.16Å; C1011-G1014 PolarHBondContact O-N 3.07Å; C1011-G1014 VanDerWaalsContact O-N 3.13Å; C1011-F1015 PolarHBondContact O-N 3.05Å |
| 1012 | A | 91.5 | Very high | 88 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.4 | -26.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | L999 F1008 L1010 F1015 T1016 L1087 | L999-A1012 HydrophobicContact CD2-CB 3.97Å; F1008-A1012 WeakPolarHBondContact O-CB 3.34Å; F1008-A1012 PolarHBondContact O-N 3Å; L1010-A1012 PolarHBondContact O-N 3.29Å; A1012-F1015 PolarHBondContact O-N 3.16Å; A1012-T1016 WeakPolarHBondContact O-CB 3.48Å; A1012-T1016 PolarHBondContact O-N 2.87Å; A1012-T1016 PolarHBondContact O-OG1 3.47Å; A1012-L1087 HydrophobicContact CB-CB 3.79Å; A1012-L1087 HydrophobicContact CB-CD1 4.33Å; A1012-L1087 HydrophobicContact CB-CG 4.47Å |
| 1013 | T | 88.4 | Confident | 88.2 | Confident | 72 Ų | 72 | 30.8 Ų | 30.8 | 44% | 0.442 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.1 | -47.4 | 176 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | L1010 C1011 T1016 | L1010-T1013 VanDerWaalsContact O-CB 3.3Å; L1010-T1013 WeakPolarHBondContact O-CB 3.46Å; L1010-T1013 PolarHBondContact O-N 3.29Å; C1011-T1013 PolarHBondContact O-N 3.22Å; C1011-T1013 VanDerWaalsContact O-N 3.16Å; T1013-T1016 PolarHBondContact O-N 3.37Å |
| 1014 | G | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S963 G967 F995 C1011 T1016 N1017 F1018 | S963-G1014 WeakPolarHBondContact O-CA 3.39Å; G967-G1014 WeakPolarHBondContact CA-O 3.36Å; F995-G1014 VanDerWaalsContact CZ-C 3.49Å; C1011-G1014 PolarHBondContact O-N 3.07Å; C1011-G1014 VanDerWaalsContact O-N 3.13Å; G1014-T1016 VanDerWaalsContact C-N 3.34Å; G1014-T1016 PolarHBondContact O-N 3.23Å; G1014-N1017 PolarHBondContact O-N 3.45Å; G1014-F1018 PolarHBondContact O-N 3.39Å |
| 1015 | F | 96 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.1 | -37.5 | -179.7 | -173 | -125.6 | 0 | 0 | 0 | 113 | F995 L999 C1011 A1012 N1017 F1018 C1019 W1035 F1088 A1091 I1092 | F995-F1015 HydrophobicContact CB-CD2 3.36Å; F995-F1015 HydrophobicContact CB-CE2 3.79Å; F995-F1015 HydrophobicContact CB-CG 4.16Å; F995-F1015 HydrophobicContact CD1-CB 3.55Å; F995-F1015 AromaticContact CD1-CD2 3.92Å; F995-F1015 HydrophobicContact CD1-CD2 3.92Å; F995-F1015 HydrophobicContact CD1-CG 4.12Å; F995-F1015 AromaticContact CD2-CD2 3.9Å; F995-F1015 HydrophobicContact CD2-CD2 3.9Å; F995-F1015 HydrophobicContact CE1-CB 3.86Å; F995-F1015 HydrophobicContact CG-CB 4.04Å; F995-F1015 AromaticContact CG-CD2 3.47Å; F995-F1015 HydrophobicContact CG-CD2 3.47Å; F995-F1015 VanDerWaalsContact CG-CD2 3.47Å; F995-F1015 HydrophobicContact CG-CE2 4.32Å; F995-F1015 HydrophobicContact CG-CG 4.14Å; L999-F1015 HydrophobicContact CD1-CB 3.63Å; L999-F1015 HydrophobicContact CD1-CD1 3.35Å; L999-F1015 HydrophobicContact CD1-CD2 4.31Å; L999-F1015 HydrophobicContact CD1-CE1 4.05Å; L999-F1015 HydrophobicContact CD1-CG 3.5Å; C1011-F1015 PolarHBondContact O-N 3.05Å; A1012-F1015 PolarHBondContact O-N 3.16Å; F1015-N1017 VanDerWaalsContact C-N 3.31Å; F1015-N1017 PolarHBondContact O-N 3.41Å; F1015-F1018 HydrophobicContact CD2-CD1 4.05Å; F1015-F1018 HydrophobicContact CE2-CD1 4.12Å; F1015-F1018 PolarHBondContact O-N 3.04Å; F1015-C1019 VanDerWaalsContact CE1-SG 3.56Å; F1015-C1019 VanDerWaalsContact CE2-SG 3.54Å; F1015-C1019 WeakPolarHBondContact CZ-SG 3.3Å; F1015-C1019 WeakPolarHBondContact O-CB 3.37Å; F1015-C1019 PolarHBondContact O-N 3.26Å; F1015-C1019 PolarHBondContact O-SG 3.44Å; F1015-W1035 HydrophobicContact CE2-CE3 4.36Å; F1015-W1035 AromaticContact CE2-CZ3 3.91Å; F1015-W1035 HydrophobicContact CE2-CZ3 3.91Å; F1015-W1035 HydrophobicContact CZ-CE3 4.01Å; F1015-W1035 HydrophobicContact CZ-CZ3 4.02Å; F1015-F1088 HydrophobicContact CD1-CD2 4.09Å; F1015-F1088 HydrophobicContact CD1-CE2 4.42Å; F1015-F1088 HydrophobicContact CD1-CG 4.47Å; F1015-F1088 HydrophobicContact CE1-CB 4.45Å; F1015-F1088 HydrophobicContact CE1-CD1 4.04Å; F1015-F1088 AromaticContact CE1-CD2 3.41Å; F1015-F1088 HydrophobicContact CE1-CD2 3.41Å; F1015-F1088 VanDerWaalsContact CE1-CD2 3.41Å; F1015-F1088 HydrophobicContact CE1-CE1 4.12Å; F1015-F1088 AromaticContact CE1-CE2 3.49Å; F1015-F1088 HydrophobicContact CE1-CE2 3.49Å; F1015-F1088 VanDerWaalsContact CE1-CE2 3.49Å; F1015-F1088 AromaticContact CE1-CG 3.7Å; F1015-F1088 HydrophobicContact CE1-CG 3.7Å; F1015-F1088 AromaticContact CE1-CZ 3.86Å; F1015-F1088 HydrophobicContact CE1-CZ 3.86Å; F1015-F1088 HydrophobicContact CE2-CE2 4.07Å; F1015-F1088 HydrophobicContact CE2-CZ 4.46Å; F1015-F1088 HydrophobicContact CZ-CD1 4.44Å; F1015-F1088 AromaticContact CZ-CD2 3.74Å; F1015-F1088 HydrophobicContact CZ-CD2 3.74Å; F1015-F1088 HydrophobicContact CZ-CE1 4.06Å; F1015-F1088 AromaticContact CZ-CE2 3.26Å; F1015-F1088 HydrophobicContact CZ-CE2 3.26Å; F1015-F1088 HydrophobicContact CZ-CG 4.31Å; F1015-F1088 AromaticContact CZ-CZ 3.46Å; F1015-F1088 HydrophobicContact CZ-CZ 3.46Å; F1015-F1088 VanDerWaalsContact CZ-CZ 3.46Å; F1015-A1091 HydrophobicContact CD1-CB 3.51Å; F1015-A1091 HydrophobicContact CE1-CB 4.07Å; F1015-A1091 HydrophobicContact CG-CB 4.43Å; F1015-I1092 HydrophobicContact CE1-CD1 4.43Å; F1015-I1092 HydrophobicContact CE1-CG1 4.15Å; F1015-I1092 HydrophobicContact CZ-CG1 4.41Å |
| 1016 | T | 93.8 | Very high | 88.9 | Confident | 35 Ų | 35 | 28 Ų | 28 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 177 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | A1012 T1013 G1014 T1020 A1091 C1094 | A1012-T1016 WeakPolarHBondContact O-CB 3.48Å; A1012-T1016 PolarHBondContact O-N 2.87Å; A1012-T1016 PolarHBondContact O-OG1 3.47Å; T1013-T1016 PolarHBondContact O-N 3.37Å; G1014-T1016 VanDerWaalsContact C-N 3.34Å; G1014-T1016 PolarHBondContact O-N 3.23Å; T1016-T1020 WeakPolarHBondContact O-CB 3.42Å; T1016-T1020 PolarHBondContact O-N 2.87Å; T1016-T1020 PolarHBondContact O-OG1 3.02Å; T1016-A1091 VanDerWaalsContact OG1-CB 3.25Å; T1016-A1091 WeakPolarHBondContact OG1-CB 3.26Å; T1016-C1094 HydrophobicContact CG2-CB 4.22Å |
| 1017 | N | 90.5 | Very high | 89.3 | Confident | 68 Ų | 68 | 30.5 Ų | 30.5 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -69.3 | -39.1 | 176.9 | -76.2 | -7.5 | 0 | 0 | 0 | 112 | G967 I968 G1014 F1015 T1020 A1021 | G967-N1017 WeakPolarHBondContact O-CB 3.37Å; I968-N1017 HydrophobicContact CG1-CB 4.32Å; I968-N1017 WeakPolarHBondContact CG1-ND2 3.42Å; G1014-N1017 PolarHBondContact O-N 3.45Å; F1015-N1017 VanDerWaalsContact C-N 3.31Å; F1015-N1017 PolarHBondContact O-N 3.41Å; N1017-T1020 PolarHBondContact O-N 3.1Å; N1017-A1021 PolarHBondContact O-N 3.25Å |
| 1018 | F | 95 | Very high | 89.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -50.5 | 173.3 | 179.5 | -123.8 | 0 | 0 | 0 | 112 | G967 V971 L975 I988 I991 A992 F995 G1014 F1015 T1020 A1021 L1022 W1035 | G967-F1018 PolarHBondContact O-N 3.11Å; V971-F1018 HydrophobicContact CG2-CB 4.37Å; V971-F1018 HydrophobicContact CG2-CD2 3.63Å; V971-F1018 HydrophobicContact CG2-CE2 4.46Å; V971-F1018 HydrophobicContact CG2-CG 4.47Å; L975-F1018 HydrophobicContact CD1-CD2 4.42Å; L975-F1018 HydrophobicContact CD1-CE2 4.28Å; I988-F1018 HydrophobicContact CG2-CE2 4.17Å; I988-F1018 HydrophobicContact CG2-CZ 4.04Å; I991-F1018 HydrophobicContact CB-CE2 4.26Å; I991-F1018 HydrophobicContact CB-CZ 4.23Å; I991-F1018 HydrophobicContact CG2-CD1 4.27Å; I991-F1018 HydrophobicContact CG2-CD2 3.85Å; I991-F1018 HydrophobicContact CG2-CE1 4.1Å; I991-F1018 HydrophobicContact CG2-CE2 3.67Å; I991-F1018 HydrophobicContact CG2-CG 4.14Å; I991-F1018 HydrophobicContact CG2-CZ 3.79Å; A992-F1018 HydrophobicContact CB-CE1 3.95Å; A992-F1018 HydrophobicContact CB-CZ 4.12Å; F995-F1018 HydrophobicContact CD2-CB 4.27Å; F995-F1018 AromaticContact CD2-CD1 3.72Å; F995-F1018 HydrophobicContact CD2-CD1 3.72Å; F995-F1018 HydrophobicContact CD2-CE1 4.31Å; F995-F1018 HydrophobicContact CD2-CG 4.13Å; F995-F1018 HydrophobicContact CE2-CB 3.85Å; F995-F1018 HydrophobicContact CE2-CD1 4.11Å; F995-F1018 HydrophobicContact CE2-CG 4.03Å; G1014-F1018 PolarHBondContact O-N 3.39Å; F1015-F1018 HydrophobicContact CD2-CD1 4.05Å; F1015-F1018 HydrophobicContact CE2-CD1 4.12Å; F1015-F1018 PolarHBondContact O-N 3.04Å; F1018-T1020 VanDerWaalsContact C-N 3.28Å; F1018-T1020 PolarHBondContact O-N 2.91Å; F1018-A1021 PolarHBondContact O-N 3.47Å; F1018-A1021 VanDerWaalsContact O-N 3.16Å; F1018-L1022 HydrophobicContact CD1-CD1 4.05Å; F1018-L1022 HydrophobicContact CD2-CG 4.32Å; F1018-L1022 HydrophobicContact CE1-CD1 3.6Å; F1018-L1022 HydrophobicContact CE1-CG 4.35Å; F1018-L1022 HydrophobicContact CE2-CD1 4.15Å; F1018-L1022 HydrophobicContact CE2-CD2 3.94Å; F1018-L1022 HydrophobicContact CE2-CG 4.04Å; F1018-L1022 HydrophobicContact CZ-CD1 3.67Å; F1018-L1022 HydrophobicContact CZ-CD2 4.04Å; F1018-L1022 HydrophobicContact CZ-CG 4.07Å; F1018-L1022 WeakPolarHBondContact O-CG 3.33Å; F1018-L1022 PolarHBondContact O-N 3.45Å; F1018-W1035 HydrophobicContact CE1-CH2 4.02Å; F1018-W1035 HydrophobicContact CE1-CZ3 4.38Å |
| 1019 | C | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -40.6 | 174.6 | -71.4 | 0 | 0 | 0 | 0 | 112 | F1015 A1021 L1022 V1023 A1095 | F1015-C1019 VanDerWaalsContact CE1-SG 3.56Å; F1015-C1019 VanDerWaalsContact CE2-SG 3.54Å; F1015-C1019 WeakPolarHBondContact CZ-SG 3.3Å; F1015-C1019 WeakPolarHBondContact O-CB 3.37Å; F1015-C1019 PolarHBondContact O-N 3.26Å; F1015-C1019 PolarHBondContact O-SG 3.44Å; C1019-A1021 VanDerWaalsContact C-N 3.3Å; C1019-A1021 PolarHBondContact O-N 3.08Å; C1019-L1022 PolarHBondContact O-N 3.05Å; C1019-V1023 WeakPolarHBondContact O-CB 3.44Å; C1019-V1023 VanDerWaalsContact O-CG2 3.27Å; C1019-V1023 WeakPolarHBondContact O-CG2 3.48Å; C1019-V1023 PolarHBondContact O-N 3.14Å; C1019-A1095 HydrophobicContact CB-CB 3.67Å |
| 1020 | T | 91.5 | Very high | 89.8 | Confident | 32 Ų | 32 | 31.6 Ų | 31.6 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | T1016 N1017 F1018 N1024 | T1016-T1020 WeakPolarHBondContact O-CB 3.42Å; T1016-T1020 PolarHBondContact O-N 2.87Å; T1016-T1020 PolarHBondContact O-OG1 3.02Å; N1017-T1020 PolarHBondContact O-N 3.1Å; F1018-T1020 VanDerWaalsContact C-N 3.28Å; F1018-T1020 PolarHBondContact O-N 2.91Å; T1020-N1024 WeakPolarHBondContact O-CB 3.39Å; T1020-N1024 PolarHBondContact O-N 3.26Å; T1020-N1024 PolarHBondContact O-ND2 3.31Å |
| 1021 | A | 89.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V971 L975 N1017 F1018 C1019 N1024 H1025 | V971-A1021 HydrophobicContact CG1-CB 3.23Å; L975-A1021 HydrophobicContact CB-CB 3.91Å; L975-A1021 HydrophobicContact CD1-CB 3.76Å; N1017-A1021 PolarHBondContact O-N 3.25Å; F1018-A1021 PolarHBondContact O-N 3.47Å; F1018-A1021 VanDerWaalsContact O-N 3.16Å; C1019-A1021 VanDerWaalsContact C-N 3.3Å; C1019-A1021 PolarHBondContact O-N 3.08Å; A1021-N1024 PolarHBondContact O-N 3.04Å; A1021-H1025 WeakPolarHBondContact O-CB 3.36Å; A1021-H1025 PolarHBondContact O-N 3.33Å; A1021-H1025 VanDerWaalsContact O-N 3.11Å |
| 1022 | L | 91.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.2 | -49 | 177.5 | -65.7 | 179.6 | 0 | 0 | 0 | 112 | L975 I988 F1018 C1019 N1024 H1025 Y1028 F1029 P1032 W1035 | L975-L1022 HydrophobicContact CD1-CD2 4.03Å; I988-L1022 HydrophobicContact CG2-CD2 3.87Å; F1018-L1022 HydrophobicContact CD1-CD1 4.05Å; F1018-L1022 HydrophobicContact CD2-CG 4.32Å; F1018-L1022 HydrophobicContact CE1-CD1 3.6Å; F1018-L1022 HydrophobicContact CE1-CG 4.35Å; F1018-L1022 HydrophobicContact CE2-CD1 4.15Å; F1018-L1022 HydrophobicContact CE2-CD2 3.94Å; F1018-L1022 HydrophobicContact CE2-CG 4.04Å; F1018-L1022 HydrophobicContact CZ-CD1 3.67Å; F1018-L1022 HydrophobicContact CZ-CD2 4.04Å; F1018-L1022 HydrophobicContact CZ-CG 4.07Å; F1018-L1022 WeakPolarHBondContact O-CG 3.33Å; F1018-L1022 PolarHBondContact O-N 3.45Å; C1019-L1022 PolarHBondContact O-N 3.05Å; L1022-N1024 PolarHBondContact O-N 3.15Å; L1022-H1025 WeakPolarHBondContact O-CB 3.32Å; L1022-H1025 PolarHBondContact O-N 2.96Å; L1022-Y1028 HydrophobicContact CD2-CD2 4.39Å; L1022-Y1028 HydrophobicContact CD2-CG 4.1Å; L1022-Y1028 CarbonylContact O-C 3.46Å; L1022-F1029 WeakPolarHBondContact O-CA 3.03Å; L1022-F1029 PolarHBondContact O-N 2.92Å; L1022-P1032 HydrophobicContact CB-CG 3.82Å; L1022-P1032 HydrophobicContact CD1-CG 4.02Å; L1022-W1035 HydrophobicContact CD1-CH2 3.88Å; L1022-W1035 HydrophobicContact CD1-CZ3 3.96Å |
| 1023 | V | 89 | Confident | 90.2 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.036 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.2 | -30.8 | -179.7 | 170.4 | 0 | 0 | 0 | 0 | 112.3 | C1019 F1029 P1032 A1095 R1099 | C1019-V1023 WeakPolarHBondContact O-CB 3.44Å; C1019-V1023 VanDerWaalsContact O-CG2 3.27Å; C1019-V1023 WeakPolarHBondContact O-CG2 3.48Å; C1019-V1023 PolarHBondContact O-N 3.14Å; V1023-F1029 WeakPolarHBondContact O-CB 3.08Å; V1023-P1032 HydrophobicContact CG2-CB 4.09Å; V1023-P1032 HydrophobicContact CG2-CG 3.89Å; V1023-A1095 HydrophobicContact CG2-CB 4.26Å; V1023-R1099 HydrophobicContact CG1-CB 4.05Å; V1023-R1099 HydrophobicContact CG1-CG 3.97Å |
| 1024 | N | 86 | Confident | 90.3 | Very high | 88 Ų | 88 | 28 Ų | 28 | 47% | 0.471 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -90.5 | -2.7 | 177.7 | -69.1 | -49 | 0 | 0 | 0 | 113.4 | T1020 A1021 L1022 | T1020-N1024 WeakPolarHBondContact O-CB 3.39Å; T1020-N1024 PolarHBondContact O-N 3.26Å; T1020-N1024 PolarHBondContact O-ND2 3.31Å; A1021-N1024 PolarHBondContact O-N 3.04Å; L1022-N1024 PolarHBondContact O-N 3.15Å |
| 1025 | H | 86.4 | Confident | 90.3 | Very high | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.069 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -91.6 | 137.1 | -179.9 | -167.1 | -88.8 | 0 | 0 | 0 | 112 | A1021 L1022 V1027 Y1028 F1029 | A1021-H1025 WeakPolarHBondContact O-CB 3.36Å; A1021-H1025 PolarHBondContact O-N 3.33Å; A1021-H1025 VanDerWaalsContact O-N 3.11Å; L1022-H1025 WeakPolarHBondContact O-CB 3.32Å; L1022-H1025 PolarHBondContact O-N 2.96Å; H1025-V1027 VanDerWaalsContact C-N 3.28Å; H1025-V1027 PolarHBondContact ND1-N 3.42Å; H1025-V1027 VanDerWaalsContact ND1-N 3.18Å; H1025-V1027 PolarHBondContact O-N 3.18Å; H1025-Y1028 HydrophobicContact CB-CD2 4.29Å; H1025-Y1028 AromaticContact CE1-CD2 3.6Å; H1025-Y1028 AromaticContact CE1-CE2 3.64Å; H1025-Y1028 AromaticContact CG-CD2 3.72Å; H1025-Y1028 AromaticContact ND1-CD2 3.17Å; H1025-Y1028 WeakPolarHBondContact ND1-CD2 3.43Å; H1025-Y1028 AromaticContact ND1-CE2 3.72Å; H1025-Y1028 PolarHBondContact O-N 3.46Å; H1025-F1029 VanDerWaalsContact O-CB 3.31Å; H1025-F1029 WeakPolarHBondContact O-CB 3.39Å; H1025-F1029 PolarHBondContact O-N 3.18Å |
| 1026 | S | 83.6 | Confident | 90.2 | Very high | 97 Ų | 97 | 28 Ų | 28 | 68% | 0.678 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -31.7 | -175.1 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | F1029 | S1026-F1029 VanDerWaalsContact O-CD1 3.23Å; S1026-F1029 WeakPolarHBondContact O-CD1 3.41Å; S1026-F1029 VanDerWaalsContact O-CE1 3.29Å; S1026-F1029 WeakPolarHBondContact O-CE1 3.44Å |
| 1027 | V | 86.3 | Confident | 90 | Very high | 72 Ų | 72 | 27.5 Ų | 27.5 | 44% | 0.436 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -34.8 | -177 | -177.9 | 0 | 0 | 0 | 0 | 113.1 | H1025 I1058 | H1025-V1027 VanDerWaalsContact C-N 3.28Å; H1025-V1027 PolarHBondContact ND1-N 3.42Å; H1025-V1027 VanDerWaalsContact ND1-N 3.18Å; H1025-V1027 PolarHBondContact O-N 3.18Å; V1027-I1058 HydrophobicContact CG1-CD1 4.16Å; V1027-I1058 HydrophobicContact CG1-CG2 3.96Å |
| 1028 | Y | 89.5 | Confident | 89.8 | Confident | 12 Ų | 12 | 27 Ų | 27 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -1.5 | -167.6 | -58.8 | -66.1 | 0 | 0 | 0 | 114.2 | L975 P985 I988 L1022 H1025 T1030 I1031 I1058 F1063 | L975-Y1028 HydrophobicContact CD2-CD2 4.18Å; L975-Y1028 HydrophobicContact CD2-CE2 4.33Å; P985-Y1028 WeakPolarHBondContact CG-OH 3.08Å; I988-Y1028 HydrophobicContact CD1-CD2 4Å; I988-Y1028 HydrophobicContact CD1-CE1 4.28Å; I988-Y1028 HydrophobicContact CD1-CE2 3.24Å; I988-Y1028 VanDerWaalsContact CD1-CZ 3.42Å; I988-Y1028 WeakPolarHBondContact CD1-OH 3.44Å; L1022-Y1028 HydrophobicContact CD2-CD2 4.39Å; L1022-Y1028 HydrophobicContact CD2-CG 4.1Å; L1022-Y1028 CarbonylContact O-C 3.46Å; H1025-Y1028 HydrophobicContact CB-CD2 4.29Å; H1025-Y1028 AromaticContact CE1-CD2 3.6Å; H1025-Y1028 AromaticContact CE1-CE2 3.64Å; H1025-Y1028 AromaticContact CG-CD2 3.72Å; H1025-Y1028 AromaticContact ND1-CD2 3.17Å; H1025-Y1028 WeakPolarHBondContact ND1-CD2 3.43Å; H1025-Y1028 AromaticContact ND1-CE2 3.72Å; H1025-Y1028 PolarHBondContact O-N 3.46Å; Y1028-T1030 PolarHBondContact O-N 2.85Å; Y1028-T1030 VanDerWaalsContact O-N 3.08Å; Y1028-I1031 HydrophobicContact CD1-CD1 3.65Å; Y1028-I1031 HydrophobicContact CG-CD1 4.34Å; Y1028-I1031 WeakPolarHBondContact O-CB 3.47Å; Y1028-I1031 PolarHBondContact O-N 3.13Å; Y1028-I1031 VanDerWaalsContact O-N 3.09Å; Y1028-I1058 HydrophobicContact CD1-CD1 3.4Å; Y1028-I1058 HydrophobicContact CE1-CD1 3.61Å; Y1028-I1058 HydrophobicContact CE1-CG2 4.07Å; Y1028-F1063 HydrophobicContact CE1-CE2 4.39Å; Y1028-F1063 HydrophobicContact CE1-CZ 4.13Å |
| 1029 | F | 87.8 | Confident | 89.5 | Confident | 86 Ų | 86 | 27.7 Ų | 27.7 | 38% | 0.377 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.3 | -170.3 | 69.5 | -80.1 | 0 | 0 | 0 | 115.3 | L1022 V1023 H1025 S1026 | L1022-F1029 WeakPolarHBondContact O-CA 3.03Å; L1022-F1029 PolarHBondContact O-N 2.92Å; V1023-F1029 WeakPolarHBondContact O-CB 3.08Å; H1025-F1029 VanDerWaalsContact O-CB 3.31Å; H1025-F1029 WeakPolarHBondContact O-CB 3.39Å; H1025-F1029 PolarHBondContact O-N 3.18Å; S1026-F1029 VanDerWaalsContact O-CD1 3.23Å; S1026-F1029 WeakPolarHBondContact O-CD1 3.41Å; S1026-F1029 VanDerWaalsContact O-CE1 3.29Å; S1026-F1029 WeakPolarHBondContact O-CE1 3.44Å |
| 1030 | T | 87.5 | Confident | 89.1 | Confident | 12 Ų | 12 | 27.7 Ų | 27.7 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -25.2 | -179.9 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | Y1028 I1033 H1034 | Y1028-T1030 PolarHBondContact O-N 2.85Å; Y1028-T1030 VanDerWaalsContact O-N 3.08Å; T1030-I1033 WeakPolarHBondContact O-CB 3.43Å; T1030-I1033 PolarHBondContact O-N 3.04Å; T1030-I1033 VanDerWaalsContact O-N 3.11Å; T1030-H1034 PolarHBondContact O-CD2 2.94Å; T1030-H1034 PolarHBondContact O-N 2.92Å |
| 1031 | I | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.1 | -49.5 | -171.5 | -66.4 | 171.6 | 0 | 0 | 0 | 112.6 | Y1028 I1033 H1034 W1035 I1058 F1063 | Y1028-I1031 HydrophobicContact CD1-CD1 3.65Å; Y1028-I1031 HydrophobicContact CG-CD1 4.34Å; Y1028-I1031 WeakPolarHBondContact O-CB 3.47Å; Y1028-I1031 PolarHBondContact O-N 3.13Å; Y1028-I1031 VanDerWaalsContact O-N 3.09Å; I1031-I1033 PolarHBondContact O-N 3.41Å; I1031-H1034 WeakPolarHBondContact O-CA 3.44Å; I1031-H1034 WeakPolarHBondContact O-CB 3.45Å; I1031-H1034 PolarHBondContact O-N 3.26Å; I1031-W1035 HydrophobicContact CG2-CD2 3.83Å; I1031-W1035 HydrophobicContact CG2-CE3 4.2Å; I1031-W1035 HydrophobicContact CG2-CH2 3.57Å; I1031-W1035 HydrophobicContact CG2-CZ2 3.14Å; I1031-W1035 HydrophobicContact CG2-CZ3 4.08Å; I1031-W1035 PolarHBondContact O-N 3.44Å; I1031-I1058 HydrophobicContact CD1-CD1 3.77Å; I1031-I1058 HydrophobicContact CG1-CD1 4.43Å; I1031-F1063 HydrophobicContact CD1-CB 3.73Å; I1031-F1063 HydrophobicContact CD1-CD1 3.68Å; I1031-F1063 HydrophobicContact CD1-CD2 4.07Å; I1031-F1063 HydrophobicContact CD1-CE1 4.22Å; I1031-F1063 HydrophobicContact CD1-CG 3.57Å; I1031-F1063 HydrophobicContact CG1-CB 4.06Å; I1031-F1063 HydrophobicContact CG1-CG 4.43Å; I1031-F1063 HydrophobicContact CG2-CB 4.12Å |
| 1032 | P | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -33.8 | 179.5 | -27.6 | 39.4 | 0 | 0 | 0 | 112.8 | L1022 V1023 W1035 L1036 I1092 | L1022-P1032 HydrophobicContact CB-CG 3.82Å; L1022-P1032 HydrophobicContact CD1-CG 4.02Å; V1023-P1032 HydrophobicContact CG2-CB 4.09Å; V1023-P1032 HydrophobicContact CG2-CG 3.89Å; P1032-W1035 PolarHBondContact O-N 3.11Å; P1032-L1036 WeakPolarHBondContact O-CB 3.35Å; P1032-L1036 PolarHBondContact O-N 3.49Å; P1032-I1092 HydrophobicContact CB-CG1 4.23Å; P1032-I1092 HydrophobicContact CB-CG2 3.88Å |
| 1033 | I | 89.7 | Confident | 86.3 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69 | -38.2 | 176.2 | -65.3 | 161.4 | 0 | 0 | 0 | 110.6 | T1030 I1031 L1036 N1037 | T1030-I1033 WeakPolarHBondContact O-CB 3.43Å; T1030-I1033 PolarHBondContact O-N 3.04Å; T1030-I1033 VanDerWaalsContact O-N 3.11Å; I1031-I1033 PolarHBondContact O-N 3.41Å; I1033-L1036 WeakPolarHBondContact O-CB 3.22Å; I1033-L1036 PolarHBondContact O-N 3.13Å; I1033-N1037 WeakPolarHBondContact O-CB 3.48Å; I1033-N1037 PolarHBondContact O-N 3.3Å; I1033-N1037 PolarHBondContact O-ND2 3.37Å |
| 1034 | H | 90.1 | Very high | 84.6 | Confident | 50 Ų | 50 | 38.3 Ų | 38.3 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 172.9 | -74.6 | -74.1 | 0 | 0 | 0 | 112.3 | T1030 I1031 N1037 A1038 T1056 | T1030-H1034 PolarHBondContact O-CD2 2.94Å; T1030-H1034 PolarHBondContact O-N 2.92Å; I1031-H1034 WeakPolarHBondContact O-CA 3.44Å; I1031-H1034 WeakPolarHBondContact O-CB 3.45Å; I1031-H1034 PolarHBondContact O-N 3.26Å; H1034-N1037 PolarHBondContact O-N 2.92Å; H1034-A1038 WeakPolarHBondContact O-CB 3.48Å; H1034-A1038 PolarHBondContact O-N 2.97Å; H1034-T1056 HydrophobicContact CB-CG2 3.99Å |
| 1035 | W | 92.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.2 | -61.5 | -25.3 | 0 | 0 | 0 | 112.6 | A992 F1015 F1018 L1022 I1031 P1032 N1037 A1038 I1039 F1063 L1065 F1088 I1092 | A992-W1035 HydrophobicContact CB-CH2 3.63Å; A992-W1035 HydrophobicContact CB-CZ2 3.69Å; F1015-W1035 HydrophobicContact CE2-CE3 4.36Å; F1015-W1035 AromaticContact CE2-CZ3 3.91Å; F1015-W1035 HydrophobicContact CE2-CZ3 3.91Å; F1015-W1035 HydrophobicContact CZ-CE3 4.01Å; F1015-W1035 HydrophobicContact CZ-CZ3 4.02Å; F1018-W1035 HydrophobicContact CE1-CH2 4.02Å; F1018-W1035 HydrophobicContact CE1-CZ3 4.38Å; L1022-W1035 HydrophobicContact CD1-CH2 3.88Å; L1022-W1035 HydrophobicContact CD1-CZ3 3.96Å; I1031-W1035 HydrophobicContact CG2-CD2 3.83Å; I1031-W1035 HydrophobicContact CG2-CE3 4.2Å; I1031-W1035 HydrophobicContact CG2-CH2 3.57Å; I1031-W1035 HydrophobicContact CG2-CZ2 3.14Å; I1031-W1035 HydrophobicContact CG2-CZ3 4.08Å; I1031-W1035 PolarHBondContact O-N 3.44Å; P1032-W1035 PolarHBondContact O-N 3.11Å; W1035-N1037 VanDerWaalsContact C-N 3.34Å; W1035-A1038 PolarHBondContact O-N 3.47Å; W1035-I1039 PolarHBondContact O-N 2.79Å; W1035-F1063 PolarHBondContact NE1-O 3.29Å; W1035-L1065 HydrophobicContact CB-CD1 4.37Å; W1035-L1065 HydrophobicContact CG-CD1 4.18Å; W1035-F1088 HydrophobicContact CB-CE1 3.87Å; W1035-F1088 HydrophobicContact CB-CZ 4.03Å; W1035-F1088 HydrophobicContact CD2-CZ 4.38Å; W1035-F1088 HydrophobicContact CE3-CZ 4.19Å; W1035-F1088 HydrophobicContact CG-CZ 4.38Å; W1035-I1092 HydrophobicContact CB-CD1 4.2Å |
| 1036 | L | 92.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.2 | -49.9 | 173.7 | 178.8 | 64.6 | 0 | 0 | 0 | 110.6 | P1032 I1033 A1038 I1039 T1040 V1089 I1092 L1093 T1107 T1111 | P1032-L1036 WeakPolarHBondContact O-CB 3.35Å; P1032-L1036 PolarHBondContact O-N 3.49Å; I1033-L1036 WeakPolarHBondContact O-CB 3.22Å; I1033-L1036 PolarHBondContact O-N 3.13Å; L1036-A1038 VanDerWaalsContact C-N 3.34Å; L1036-A1038 PolarHBondContact O-N 3.01Å; L1036-I1039 PolarHBondContact O-N 3.33Å; L1036-T1040 HydrophobicContact CD1-CG2 4.13Å; L1036-T1040 WeakPolarHBondContact O-CG2 3.31Å; L1036-T1040 PolarHBondContact O-N 3.44Å; L1036-T1040 PolarHBondContact O-OG1 3.31Å; L1036-V1089 HydrophobicContact CD1-CB 4.32Å; L1036-V1089 HydrophobicContact CD1-CG1 3.73Å; L1036-V1089 HydrophobicContact CD1-CG2 4.06Å; L1036-I1092 HydrophobicContact CB-CD1 4.29Å; L1036-I1092 HydrophobicContact CB-CG2 4.17Å; L1036-I1092 HydrophobicContact CD2-CG2 4.33Å; L1036-L1093 HydrophobicContact CD2-CD2 3.96Å; L1036-T1107 HydrophobicContact CD2-CG2 3.7Å; L1036-T1111 HydrophobicContact CD1-CG2 4.38Å |
| 1037 | N | 89.6 | Confident | 78.6 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -39.3 | 179.5 | -74.2 | -12.7 | 0 | 0 | 0 | 112.7 | I1033 H1034 W1035 G1041 Q1042 L1044 | I1033-N1037 WeakPolarHBondContact O-CB 3.48Å; I1033-N1037 PolarHBondContact O-N 3.3Å; I1033-N1037 PolarHBondContact O-ND2 3.37Å; H1034-N1037 PolarHBondContact O-N 2.92Å; W1035-N1037 VanDerWaalsContact C-N 3.34Å; N1037-G1041 CarbonylContact O-C 3.49Å; N1037-G1041 WeakPolarHBondContact O-CA 3.43Å; N1037-G1041 PolarHBondContact O-N 3.01Å; N1037-Q1042 WeakPolarHBondContact CB-O 3.47Å; N1037-Q1042 VanDerWaalsContact CG-O 3.22Å; N1037-Q1042 PolarHBondContact O-N 2.92Å; N1037-Q1042 VanDerWaalsContact O-N 3.12Å; N1037-Q1042 PolarHBondContact OD1-O 3.18Å; N1037-L1044 WeakPolarHBondContact OD1-CD1 3.46Å |
| 1038 | A | 87.4 | Confident | 76.4 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 49% | 0.488 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1034 W1035 L1036 L1065 | H1034-A1038 WeakPolarHBondContact O-CB 3.48Å; H1034-A1038 PolarHBondContact O-N 2.97Å; W1035-A1038 PolarHBondContact O-N 3.47Å; L1036-A1038 VanDerWaalsContact C-N 3.34Å; L1036-A1038 PolarHBondContact O-N 3.01Å; A1038-L1065 HydrophobicContact CB-CB 4.1Å; A1038-L1065 HydrophobicContact CB-CD2 3.9Å |
| 1039 | I | 87.9 | Confident | 74.2 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70 | -44.3 | 179.7 | -72.8 | 175.5 | 0 | 0 | 0 | 111.9 | L1000 W1035 L1036 L1065 Y1085 F1088 V1089 I1143 | L1000-I1039 HydrophobicContact CD1-CD1 4.39Å; L1000-I1039 HydrophobicContact CD2-CD1 4.04Å; W1035-I1039 PolarHBondContact O-N 2.79Å; L1036-I1039 PolarHBondContact O-N 3.33Å; I1039-L1065 HydrophobicContact CD1-CD2 4.22Å; I1039-L1065 HydrophobicContact CG1-CD2 3.64Å; I1039-Y1085 HydrophobicContact CD1-CD1 4.23Å; I1039-Y1085 HydrophobicContact CG1-CD1 4.35Å; I1039-Y1085 HydrophobicContact CG1-CE1 4.47Å; I1039-Y1085 HydrophobicContact CG2-CD1 3.83Å; I1039-F1088 HydrophobicContact CD1-CD1 3.23Å; I1039-F1088 HydrophobicContact CD1-CE1 3.36Å; I1039-F1088 HydrophobicContact CD1-CG 3.98Å; I1039-F1088 HydrophobicContact CD1-CZ 4.22Å; I1039-V1089 HydrophobicContact CG2-CG2 4Å; I1039-I1143 HydrophobicContact CG2-CD1 3.71Å |
| 1040 | T | 86.9 | Confident | 72 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.7 | -34.1 | 178.3 | 60.4 | 0 | 0 | 0 | 0 | 109.8 | L1036 Q1042 T1111 W1114 L1115 H1140 | L1036-T1040 HydrophobicContact CD1-CG2 4.13Å; L1036-T1040 WeakPolarHBondContact O-CG2 3.31Å; L1036-T1040 PolarHBondContact O-N 3.44Å; L1036-T1040 PolarHBondContact O-OG1 3.31Å; T1040-Q1042 WeakPolarHBondContact OG1-CB 3.43Å; T1040-Q1042 PolarHBondContact OG1-N 3.28Å; T1040-T1111 HydrophobicContact CG2-CG2 4.21Å; T1040-W1114 WeakPolarHBondContact O-CH2 3.08Å; T1040-W1114 WeakPolarHBondContact O-CZ3 3.5Å; T1040-L1115 HydrophobicContact CG2-CD2 4.27Å; T1040-H1140 PolarHBondContact O-NE2 3.3Å; T1040-H1140 VanDerWaalsContact O-NE2 3.07Å |
| 1041 | G | 81.3 | Confident | 69.6 | Low | 36 Ų | 36 | 61.3 Ų | 61.3 | 37% | 0.371 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 31.8 | -168 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1037 W1114 | N1037-G1041 CarbonylContact O-C 3.49Å; N1037-G1041 WeakPolarHBondContact O-CA 3.43Å; N1037-G1041 PolarHBondContact O-N 3.01Å; G1041-W1114 WeakPolarHBondContact O-CZ2 3.37Å |
| 1042 | Q | 75.1 | Confident | 66.9 | Low | 18 Ų | 18 | 68.6 Ų | 68.6 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | trans | -100.6 | 122 | 178.5 | -176.9 | 171.3 | 16.9 | 0 | 0 | 109.4 | N1037 T1040 L1044 W1114 | N1037-Q1042 WeakPolarHBondContact CB-O 3.47Å; N1037-Q1042 VanDerWaalsContact CG-O 3.22Å; N1037-Q1042 PolarHBondContact O-N 2.92Å; N1037-Q1042 VanDerWaalsContact O-N 3.12Å; N1037-Q1042 PolarHBondContact OD1-O 3.18Å; T1040-Q1042 WeakPolarHBondContact OG1-CB 3.43Å; T1040-Q1042 PolarHBondContact OG1-N 3.28Å; Q1042-L1044 VanDerWaalsContact C-N 3.34Å; Q1042-L1044 VanDerWaalsContact CD-CD1 3.48Å; Q1042-L1044 HydrophobicContact CG-CD1 3.99Å; Q1042-L1044 HydrophobicContact CG-CG 3.9Å; Q1042-L1044 PolarHBondContact O-N 3.11Å; Q1042-L1044 VanDerWaalsContact O-N 3.13Å; Q1042-W1114 HydrophobicContact CB-CD2 3.84Å; Q1042-W1114 HydrophobicContact CB-CE3 4.39Å; Q1042-W1114 HydrophobicContact CB-CG 4.02Å; Q1042-W1114 HydrophobicContact CB-CZ2 4.47Å; Q1042-W1114 HydrophobicContact CG-CB 4.39Å; Q1042-W1114 HydrophobicContact CG-CD2 4.16Å; Q1042-W1114 HydrophobicContact CG-CG 3.78Å | ||
| 1043 | N | 57.5 | Low | 64.5 | Low | 169 Ų | 169 | 75.7 Ų | 75.7 | 90% | 0.904 | 42% | 0.418 | S | S | * | . | trans | -82.3 | 81.6 | 165.7 | -72.9 | -10.4 | 0 | 0 | 0 | 108.5 | S1045 | N1043-S1045 PolarHBondContact O-N 3.1Š| ||
| 1044 | L | 52.4 | Low | 62.7 | Low | 41 Ų | 41 | 77.8 Ų | 77.8 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | trans | -70.9 | 105.6 | 168.5 | -94.9 | 145.1 | 0 | 0 | 0 | 108 | N1037 Q1042 L1046 N1110 | N1037-L1044 WeakPolarHBondContact OD1-CD1 3.46Å; Q1042-L1044 VanDerWaalsContact C-N 3.34Å; Q1042-L1044 VanDerWaalsContact CD-CD1 3.48Å; Q1042-L1044 HydrophobicContact CG-CD1 3.99Å; Q1042-L1044 HydrophobicContact CG-CG 3.9Å; Q1042-L1044 PolarHBondContact O-N 3.11Å; Q1042-L1044 VanDerWaalsContact O-N 3.13Å; L1044-L1046 VanDerWaalsContact C-N 3.35Å; L1044-L1046 PolarHBondContact O-N 3.42Å; L1044-N1110 HydrophobicContact CD2-CB 4Å | ||
| 1045 | S | 43.9 | Very low | 61.6 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 58% | 0.58 | 44% | 0.443 | S | S | * | . | trans | -67.3 | 98.1 | 163.5 | -169.5 | 0 | 0 | 0 | 0 | 106.8 | N1043 N1047 | N1043-S1045 PolarHBondContact O-N 3.1Å; S1045-N1047 PolarHBondContact O-N 3.46Å | ||
| 1046 | L | 45.2 | Very low | 60.8 | Low | 76 Ų | 76 | 79.7 Ų | 79.7 | 40% | 0.398 | 45% | 0.452 | S | S | . | . | trans | -54.4 | 121.6 | 161.8 | -83.6 | 163.9 | 0 | 0 | 0 | 105.6 | L1044 E1048 | L1044-L1046 VanDerWaalsContact C-N 3.35Å; L1044-L1046 PolarHBondContact O-N 3.42Å; L1046-E1048 PolarHBondContact O-N 2.9Å; L1046-E1048 VanDerWaalsContact O-N 3.16Å | ||
| 1047 | N | 41.9 | Very low | 60.3 | Low | 144 Ų | 144 | 82.9 Ų | 82.9 | 77% | 0.77 | 47% | 0.471 | S | S | * | . | trans | -26.9 | 118.2 | -175.4 | -77.2 | -26.4 | 0 | 0 | 0 | 112.1 | S1045 K1049 S1050 | S1045-N1047 PolarHBondContact O-N 3.46Å; N1047-K1049 PolarHBondContact O-N 2.94Å; N1047-S1050 PolarHBondContact O-N 2.98Å; N1047-S1050 VanDerWaalsContact O-N 3.16Å | ||
| 1048 | E | 39.5 | Very low | 60 | Low | 177 Ų | 177 | 82.7 Ų | 82.7 | 83% | 0.827 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 3.4 | -172.4 | -66.9 | 174.6 | 156.9 | 0 | 0 | 116.3 | L1046 | L1046-E1048 PolarHBondContact O-N 2.9Å; L1046-E1048 VanDerWaalsContact O-N 3.16Å |
| 1049 | K | 43 | Very low | 59.7 | Low | 206 Ų | 206 | 86.9 Ų | 86.9 | 90% | 0.896 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -12.2 | 172.7 | -71.5 | -170.8 | 175.3 | -175.3 | 0 | 114.3 | N1047 T1051 | N1047-K1049 PolarHBondContact O-N 2.94Å; K1049-T1051 PolarHBondContact O-N 3.34Å |
| 1050 | S | 42.6 | Very low | 59.4 | Low | 63 Ų | 63 | 93.9 Ų | 93.9 | 44% | 0.441 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -90.8 | 94.1 | 160.3 | 59.8 | 0 | 0 | 0 | 0 | 108.2 | N1047 | N1047-S1050 PolarHBondContact O-N 2.98Å; N1047-S1050 VanDerWaalsContact O-N 3.16Å |
| 1051 | T | 35.3 | Very low | 59.4 | Low | 116 Ų | 116 | 95 Ų | 95 | 71% | 0.712 | 52% | 0.522 | S | S | * | . | trans | 6.1 | 120.4 | 150.1 | 52.3 | 0 | 0 | 0 | 0 | 116 | K1049 | K1049-T1051 PolarHBondContact O-N 3.34Š| ||
| 1052 | N | 36 | Very low | 59.8 | Low | 154 Ų | 154 | 96 Ų | 96 | 82% | 0.824 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -12 | 131.1 | 150.2 | -58.9 | -20.3 | 0 | 0 | 0 | 114.2 | ||
| 1053 | D | 43.7 | Very low | 60.6 | Low | 148 Ų | 148 | 95.1 Ų | 95.1 | 79% | 0.791 | 52% | 0.515 | S | S | * | . | trans | 87.9 | 59.7 | -179.9 | -52 | -23.2 | 0 | 0 | 0 | 115.7 | S1055 | D1053-S1055 PolarHBondContact O-N 2.89Š| ||
| 1054 | C | 52.5 | Low | 62.2 | Low | 56 Ų | 56 | 88.2 Ų | 88.2 | 38% | 0.378 | 48% | 0.48 | S | S | . | . | trans | -71.5 | 78.3 | 153.1 | -85.9 | 0 | 0 | 0 | 0 | 108.4 | T1056 | C1054-T1056 PolarHBondContact O-N 3.08Š| ||
| 1055 | S | 65.6 | Low | 63.9 | Low | 62 Ų | 62 | 87.3 Ų | 87.3 | 43% | 0.434 | 48% | 0.475 | S | S | . | . | trans | -72.9 | 120 | -178.9 | 63.9 | 0 | 0 | 0 | 0 | 109.7 | D1053 V1057 | D1053-S1055 PolarHBondContact O-N 2.89Å; S1055-V1057 WeakPolarHBondContact CB-O 3.49Å; S1055-V1057 PolarHBondContact O-N 3.31Å; S1055-V1057 PolarHBondContact OG-O 3.48Å | ||
| 1056 | T | 75.8 | Confident | 65.9 | Low | 29 Ų | 29 | 91.2 Ų | 91.2 | 18% | 0.178 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -63.6 | -13.9 | 158.2 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | H1034 C1054 D1062 F1063 | H1034-T1056 HydrophobicContact CB-CG2 3.99Å; C1054-T1056 PolarHBondContact O-N 3.08Å; T1056-D1062 WeakPolarHBondContact CB-OD1 3.37Å; T1056-D1062 PolarHBondContact OG1-OD1 3Å; T1056-F1063 WeakPolarHBondContact O-CB 3.35Å; T1056-F1063 PolarHBondContact O-N 3.02Å |
| 1057 | V | 83.9 | Confident | 67.9 | Low | 66 Ų | 66 | 89.4 Ų | 89.4 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116 | 174 | -175 | 0 | 0 | 0 | 0 | 110.7 | S1055 I1061 D1062 | S1055-V1057 WeakPolarHBondContact CB-O 3.49Å; S1055-V1057 PolarHBondContact O-N 3.31Å; S1055-V1057 PolarHBondContact OG-O 3.48Å; V1057-I1061 CarbonylContact C-O 3.53Å; V1057-I1061 VanDerWaalsContact CA-O 3.27Å; V1057-I1061 WeakPolarHBondContact CA-O 3.25Å; V1057-D1062 HydrophobicContact CG2-CB 4.16Å |
| 1058 | I | 82.9 | Confident | 70.2 | Confident | 20 Ų | 20 | 82.6 Ų | 82.6 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 123.3 | 174.1 | -60.8 | 167.9 | 0 | 0 | 0 | 107.1 | V1027 Y1028 I1031 N1060 I1061 F1063 | V1027-I1058 HydrophobicContact CG1-CD1 4.16Å; V1027-I1058 HydrophobicContact CG1-CG2 3.96Å; Y1028-I1058 HydrophobicContact CD1-CD1 3.4Å; Y1028-I1058 HydrophobicContact CE1-CD1 3.61Å; Y1028-I1058 HydrophobicContact CE1-CG2 4.07Å; I1031-I1058 HydrophobicContact CD1-CD1 3.77Å; I1031-I1058 HydrophobicContact CG1-CD1 4.43Å; I1058-N1060 VanDerWaalsContact C-N 3.28Å; I1058-N1060 PolarHBondContact O-N 3.02Å; I1058-I1061 PolarHBondContact N-O 2.93Å; I1058-I1061 WeakPolarHBondContact O-CB 3.26Å; I1058-I1061 PolarHBondContact O-N 2.81Å; I1058-F1063 HydrophobicContact CB-CD2 4.33Å; I1058-F1063 HydrophobicContact CB-CE2 4.09Å; I1058-F1063 HydrophobicContact CD1-CD2 4.28Å; I1058-F1063 HydrophobicContact CD1-CE2 4.36Å |
| 1059 | E | 81.8 | Confident | 72.2 | Confident | 147 Ų | 147 | 75.1 Ų | 75.1 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 45.8 | -176.2 | -64.9 | -174.2 | -159.1 | 0 | 0 | 113.6 | P985 I1061 | P985-E1059 HydrophobicContact CG-CB 4.41Å; P985-E1059 VanDerWaalsContact CG-CD 3.48Å; P985-E1059 HydrophobicContact CG-CG 4.24Å; P985-E1059 WeakPolarHBondContact CG-OE2 3.38Å; E1059-I1061 PolarHBondContact O-N 3.25Å |
| 1060 | N | 81.1 | Confident | 73.8 | Confident | 160 Ų | 160 | 67 Ų | 67 | 86% | 0.856 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 14.8 | -176 | -55.2 | -40.2 | 0 | 0 | 0 | 115.3 | I1058 | I1058-N1060 VanDerWaalsContact C-N 3.28Å; I1058-N1060 PolarHBondContact O-N 3.02Å |
| 1061 | I | 86.3 | Confident | 75.1 | Confident | 24 Ų | 24 | 74.1 Ų | 74.1 | 12% | 0.123 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.5 | 174.5 | -55 | 173.4 | 0 | 0 | 0 | 108.9 | P985 K986 F989 V1057 I1058 E1059 F1063 | P985-I1061 HydrophobicContact CB-CD1 3.87Å; K986-I1061 HydrophobicContact CB-CD1 4.2Å; K986-I1061 HydrophobicContact CG-CD1 3.47Å; K986-I1061 VanDerWaalsContact CG-CD1 3.47Å; F989-I1061 HydrophobicContact CB-CG2 3.78Å; F989-I1061 HydrophobicContact CD1-CG2 4.17Å; F989-I1061 HydrophobicContact CD2-CG2 3.53Å; F989-I1061 HydrophobicContact CE2-CG2 4.17Å; F989-I1061 HydrophobicContact CG-CG2 3.53Å; V1057-I1061 CarbonylContact C-O 3.53Å; V1057-I1061 VanDerWaalsContact CA-O 3.27Å; V1057-I1061 WeakPolarHBondContact CA-O 3.25Å; I1058-I1061 PolarHBondContact N-O 2.93Å; I1058-I1061 WeakPolarHBondContact O-CB 3.26Å; I1058-I1061 PolarHBondContact O-N 2.81Å; E1059-I1061 PolarHBondContact O-N 3.25Å; I1061-F1063 HydrophobicContact CB-CD2 4.47Å; I1061-F1063 HydrophobicContact CB-CE2 4.04Å; I1061-F1063 HydrophobicContact CG2-CD2 4.18Å; I1061-F1063 HydrophobicContact CG2-CE2 3.85Å; I1061-F1063 HydrophobicContact CG2-CZ 4.39Å; I1061-F1063 WeakPolarHBondContact O-CD2 3.26Å; I1061-F1063 PolarHBondContact O-N 3.01Å |
| 1062 | D | 90.4 | Very high | 76.9 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 110.9 | 176.2 | -179.1 | 23.1 | 0 | 0 | 0 | 111.1 | F989 T1056 V1057 S1064 S1067 | F989-D1062 WeakPolarHBondContact CE2-O 3.4Å; T1056-D1062 WeakPolarHBondContact CB-OD1 3.37Å; T1056-D1062 PolarHBondContact OG1-OD1 3Å; V1057-D1062 HydrophobicContact CG2-CB 4.16Å; D1062-S1064 VanDerWaalsContact CG-OG 3.25Å; D1062-S1064 PolarHBondContact O-N 3.36Å; D1062-S1064 VanDerWaalsContact OD1-CB 3.24Å; D1062-S1064 WeakPolarHBondContact OD1-CB 3.28Å; D1062-S1064 PolarHBondContact OD1-N 2.88Å; D1062-S1064 PolarHBondContact OD1-OG 3.34Å; D1062-S1064 VanDerWaalsContact OD2-CB 3.3Å; D1062-S1064 WeakPolarHBondContact OD2-CB 3.49Å; D1062-S1064 PolarHBondContact OD2-OG 3.12Å; D1062-S1067 WeakPolarHBondContact O-CB 3.49Å; D1062-S1067 PolarHBondContact O-OG 3.27Å |
| 1063 | F | 92 | Very high | 78 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | trans | -85.7 | 16.4 | 173.6 | -72.8 | -98.7 | 0 | 0 | 0 | 113.3 | P985 I988 F989 Y1028 I1031 W1035 T1056 I1058 I1061 | P985-F1063 WeakPolarHBondContact O-CZ 3.36Å; I988-F1063 HydrophobicContact CB-CE1 4.42Å; I988-F1063 HydrophobicContact CB-CZ 4.48Å; I988-F1063 HydrophobicContact CG2-CE1 3.99Å; I988-F1063 HydrophobicContact CG2-CZ 4.39Å; F989-F1063 VanDerWaalsContact CA-CE1 3.4Å; F989-F1063 HydrophobicContact CB-CD1 4.35Å; F989-F1063 HydrophobicContact CB-CE1 3.64Å; F989-F1063 HydrophobicContact CB-CE2 4.43Å; F989-F1063 HydrophobicContact CB-CZ 3.69Å; F989-F1063 AromaticContact CD2-CD1 3.91Å; F989-F1063 HydrophobicContact CD2-CD1 3.91Å; F989-F1063 HydrophobicContact CD2-CE1 4.07Å; F989-F1063 HydrophobicContact CD2-CG 4.18Å; F989-F1063 HydrophobicContact CD2-CZ 4.43Å; F989-F1063 HydrophobicContact CG-CE1 4.38Å; Y1028-F1063 HydrophobicContact CE1-CE2 4.39Å; Y1028-F1063 HydrophobicContact CE1-CZ 4.13Å; I1031-F1063 HydrophobicContact CD1-CB 3.73Å; I1031-F1063 HydrophobicContact CD1-CD1 3.68Å; I1031-F1063 HydrophobicContact CD1-CD2 4.07Å; I1031-F1063 HydrophobicContact CD1-CE1 4.22Å; I1031-F1063 HydrophobicContact CD1-CG 3.57Å; I1031-F1063 HydrophobicContact CG1-CB 4.06Å; I1031-F1063 HydrophobicContact CG1-CG 4.43Å; I1031-F1063 HydrophobicContact CG2-CB 4.12Å; W1035-F1063 PolarHBondContact NE1-O 3.29Å; T1056-F1063 WeakPolarHBondContact O-CB 3.35Å; T1056-F1063 PolarHBondContact O-N 3.02Å; I1058-F1063 HydrophobicContact CB-CD2 4.33Å; I1058-F1063 HydrophobicContact CB-CE2 4.09Å; I1058-F1063 HydrophobicContact CD1-CD2 4.28Å; I1058-F1063 HydrophobicContact CD1-CE2 4.36Å; I1061-F1063 HydrophobicContact CB-CD2 4.47Å; I1061-F1063 HydrophobicContact CB-CE2 4.04Å; I1061-F1063 HydrophobicContact CG2-CD2 4.18Å; I1061-F1063 HydrophobicContact CG2-CE2 3.85Å; I1061-F1063 HydrophobicContact CG2-CZ 4.39Å; I1061-F1063 WeakPolarHBondContact O-CD2 3.26Å; I1061-F1063 PolarHBondContact O-N 3.01Å | ||
| 1064 | S | 90.2 | Very high | 78.7 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | trans | -54.5 | 150.6 | 169.8 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | D1062 E1066 S1067 C1068 | D1062-S1064 VanDerWaalsContact CG-OG 3.25Å; D1062-S1064 PolarHBondContact O-N 3.36Å; D1062-S1064 VanDerWaalsContact OD1-CB 3.24Å; D1062-S1064 WeakPolarHBondContact OD1-CB 3.28Å; D1062-S1064 PolarHBondContact OD1-N 2.88Å; D1062-S1064 PolarHBondContact OD1-OG 3.34Å; D1062-S1064 VanDerWaalsContact OD2-CB 3.3Å; D1062-S1064 WeakPolarHBondContact OD2-CB 3.49Å; D1062-S1064 PolarHBondContact OD2-OG 3.12Å; S1064-E1066 PolarHBondContact O-N 3.39Å; S1064-S1067 PolarHBondContact O-N 3.13Å; S1064-S1067 VanDerWaalsContact OG-CB 3.24Å; S1064-S1067 WeakPolarHBondContact OG-CB 3.45Å; S1064-S1067 PolarHBondContact OG-N 3.43Å; S1064-C1068 PolarHBondContact O-N 3.28Å; S1064-C1068 PolarHBondContact O-SG 3.37Å | ||
| 1065 | L | 88.2 | Confident | 78.4 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.2 | -38.1 | -179 | -173.1 | 63.6 | 0 | 0 | 0 | 111.5 | C996 L1000 W1035 A1038 I1039 C1068 M1069 F1088 | C996-L1065 HydrophobicContact CB-CD1 4.37Å; L1000-L1065 HydrophobicContact CD1-CD1 3.88Å; L1000-L1065 HydrophobicContact CD1-CD2 4.33Å; L1000-L1065 HydrophobicContact CD1-CG 4.41Å; W1035-L1065 HydrophobicContact CB-CD1 4.37Å; W1035-L1065 HydrophobicContact CG-CD1 4.18Å; A1038-L1065 HydrophobicContact CB-CB 4.1Å; A1038-L1065 HydrophobicContact CB-CD2 3.9Å; I1039-L1065 HydrophobicContact CD1-CD2 4.22Å; I1039-L1065 HydrophobicContact CG1-CD2 3.64Å; L1065-C1068 PolarHBondContact O-N 3.29Å; L1065-M1069 HydrophobicContact CD1-SD 4.38Å; L1065-M1069 HydrophobicContact CD2-SD 4.47Å; L1065-M1069 HydrophobicContact CG-SD 3.96Å; L1065-M1069 WeakPolarHBondContact O-CB 3.28Å; L1065-M1069 VanDerWaalsContact O-CG 3.27Å; L1065-M1069 WeakPolarHBondContact O-CG 3.41Å; L1065-M1069 PolarHBondContact O-N 3.27Å; L1065-F1088 HydrophobicContact CD1-CZ 4.17Å |
| 1066 | E | 85 | Confident | 77.6 | Confident | 164 Ų | 164 | 71.7 Ų | 71.7 | 77% | 0.766 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.3 | -46.7 | 177.2 | -63.7 | -179.7 | 176.6 | 0 | 0 | 111.6 | S1064 M1069 G1070 | S1064-E1066 PolarHBondContact O-N 3.39Å; E1066-M1069 PolarHBondContact O-N 2.89Å; E1066-G1070 PolarHBondContact O-N 3.43Å; E1066-G1070 VanDerWaalsContact O-N 3.09Å |
| 1067 | S | 88.7 | Confident | 76.4 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.2 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | F989 D1062 S1064 M1069 G1070 | F989-S1067 WeakPolarHBondContact CE2-OG 3.31Å; F989-S1067 WeakPolarHBondContact CZ-OG 3.4Å; D1062-S1067 WeakPolarHBondContact O-CB 3.49Å; D1062-S1067 PolarHBondContact O-OG 3.27Å; S1064-S1067 PolarHBondContact O-N 3.13Å; S1064-S1067 VanDerWaalsContact OG-CB 3.24Å; S1064-S1067 WeakPolarHBondContact OG-CB 3.45Å; S1064-S1067 PolarHBondContact OG-N 3.43Å; S1067-M1069 VanDerWaalsContact C-N 3.3Å; S1067-M1069 PolarHBondContact O-N 3.42Å; S1067-G1070 PolarHBondContact O-N 2.84Å |
| 1068 | C | 89.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.1 | -34.3 | 177.4 | -69.9 | 0 | 0 | 0 | 0 | 112.6 | F989 R993 C996 S1064 L1065 | F989-C1068 VanDerWaalsContact CE2-SG 3.59Å; R993-C1068 VanDerWaalsContact CA-O 3.26Å; R993-C1068 WeakPolarHBondContact CA-O 3.1Å; R993-C1068 VanDerWaalsContact CB-O 3.32Å; R993-C1068 WeakPolarHBondContact CB-O 3.32Å; R993-C1068 VanDerWaalsContact CG-O 3.22Å; R993-C1068 WeakPolarHBondContact CG-O 3.3Å; C996-C1068 HydrophobicContact CB-CB 4.07Å; S1064-C1068 PolarHBondContact O-N 3.28Å; S1064-C1068 PolarHBondContact O-SG 3.37Å; L1065-C1068 PolarHBondContact O-N 3.29Å |
| 1069 | M | 81.7 | Confident | 73.3 | Confident | 20 Ų | 20 | 77.1 Ų | 77.1 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -77.3 | -25 | 178.1 | -75.1 | 175.2 | 35.3 | 0 | 0 | 113.8 | C996 L1000 L1065 E1066 S1067 H1072 T1074 | C996-M1069 HydrophobicContact CB-CG 4.16Å; L1000-M1069 HydrophobicContact CD1-CG 4.29Å; L1000-M1069 HydrophobicContact CD1-SD 3.7Å; L1065-M1069 HydrophobicContact CD1-SD 4.38Å; L1065-M1069 HydrophobicContact CD2-SD 4.47Å; L1065-M1069 HydrophobicContact CG-SD 3.96Å; L1065-M1069 WeakPolarHBondContact O-CB 3.28Å; L1065-M1069 VanDerWaalsContact O-CG 3.27Å; L1065-M1069 WeakPolarHBondContact O-CG 3.41Å; L1065-M1069 PolarHBondContact O-N 3.27Å; E1066-M1069 PolarHBondContact O-N 2.89Å; S1067-M1069 VanDerWaalsContact C-N 3.3Å; S1067-M1069 PolarHBondContact O-N 3.42Å; M1069-H1072 PolarHBondContact O-CD2 3.15Å; M1069-H1072 VanDerWaalsContact O-CD2 3.32Å; M1069-T1074 HydrophobicContact CE-CG2 3.27Å; M1069-T1074 HydrophobicContact SD-CG2 4.25Å |
| 1070 | G | 75.9 | Confident | 71.8 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | -143.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1066 S1067 H1072 | E1066-G1070 PolarHBondContact O-N 3.43Å; E1066-G1070 VanDerWaalsContact O-N 3.09Å; S1067-G1070 PolarHBondContact O-N 2.84Å; G1070-H1072 PolarHBondContact O-N 3.42Å |
| 1071 | K | 71.5 | Confident | 70.2 | Confident | 213 Ų | 213 | 72.3 Ų | 72.3 | 93% | 0.926 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 5 | -176.4 | -65.5 | -175.5 | 179.7 | 179.6 | 0 | 114.3 | N1073 | K1071-N1073 PolarHBondContact O-N 3.08Š|
| 1072 | H | 71.9 | Confident | 68.6 | Low | 49 Ų | 49 | 71.9 Ų | 71.9 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | trans | -78.4 | 109.4 | -176 | -67.9 | -64.1 | 0 | 0 | 0 | 110.5 | E900 L903 M1069 G1070 T1074 | E900-H1072 IonicContact OE1-CD2 2.74Å; E900-H1072 IonicContact OE1-CE1 3.34Å; E900-H1072 IonicContact OE1-NE2 2.87Å; E900-H1072 PolarHBondContact OE1-NE2 3.28Å; E900-H1072 IonicContact OE2-CE1 2.94Å; E900-H1072 PolarHBondContact OE2-CE1 3.48Å; E900-H1072 IonicContact OE2-NE2 2.66Å; E900-H1072 PolarHBondContact OE2-NE2 3.28Å; L903-H1072 VanDerWaalsContact CD2-CE1 3.41Å; L903-H1072 WeakPolarHBondContact CD2-CE1 3.43Å; M1069-H1072 PolarHBondContact O-CD2 3.15Å; M1069-H1072 VanDerWaalsContact O-CD2 3.32Å; G1070-H1072 PolarHBondContact O-N 3.42Å; H1072-T1074 PolarHBondContact O-N 3.07Å | ||
| 1073 | N | 58.5 | Low | 67.5 | Low | 122 Ų | 122 | 71.4 Ų | 71.4 | 65% | 0.652 | 37% | 0.374 | S | S | * | . | trans | -75.2 | 124.3 | 178 | -167.1 | -6.7 | 0 | 0 | 0 | 110.4 | K1071 M1075 | K1071-N1073 PolarHBondContact O-N 3.08Å; N1073-M1075 PolarHBondContact O-N 3.03Å; N1073-M1075 PolarHBondContact OD1-N 3.29Å; N1073-M1075 VanDerWaalsContact OD1-N 3.09Å | ||
| 1074 | T | 59.1 | Low | 67.1 | Low | 48 Ų | 48 | 71.4 Ų | 71.4 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | trans | -81.7 | 9.1 | 176.1 | 44.1 | 0 | 0 | 0 | 0 | 113.9 | M1069 H1072 E1076 Y1085 | M1069-T1074 HydrophobicContact CE-CG2 3.27Å; M1069-T1074 HydrophobicContact SD-CG2 4.25Å; H1072-T1074 PolarHBondContact O-N 3.07Å; T1074-E1076 PolarHBondContact O-N 3.16Å; T1074-Y1085 WeakPolarHBondContact CG2-OH 3.43Å | ||
| 1075 | M | 46.8 | Very low | 67 | Low | 130 Ų | 130 | 71.7 Ų | 71.7 | 64% | 0.64 | 37% | 0.372 | S | S | * | . | trans | -30.1 | 127.9 | -169 | -150.2 | 158.6 | 87.4 | 0 | 0 | 114.5 | N1073 C1077 R1081 | N1073-M1075 PolarHBondContact O-N 3.03Å; N1073-M1075 PolarHBondContact OD1-N 3.29Å; N1073-M1075 VanDerWaalsContact OD1-N 3.09Å; M1075-C1077 PolarHBondContact O-N 3.07Å; M1075-R1081 PolarHBondContact O-NH1 2.91Å | ||
| 1076 | E | 48.5 | Very low | 67.2 | Low | 137 Ų | 137 | 71.3 Ų | 71.3 | 64% | 0.64 | 37% | 0.37 | S | S | * | . | trans | -72.4 | 68.2 | -147.2 | -56.4 | 174.5 | 166.6 | 0 | 0 | 115.6 | T1074 I1078 S1135 | T1074-E1076 PolarHBondContact O-N 3.16Å; E1076-I1078 PolarHBondContact O-N 3Å; E1076-I1078 VanDerWaalsContact O-N 3.08Å; E1076-S1135 VanDerWaalsContact CD-OG 3.24Å; E1076-S1135 WeakPolarHBondContact OE2-CB 3.15Å; E1076-S1135 PolarHBondContact OE2-OG 2.93Å | ||
| 1077 | C | 49.7 | Very low | 67.5 | Low | 48 Ų | 48 | 65.3 Ų | 65.3 | 32% | 0.324 | 34% | 0.343 | S | S | . | . | trans | -72.3 | 108.1 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | M1075 T1079 R1081 | M1075-C1077 PolarHBondContact O-N 3.07Å; C1077-T1079 VanDerWaalsContact C-N 3.32Å; C1077-T1079 PolarHBondContact O-N 2.97Å; C1077-R1081 HydrophobicContact CB-CB 4.17Å; C1077-R1081 VanDerWaalsContact CB-CD 3.42Å; C1077-R1081 HydrophobicContact CB-CG 3.68Å; C1077-R1081 VanDerWaalsContact CB-NE 3.29Å | ||
| 1078 | I | 51.7 | Low | 67.7 | Low | 60 Ų | 60 | 63.4 Ų | 63.4 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.3 | -171.9 | -67.2 | 160.4 | 0 | 0 | 0 | 114.4 | E1076 L1134 V1138 S1178 | E1076-I1078 PolarHBondContact O-N 3Å; E1076-I1078 VanDerWaalsContact O-N 3.08Å; I1078-L1134 HydrophobicContact CD1-CD2 3.62Å; I1078-L1134 HydrophobicContact CD1-CG 4.03Å; I1078-V1138 HydrophobicContact CG2-CG1 4.35Å; I1078-V1138 HydrophobicContact CG2-CG2 4.2Å; I1078-V1138 WeakPolarHBondContact O-CG1 3.38Å; I1078-S1178 VanDerWaalsContact CG2-OG 3.23Å; I1078-S1178 WeakPolarHBondContact CG2-OG 3.44Å |
| 1079 | T | 50.5 | Low | 67.9 | Low | 121 Ų | 121 | 63.4 Ų | 63.4 | 74% | 0.742 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -19.6 | -166.7 | 52 | 0 | 0 | 0 | 0 | 115.5 | C1077 | C1077-T1079 VanDerWaalsContact C-N 3.32Å; C1077-T1079 PolarHBondContact O-N 2.97Å |
| 1080 | R | 50.6 | Low | 68.5 | Low | 150 Ų | 150 | 63.9 Ų | 63.9 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149.9 | -11.7 | -172.3 | -129.7 | 175.1 | 173.3 | -178.2 | -0.2 | 117.8 | ||
| 1081 | R | 47 | Very low | 69.4 | Low | 56 Ų | 56 | 62.3 Ų | 62.3 | 21% | 0.211 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3.3 | -173 | -68.8 | -173.5 | -160.3 | 175.2 | -7.5 | 115.8 | E909 R1003 M1075 C1077 | E909-R1081 IonicContact OE1-CZ 2.95Å; E909-R1081 IonicContact OE1-NH2 3.1Å; E909-R1081 PolarHBondContact OE1-NH2 3.17Å; R1003-R1081 HydrophobicContact CG-CG 4.36Å; R1003-R1081 VanDerWaalsContact NH1-NE 3.11Å; R1003-R1081 VanDerWaalsContact NH1-NH2 3.15Å; R1003-R1081 VanDerWaalsContact NH2-NE 3.17Å; M1075-R1081 PolarHBondContact O-NH1 2.91Å; C1077-R1081 HydrophobicContact CB-CB 4.17Å; C1077-R1081 VanDerWaalsContact CB-CD 3.42Å; C1077-R1081 HydrophobicContact CB-CG 3.68Å; C1077-R1081 VanDerWaalsContact CB-NE 3.29Å |
| 1082 | G | 53.7 | Low | 70.5 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 16% | 0.155 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -2.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1084 Y1085 P1086 | G1082-G1084 VanDerWaalsContact C-N 3.34Å; G1082-G1084 PolarHBondContact O-N 2.92Å; G1082-Y1085 WeakPolarHBondContact O-CB 3.42Å; G1082-Y1085 PolarHBondContact O-N 3.16Å; G1082-Y1085 VanDerWaalsContact O-N 3.12Å; G1082-P1086 WeakPolarHBondContact O-CD 3.41Å |
| 1083 | A | 67.1 | Low | 71.6 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -31.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1008 | F1008-A1083 HydrophobicContact CE1-CB 3.87Å; F1008-A1083 HydrophobicContact CE2-CB 3.88Å; F1008-A1083 HydrophobicContact CZ-CB 3.33Å |
| 1084 | G | 83.1 | Confident | 73.3 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -78 | -23.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L999 G1082 L1087 F1088 | L999-G1084 WeakPolarHBondContact O-CA 3.22Å; G1082-G1084 VanDerWaalsContact C-N 3.34Å; G1082-G1084 PolarHBondContact O-N 2.92Å; G1084-L1087 CarbonylContact O-C 3.52Å; G1084-L1087 WeakPolarHBondContact O-CB 3.04Å; G1084-L1087 PolarHBondContact O-N 3.02Å; G1084-L1087 VanDerWaalsContact O-N 3.09Å; G1084-F1088 WeakPolarHBondContact O-CB 3.42Å; G1084-F1088 PolarHBondContact O-N 3.26Å |
| 1085 | Y | 88.8 | Confident | 74.8 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | -179.4 | -72.4 | -107 | 0 | 0 | 0 | 113.4 | L1000 I1039 T1074 G1082 L1087 F1088 V1089 L1139 | L1000-Y1085 HydrophobicContact CB-CE2 4.46Å; L1000-Y1085 HydrophobicContact CD2-CD1 3.79Å; L1000-Y1085 HydrophobicContact CD2-CD2 4.09Å; L1000-Y1085 HydrophobicContact CD2-CE1 3.81Å; L1000-Y1085 HydrophobicContact CD2-CE2 4.09Å; L1000-Y1085 HydrophobicContact CD2-CG 3.94Å; I1039-Y1085 HydrophobicContact CD1-CD1 4.23Å; I1039-Y1085 HydrophobicContact CG1-CD1 4.35Å; I1039-Y1085 HydrophobicContact CG1-CE1 4.47Å; I1039-Y1085 HydrophobicContact CG2-CD1 3.83Å; T1074-Y1085 WeakPolarHBondContact CG2-OH 3.43Å; G1082-Y1085 WeakPolarHBondContact O-CB 3.42Å; G1082-Y1085 PolarHBondContact O-N 3.16Å; G1082-Y1085 VanDerWaalsContact O-N 3.12Å; Y1085-L1087 PolarHBondContact O-N 3.43Å; Y1085-F1088 WeakPolarHBondContact O-CB 3.45Å; Y1085-F1088 PolarHBondContact O-N 3.14Å; Y1085-V1089 WeakPolarHBondContact O-CG2 3.39Å; Y1085-V1089 PolarHBondContact O-N 3.01Å; Y1085-L1139 HydrophobicContact CD1-CD1 3.72Å; Y1085-L1139 HydrophobicContact CD1-CD2 4.17Å; Y1085-L1139 HydrophobicContact CD2-CD1 4.18Å; Y1085-L1139 HydrophobicContact CE1-CD1 4.39Å; Y1085-L1139 HydrophobicContact CE1-CD2 4.29Å; Y1085-L1139 HydrophobicContact CG-CD1 3.59Å |
| 1086 | P | 90.9 | Very high | 76.8 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.2 | -36.2 | 172.9 | -24.1 | 29.9 | 0 | 0 | 0 | 112.7 | G1082 Q1090 N1142 | G1082-P1086 WeakPolarHBondContact O-CD 3.41Å; P1086-Q1090 VanDerWaalsContact O-CB 3.25Å; P1086-Q1090 WeakPolarHBondContact O-CB 3.41Å; P1086-Q1090 WeakPolarHBondContact O-CG 3.41Å; P1086-Q1090 PolarHBondContact O-N 3.27Å; P1086-Q1090 PolarHBondContact O-NE2 3.36Å; P1086-Q1090 VanDerWaalsContact O-NE2 3.1Å; P1086-N1142 HydrophobicContact CG-CB 4.21Å; P1086-N1142 WeakPolarHBondContact CG-O 3.26Å |
| 1087 | L | 91.4 | Very high | 78.5 | Confident | 38 Ų | 38 | 31.8 Ų | 31.8 | 20% | 0.199 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -75.5 | -38 | 179.3 | -68.1 | 168.8 | 0 | 0 | 0 | 111.8 | F1008 E1009 A1012 G1084 Y1085 Q1090 A1091 | F1008-L1087 HydrophobicContact CD2-CD1 3.64Å; F1008-L1087 HydrophobicContact CE2-CD1 3.9Å; E1009-L1087 HydrophobicContact CB-CD1 4.47Å; E1009-L1087 HydrophobicContact CG-CD1 3.92Å; A1012-L1087 HydrophobicContact CB-CB 3.79Å; A1012-L1087 HydrophobicContact CB-CD1 4.33Å; A1012-L1087 HydrophobicContact CB-CG 4.47Å; G1084-L1087 CarbonylContact O-C 3.52Å; G1084-L1087 WeakPolarHBondContact O-CB 3.04Å; G1084-L1087 PolarHBondContact O-N 3.02Å; G1084-L1087 VanDerWaalsContact O-N 3.09Å; Y1085-L1087 PolarHBondContact O-N 3.43Å; L1087-Q1090 PolarHBondContact O-N 3.05Å; L1087-A1091 VanDerWaalsContact O-CB 3.32Å; L1087-A1091 WeakPolarHBondContact O-CB 3.41Å; L1087-A1091 PolarHBondContact O-N 3.01Å |
| 1088 | F | 93.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.6 | -49 | 172.1 | -170.3 | -80 | 0 | 0 | 0 | 110.8 | L999 L1000 F1015 W1035 I1039 L1065 G1084 Y1085 A1091 I1092 | L999-F1088 HydrophobicContact CB-CD2 3.86Å; L999-F1088 HydrophobicContact CD1-CB 4.44Å; L999-F1088 HydrophobicContact CD1-CD2 3.7Å; L999-F1088 HydrophobicContact CD1-CE2 4.5Å; L999-F1088 HydrophobicContact CD1-CG 4.49Å; L999-F1088 HydrophobicContact CG-CD2 4.44Å; L1000-F1088 HydrophobicContact CD1-CE2 4.38Å; L1000-F1088 HydrophobicContact CD2-CB 4.31Å; L1000-F1088 HydrophobicContact CD2-CD2 4.05Å; L1000-F1088 HydrophobicContact CD2-CG 4.14Å; L1000-F1088 HydrophobicContact CG-CD2 4.29Å; L1000-F1088 HydrophobicContact CG-CE2 4.47Å; F1015-F1088 HydrophobicContact CD1-CD2 4.09Å; F1015-F1088 HydrophobicContact CD1-CE2 4.42Å; F1015-F1088 HydrophobicContact CD1-CG 4.47Å; F1015-F1088 HydrophobicContact CE1-CB 4.45Å; F1015-F1088 HydrophobicContact CE1-CD1 4.04Å; F1015-F1088 AromaticContact CE1-CD2 3.41Å; F1015-F1088 HydrophobicContact CE1-CD2 3.41Å; F1015-F1088 VanDerWaalsContact CE1-CD2 3.41Å; F1015-F1088 HydrophobicContact CE1-CE1 4.12Å; F1015-F1088 AromaticContact CE1-CE2 3.49Å; F1015-F1088 HydrophobicContact CE1-CE2 3.49Å; F1015-F1088 VanDerWaalsContact CE1-CE2 3.49Å; F1015-F1088 AromaticContact CE1-CG 3.7Å; F1015-F1088 HydrophobicContact CE1-CG 3.7Å; F1015-F1088 AromaticContact CE1-CZ 3.86Å; F1015-F1088 HydrophobicContact CE1-CZ 3.86Å; F1015-F1088 HydrophobicContact CE2-CE2 4.07Å; F1015-F1088 HydrophobicContact CE2-CZ 4.46Å; F1015-F1088 HydrophobicContact CZ-CD1 4.44Å; F1015-F1088 AromaticContact CZ-CD2 3.74Å; F1015-F1088 HydrophobicContact CZ-CD2 3.74Å; F1015-F1088 HydrophobicContact CZ-CE1 4.06Å; F1015-F1088 AromaticContact CZ-CE2 3.26Å; F1015-F1088 HydrophobicContact CZ-CE2 3.26Å; F1015-F1088 HydrophobicContact CZ-CG 4.31Å; F1015-F1088 AromaticContact CZ-CZ 3.46Å; F1015-F1088 HydrophobicContact CZ-CZ 3.46Å; F1015-F1088 VanDerWaalsContact CZ-CZ 3.46Å; W1035-F1088 HydrophobicContact CB-CE1 3.87Å; W1035-F1088 HydrophobicContact CB-CZ 4.03Å; W1035-F1088 HydrophobicContact CD2-CZ 4.38Å; W1035-F1088 HydrophobicContact CE3-CZ 4.19Å; W1035-F1088 HydrophobicContact CG-CZ 4.38Å; I1039-F1088 HydrophobicContact CD1-CD1 3.23Å; I1039-F1088 HydrophobicContact CD1-CE1 3.36Å; I1039-F1088 HydrophobicContact CD1-CG 3.98Å; I1039-F1088 HydrophobicContact CD1-CZ 4.22Å; L1065-F1088 HydrophobicContact CD1-CZ 4.17Å; G1084-F1088 WeakPolarHBondContact O-CB 3.42Å; G1084-F1088 PolarHBondContact O-N 3.26Å; Y1085-F1088 WeakPolarHBondContact O-CB 3.45Å; Y1085-F1088 PolarHBondContact O-N 3.14Å; F1088-A1091 PolarHBondContact O-N 2.98Å; F1088-I1092 HydrophobicContact CD1-CD1 3.65Å; F1088-I1092 HydrophobicContact CE1-CD1 3.35Å; F1088-I1092 HydrophobicContact CZ-CD1 4.25Å; F1088-I1092 WeakPolarHBondContact O-CG1 3.39Å; F1088-I1092 PolarHBondContact O-N 3.06Å |
| 1089 | V | 94.4 | Very high | 81 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | L1036 I1039 Y1085 A1091 I1092 L1093 I1143 I1147 | L1036-V1089 HydrophobicContact CD1-CB 4.32Å; L1036-V1089 HydrophobicContact CD1-CG1 3.73Å; L1036-V1089 HydrophobicContact CD1-CG2 4.06Å; I1039-V1089 HydrophobicContact CG2-CG2 4Å; Y1085-V1089 WeakPolarHBondContact O-CG2 3.39Å; Y1085-V1089 PolarHBondContact O-N 3.01Å; V1089-A1091 VanDerWaalsContact C-N 3.33Å; V1089-A1091 PolarHBondContact O-N 3.17Å; V1089-I1092 PolarHBondContact O-N 3.02Å; V1089-L1093 HydrophobicContact CG1-CD1 3.59Å; V1089-L1093 HydrophobicContact CG1-CG 4.17Å; V1089-L1093 WeakPolarHBondContact O-CB 3.44Å; V1089-L1093 VanDerWaalsContact O-CG 3.26Å; V1089-L1093 WeakPolarHBondContact O-CG 3.28Å; V1089-L1093 PolarHBondContact O-N 3.35Å; V1089-I1143 HydrophobicContact CB-CG2 3.96Å; V1089-I1143 HydrophobicContact CG1-CG2 3.72Å; V1089-I1143 HydrophobicContact CG2-CD1 4.23Å; V1089-I1143 HydrophobicContact CG2-CG1 4.39Å; V1089-I1143 HydrophobicContact CG2-CG2 3.92Å; V1089-I1147 HydrophobicContact CG1-CD1 4.23Å |
| 1090 | Q | 94.7 | Very high | 81.4 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.5 | -80.3 | 167.2 | 56.4 | 0 | 0 | 112.3 | P1086 L1087 L1093 C1094 G1146 L1153 | P1086-Q1090 VanDerWaalsContact O-CB 3.25Å; P1086-Q1090 WeakPolarHBondContact O-CB 3.41Å; P1086-Q1090 WeakPolarHBondContact O-CG 3.41Å; P1086-Q1090 PolarHBondContact O-N 3.27Å; P1086-Q1090 PolarHBondContact O-NE2 3.36Å; P1086-Q1090 VanDerWaalsContact O-NE2 3.1Å; L1087-Q1090 PolarHBondContact O-N 3.05Å; Q1090-L1093 PolarHBondContact O-N 2.89Å; Q1090-C1094 VanDerWaalsContact O-CB 3.3Å; Q1090-C1094 WeakPolarHBondContact O-CB 3.33Å; Q1090-C1094 PolarHBondContact O-N 3.37Å; Q1090-C1094 PolarHBondContact O-SG 2.83Å; Q1090-G1146 VanDerWaalsContact NE2-CA 3.31Å; Q1090-G1146 PolarHBondContact NE2-O 3.37Å; Q1090-G1146 VanDerWaalsContact NE2-O 3.17Å; Q1090-L1153 HydrophobicContact CB-CD1 4.31Å; Q1090-L1153 HydrophobicContact CG-CD1 3.93Å |
| 1091 | A | 94.4 | Very high | 81.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1015 T1016 L1087 F1088 V1089 C1094 A1095 | F1015-A1091 HydrophobicContact CD1-CB 3.51Å; F1015-A1091 HydrophobicContact CE1-CB 4.07Å; F1015-A1091 HydrophobicContact CG-CB 4.43Å; T1016-A1091 VanDerWaalsContact OG1-CB 3.25Å; T1016-A1091 WeakPolarHBondContact OG1-CB 3.26Å; L1087-A1091 VanDerWaalsContact O-CB 3.32Å; L1087-A1091 WeakPolarHBondContact O-CB 3.41Å; L1087-A1091 PolarHBondContact O-N 3.01Å; F1088-A1091 PolarHBondContact O-N 2.98Å; V1089-A1091 VanDerWaalsContact C-N 3.33Å; V1089-A1091 PolarHBondContact O-N 3.17Å; A1091-C1094 PolarHBondContact O-N 3.12Å; A1091-A1095 WeakPolarHBondContact O-CB 3.48Å; A1091-A1095 PolarHBondContact O-N 3.06Å |
| 1092 | I | 95.5 | Very high | 82.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.3 | -46.5 | 177.4 | -64.4 | 165.8 | 0 | 0 | 0 | 111.1 | F1015 P1032 W1035 L1036 F1088 V1089 C1094 A1095 D1096 | F1015-I1092 HydrophobicContact CE1-CD1 4.43Å; F1015-I1092 HydrophobicContact CE1-CG1 4.15Å; F1015-I1092 HydrophobicContact CZ-CG1 4.41Å; P1032-I1092 HydrophobicContact CB-CG1 4.23Å; P1032-I1092 HydrophobicContact CB-CG2 3.88Å; W1035-I1092 HydrophobicContact CB-CD1 4.2Å; L1036-I1092 HydrophobicContact CB-CD1 4.29Å; L1036-I1092 HydrophobicContact CB-CG2 4.17Å; L1036-I1092 HydrophobicContact CD2-CG2 4.33Å; F1088-I1092 HydrophobicContact CD1-CD1 3.65Å; F1088-I1092 HydrophobicContact CE1-CD1 3.35Å; F1088-I1092 HydrophobicContact CZ-CD1 4.25Å; F1088-I1092 WeakPolarHBondContact O-CG1 3.39Å; F1088-I1092 PolarHBondContact O-N 3.06Å; V1089-I1092 PolarHBondContact O-N 3.02Å; I1092-C1094 PolarHBondContact O-N 3.03Å; I1092-A1095 WeakPolarHBondContact O-CB 3.45Å; I1092-A1095 PolarHBondContact O-N 3.07Å; I1092-D1096 PolarHBondContact O-N 2.67Å |
| 1093 | L | 95 | Very high | 82.6 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.5 | -36 | -179.8 | -68.5 | 174.2 | 0 | 0 | 0 | 112.4 | L1036 V1089 Q1090 I1097 T1107 L1108 T1111 I1147 L1153 | L1036-L1093 HydrophobicContact CD2-CD2 3.96Å; V1089-L1093 HydrophobicContact CG1-CD1 3.59Å; V1089-L1093 HydrophobicContact CG1-CG 4.17Å; V1089-L1093 WeakPolarHBondContact O-CB 3.44Å; V1089-L1093 VanDerWaalsContact O-CG 3.26Å; V1089-L1093 WeakPolarHBondContact O-CG 3.28Å; V1089-L1093 PolarHBondContact O-N 3.35Å; Q1090-L1093 PolarHBondContact O-N 2.89Å; L1093-I1097 WeakPolarHBondContact O-CD1 3.22Å; L1093-I1097 VanDerWaalsContact O-CG1 3.27Å; L1093-I1097 WeakPolarHBondContact O-CG1 3.47Å; L1093-I1097 PolarHBondContact O-N 2.93Å; L1093-I1097 VanDerWaalsContact O-N 3.16Å; L1093-T1107 HydrophobicContact CD2-CG2 4.14Å; L1093-L1108 HydrophobicContact CD1-CD1 3.85Å; L1093-L1108 HydrophobicContact CD2-CB 4.36Å; L1093-T1111 HydrophobicContact CD1-CG2 4.37Å; L1093-I1147 HydrophobicContact CD1-CD1 3.78Å; L1093-I1147 HydrophobicContact CD1-CG1 4.03Å; L1093-L1153 HydrophobicContact CB-CD1 3.92Å; L1093-L1153 HydrophobicContact CB-CD2 4.04Å; L1093-L1153 HydrophobicContact CD1-CD1 4.15Å |
| 1094 | C | 92.5 | Very high | 82.5 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -43.2 | 174.2 | -69.8 | 0 | 0 | 0 | 0 | 111.1 | T1016 Q1090 A1091 I1092 I1097 T1098 | T1016-C1094 HydrophobicContact CG2-CB 4.22Å; Q1090-C1094 VanDerWaalsContact O-CB 3.3Å; Q1090-C1094 WeakPolarHBondContact O-CB 3.33Å; Q1090-C1094 PolarHBondContact O-N 3.37Å; Q1090-C1094 PolarHBondContact O-SG 2.83Å; A1091-C1094 PolarHBondContact O-N 3.12Å; I1092-C1094 PolarHBondContact O-N 3.03Å; C1094-I1097 PolarHBondContact O-N 3.14Å; C1094-T1098 VanDerWaalsContact O-CG2 3.31Å; C1094-T1098 WeakPolarHBondContact O-CG2 3.48Å; C1094-T1098 PolarHBondContact O-N 3.05Å |
| 1095 | A | 90.7 | Very high | 82.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C1019 V1023 A1091 I1092 I1097 T1098 | C1019-A1095 HydrophobicContact CB-CB 3.67Å; V1023-A1095 HydrophobicContact CG2-CB 4.26Å; A1091-A1095 WeakPolarHBondContact O-CB 3.48Å; A1091-A1095 PolarHBondContact O-N 3.06Å; I1092-A1095 WeakPolarHBondContact O-CB 3.45Å; I1092-A1095 PolarHBondContact O-N 3.07Å; A1095-I1097 VanDerWaalsContact C-N 3.33Å; A1095-I1097 PolarHBondContact O-N 2.7Å; A1095-T1098 PolarHBondContact O-N 3.1Å; A1095-T1098 VanDerWaalsContact O-N 3.12Å; A1095-T1098 PolarHBondContact O-OG1 3.27Å |
| 1096 | D | 88.5 | Confident | 82.2 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -36.7 | 179.3 | -169.8 | 59.9 | 0 | 0 | 0 | 113 | I1092 T1098 R1099 T1107 | I1092-D1096 PolarHBondContact O-N 2.67Å; D1096-T1098 VanDerWaalsContact C-N 3.29Å; D1096-T1098 PolarHBondContact O-N 2.9Å; D1096-R1099 WeakPolarHBondContact O-CB 3.23Å; D1096-R1099 PolarHBondContact O-N 2.67Å; D1096-T1107 WeakPolarHBondContact OD2-CB 3.36Å; D1096-T1107 PolarHBondContact OD2-OG1 2.9Å |
| 1097 | I | 86.1 | Confident | 82.2 | Confident | 37 Ų | 37 | 43.5 Ų | 43.5 | 19% | 0.19 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.8 | -32.5 | 175.6 | -70.5 | 165.5 | 0 | 0 | 0 | 112.1 | L1093 C1094 A1095 R1099 L1108 L1153 | L1093-I1097 WeakPolarHBondContact O-CD1 3.22Å; L1093-I1097 VanDerWaalsContact O-CG1 3.27Å; L1093-I1097 WeakPolarHBondContact O-CG1 3.47Å; L1093-I1097 PolarHBondContact O-N 2.93Å; L1093-I1097 VanDerWaalsContact O-N 3.16Å; C1094-I1097 PolarHBondContact O-N 3.14Å; A1095-I1097 VanDerWaalsContact C-N 3.33Å; A1095-I1097 PolarHBondContact O-N 2.7Å; I1097-R1099 PolarHBondContact O-N 3.21Å; I1097-L1108 HydrophobicContact CD1-CD2 4.06Å; I1097-L1153 HydrophobicContact CD1-CD2 3.3Å |
| 1098 | T | 78 | Confident | 82.2 | Confident | 75 Ų | 75 | 41.8 Ų | 41.8 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -6.9 | 178.4 | 66.4 | 0 | 0 | 0 | 0 | 113.6 | C1094 A1095 D1096 N1100 | C1094-T1098 VanDerWaalsContact O-CG2 3.31Å; C1094-T1098 WeakPolarHBondContact O-CG2 3.48Å; C1094-T1098 PolarHBondContact O-N 3.05Å; A1095-T1098 PolarHBondContact O-N 3.1Å; A1095-T1098 VanDerWaalsContact O-N 3.12Å; A1095-T1098 PolarHBondContact O-OG1 3.27Å; D1096-T1098 VanDerWaalsContact C-N 3.29Å; D1096-T1098 PolarHBondContact O-N 2.9Å; T1098-N1100 PolarHBondContact O-N 2.97Å |
| 1099 | R | 75.4 | Confident | 82.1 | Confident | 67 Ų | 67 | 43.2 Ų | 43.2 | 25% | 0.253 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -67.3 | 127.8 | 179.4 | -162.8 | 178.7 | 67 | 165.7 | -2.7 | 110.4 | V1023 D1096 I1097 T1101 | V1023-R1099 HydrophobicContact CG1-CB 4.05Å; V1023-R1099 HydrophobicContact CG1-CG 3.97Å; D1096-R1099 WeakPolarHBondContact O-CB 3.23Å; D1096-R1099 PolarHBondContact O-N 2.67Å; I1097-R1099 PolarHBondContact O-N 3.21Å; R1099-T1101 HydrophobicContact CG-CG2 4.07Å; R1099-T1101 PolarHBondContact NE-OG1 3.38Å; R1099-T1101 PolarHBondContact NH2-OG1 3.48Å; R1099-T1101 PolarHBondContact O-N 3.3Å |
| 1100 | N | 58.5 | Low | 82 | Confident | 169 Ų | 169 | 46.2 Ų | 46.2 | 90% | 0.904 | 26% | 0.258 | S | S | * | . | trans | -68.8 | 62.8 | 176.4 | -81 | -20.8 | 0 | 0 | 0 | 112.3 | T1098 | T1098-N1100 PolarHBondContact O-N 2.97Š| ||
| 1101 | T | 61.3 | Low | 81.9 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -123.6 | 150.5 | 174.2 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | R1099 V1103 P1104 | R1099-T1101 HydrophobicContact CG-CG2 4.07Å; R1099-T1101 PolarHBondContact NE-OG1 3.38Å; R1099-T1101 PolarHBondContact NH2-OG1 3.48Å; R1099-T1101 PolarHBondContact O-N 3.3Å; T1101-V1103 PolarHBondContact O-N 2.76Å; T1101-P1104 WeakPolarHBondContact O-CD 3.34Å |
| 1102 | N | 55.6 | Low | 82 | Confident | 173 Ų | 173 | 44.8 Ų | 44.8 | 93% | 0.925 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -64.8 | -3.2 | -179.1 | -70.3 | -15 | 0 | 0 | 0 | 114.3 | ||
| 1103 | V | 59.6 | Low | 81.9 | Confident | 81 Ų | 81 | 50.3 Ų | 50.3 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | trans | -133.1 | 65.8 | -178.5 | -160.9 | 0 | 0 | 0 | 0 | 111.7 | T1101 T1105 T1106 | T1101-V1103 PolarHBondContact O-N 2.76Å; V1103-T1105 VanDerWaalsContact C-N 3.31Å; V1103-T1105 PolarHBondContact O-N 3.35Å; V1103-T1106 HydrophobicContact CG1-CG2 3.3Å; V1103-T1106 PolarHBondContact O-OG1 3.08Å | ||
| 1104 | P | 65 | Low | 81.9 | Confident | 49 Ų | 49 | 52.7 Ų | 52.7 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.2 | -168.4 | 26.3 | -32.7 | 0 | 0 | 0 | 115.3 | T1101 | T1101-P1104 WeakPolarHBondContact O-CD 3.34Š|
| 1105 | T | 81.1 | Confident | 82.1 | Confident | 43 Ų | 43 | 52 Ų | 52 | 26% | 0.264 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | 8 | -170.8 | 62.9 | 0 | 0 | 0 | 0 | 115.4 | V1103 T1109 | V1103-T1105 VanDerWaalsContact C-N 3.31Å; V1103-T1105 PolarHBondContact O-N 3.35Å; T1105-T1109 WeakPolarHBondContact O-CB 3.31Å; T1105-T1109 PolarHBondContact O-N 3.35Å; T1105-T1109 PolarHBondContact O-OG1 3.41Å |
| 1106 | T | 85.3 | Confident | 82.4 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 36% | 0.362 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | -177.9 | 31.8 | 0 | 0 | 0 | 0 | 113 | V1103 T1109 N1110 | V1103-T1106 HydrophobicContact CG1-CG2 3.3Å; V1103-T1106 PolarHBondContact O-OG1 3.08Å; T1106-T1109 WeakPolarHBondContact O-CB 3.05Å; T1106-T1109 PolarHBondContact O-N 2.82Å; T1106-N1110 WeakPolarHBondContact O-CB 3.41Å; T1106-N1110 VanDerWaalsContact O-CG 3.23Å; T1106-N1110 PolarHBondContact O-N 3.24Å; T1106-N1110 PolarHBondContact O-ND2 3.23Å |
| 1107 | T | 89.2 | Confident | 82.7 | Confident | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62 | -50.6 | -179.6 | -46.8 | 0 | 0 | 0 | 0 | 110.1 | L1036 L1093 D1096 T1109 N1110 T1111 | L1036-T1107 HydrophobicContact CD2-CG2 3.7Å; L1093-T1107 HydrophobicContact CD2-CG2 4.14Å; D1096-T1107 WeakPolarHBondContact OD2-CB 3.36Å; D1096-T1107 PolarHBondContact OD2-OG1 2.9Å; T1107-T1109 VanDerWaalsContact C-N 3.33Å; T1107-T1109 PolarHBondContact O-N 2.89Å; T1107-N1110 PolarHBondContact O-N 2.83Å; T1107-N1110 VanDerWaalsContact O-N 3.16Å; T1107-T1111 WeakPolarHBondContact O-CB 3.09Å; T1107-T1111 PolarHBondContact O-N 3.01Å; T1107-T1111 PolarHBondContact O-OG1 2.66Å |
| 1108 | L | 92.9 | Very high | 83 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54 | -47.7 | 173.6 | 175.5 | 65.8 | 0 | 0 | 0 | 112.3 | L1093 I1097 N1110 T1111 V1112 I1147 L1153 H1156 | L1093-L1108 HydrophobicContact CD1-CD1 3.85Å; L1093-L1108 HydrophobicContact CD2-CB 4.36Å; I1097-L1108 HydrophobicContact CD1-CD2 4.06Å; L1108-N1110 VanDerWaalsContact C-N 3.34Å; L1108-N1110 PolarHBondContact O-N 3.29Å; L1108-T1111 PolarHBondContact O-N 2.79Å; L1108-V1112 HydrophobicContact CD1-CG2 3.86Å; L1108-V1112 HydrophobicContact CG-CG2 4.42Å; L1108-V1112 WeakPolarHBondContact O-CB 3.35Å; L1108-V1112 VanDerWaalsContact O-CG2 3.32Å; L1108-V1112 WeakPolarHBondContact O-CG2 3.41Å; L1108-V1112 PolarHBondContact O-N 3.23Å; L1108-I1147 HydrophobicContact CD1-CG2 3.81Å; L1108-L1153 HydrophobicContact CD1-CD1 4.5Å; L1108-L1153 HydrophobicContact CD2-CD2 4.5Å; L1108-H1156 HydrophobicContact CD2-CB 3.51Å |
| 1109 | T | 90.6 | Very high | 83.8 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 178.5 | -71.2 | 0 | 0 | 0 | 0 | 111 | T1105 T1106 T1107 Y1113 K1159 Y1160 | T1105-T1109 WeakPolarHBondContact O-CB 3.31Å; T1105-T1109 PolarHBondContact O-N 3.35Å; T1105-T1109 PolarHBondContact O-OG1 3.41Å; T1106-T1109 WeakPolarHBondContact O-CB 3.05Å; T1106-T1109 PolarHBondContact O-N 2.82Å; T1107-T1109 VanDerWaalsContact C-N 3.33Å; T1107-T1109 PolarHBondContact O-N 2.89Å; T1109-Y1113 VanDerWaalsContact O-CB 3.29Å; T1109-Y1113 WeakPolarHBondContact O-CB 3.47Å; T1109-Y1113 PolarHBondContact O-N 2.71Å; T1109-K1159 PolarHBondContact OG1-NZ 3.4Å; T1109-K1159 VanDerWaalsContact OG1-NZ 3.07Å; T1109-Y1160 WeakPolarHBondContact CA-OH 3.48Å; T1109-Y1160 WeakPolarHBondContact CB-OH 3.44Å; T1109-Y1160 WeakPolarHBondContact CG2-OH 3.4Å; T1109-Y1160 PolarHBondContact O-OH 3.42Å; T1109-Y1160 VanDerWaalsContact O-OH 3.05Å |
| 1110 | N | 91.1 | Very high | 84.7 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 34% | 0.342 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.8 | -42.3 | -178.8 | -70.1 | -15 | 0 | 0 | 0 | 111.7 | L1044 T1106 T1107 L1108 W1114 | L1044-N1110 HydrophobicContact CD2-CB 4Å; T1106-N1110 WeakPolarHBondContact O-CB 3.41Å; T1106-N1110 VanDerWaalsContact O-CG 3.23Å; T1106-N1110 PolarHBondContact O-N 3.24Å; T1106-N1110 PolarHBondContact O-ND2 3.23Å; T1107-N1110 PolarHBondContact O-N 2.83Å; T1107-N1110 VanDerWaalsContact O-N 3.16Å; L1108-N1110 VanDerWaalsContact C-N 3.34Å; L1108-N1110 PolarHBondContact O-N 3.29Å; N1110-W1114 WeakPolarHBondContact O-CB 3.44Å; N1110-W1114 PolarHBondContact O-N 2.83Å |
| 1111 | T | 94.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 177.8 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | L1036 T1040 L1093 T1107 L1108 Y1113 W1114 L1115 I1147 | L1036-T1111 HydrophobicContact CD1-CG2 4.38Å; T1040-T1111 HydrophobicContact CG2-CG2 4.21Å; L1093-T1111 HydrophobicContact CD1-CG2 4.37Å; T1107-T1111 WeakPolarHBondContact O-CB 3.09Å; T1107-T1111 PolarHBondContact O-N 3.01Å; T1107-T1111 PolarHBondContact O-OG1 2.66Å; L1108-T1111 PolarHBondContact O-N 2.79Å; T1111-Y1113 PolarHBondContact O-N 3.28Å; T1111-W1114 PolarHBondContact O-N 3.4Å; T1111-L1115 HydrophobicContact CG2-CD1 3.77Å; T1111-L1115 HydrophobicContact CG2-CG 4.31Å; T1111-L1115 WeakPolarHBondContact O-CB 3.15Å; T1111-L1115 VanDerWaalsContact O-CG 3.26Å; T1111-L1115 WeakPolarHBondContact O-CG 3.09Å; T1111-L1115 PolarHBondContact O-N 3.42Å; T1111-I1147 HydrophobicContact CG2-CD1 4.36Å |
| 1112 | V | 95.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 178.4 | 171.6 | 0 | 0 | 0 | 0 | 111 | L1108 W1114 L1116 I1147 F1148 T1157 Y1160 | L1108-V1112 HydrophobicContact CD1-CG2 3.86Å; L1108-V1112 HydrophobicContact CG-CG2 4.42Å; L1108-V1112 WeakPolarHBondContact O-CB 3.35Å; L1108-V1112 VanDerWaalsContact O-CG2 3.32Å; L1108-V1112 WeakPolarHBondContact O-CG2 3.41Å; L1108-V1112 PolarHBondContact O-N 3.23Å; V1112-W1114 PolarHBondContact O-N 3.2Å; V1112-L1116 HydrophobicContact CG1-CD1 4.17Å; V1112-L1116 WeakPolarHBondContact O-CG 3.31Å; V1112-L1116 PolarHBondContact O-N 3.27Å; V1112-L1116 VanDerWaalsContact O-N 3.08Å; V1112-I1147 HydrophobicContact CG2-CD1 4.27Å; V1112-I1147 HydrophobicContact CG2-CG2 3.92Å; V1112-F1148 HydrophobicContact CG1-CE2 4.37Å; V1112-T1157 HydrophobicContact CG2-CG2 4.4Å; V1112-Y1160 HydrophobicContact CB-CD2 4.32Å; V1112-Y1160 HydrophobicContact CB-CE2 4.21Å; V1112-Y1160 HydrophobicContact CG1-CD1 4.01Å; V1112-Y1160 HydrophobicContact CG1-CD2 3.58Å; V1112-Y1160 HydrophobicContact CG1-CE1 4.35Å; V1112-Y1160 HydrophobicContact CG1-CE2 3.95Å; V1112-Y1160 HydrophobicContact CG1-CG 3.6Å |
| 1113 | Y | 94.2 | Very high | 89.2 | Confident | 118 Ų | 118 | 41.9 Ų | 41.9 | 46% | 0.463 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60 | -46.5 | 176.5 | 175.1 | -104.3 | 0 | 0 | 0 | 111.9 | T1109 T1111 L1116 K1117 | T1109-Y1113 VanDerWaalsContact O-CB 3.29Å; T1109-Y1113 WeakPolarHBondContact O-CB 3.47Å; T1109-Y1113 PolarHBondContact O-N 2.71Å; T1111-Y1113 PolarHBondContact O-N 3.28Å; Y1113-L1116 PolarHBondContact O-N 2.79Å; Y1113-K1117 WeakPolarHBondContact O-CB 3.43Å; Y1113-K1117 PolarHBondContact O-N 3.14Å |
| 1114 | W | 94.5 | Very high | 90.5 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -43.2 | -178.8 | -175.6 | 94.3 | 0 | 0 | 0 | 112.3 | T1040 G1041 Q1042 N1110 T1111 V1112 L1116 K1117 S1118 H1140 | T1040-W1114 WeakPolarHBondContact O-CH2 3.08Å; T1040-W1114 WeakPolarHBondContact O-CZ3 3.5Å; G1041-W1114 WeakPolarHBondContact O-CZ2 3.37Å; Q1042-W1114 HydrophobicContact CB-CD2 3.84Å; Q1042-W1114 HydrophobicContact CB-CE3 4.39Å; Q1042-W1114 HydrophobicContact CB-CG 4.02Å; Q1042-W1114 HydrophobicContact CB-CZ2 4.47Å; Q1042-W1114 HydrophobicContact CG-CB 4.39Å; Q1042-W1114 HydrophobicContact CG-CD2 4.16Å; Q1042-W1114 HydrophobicContact CG-CG 3.78Å; N1110-W1114 WeakPolarHBondContact O-CB 3.44Å; N1110-W1114 PolarHBondContact O-N 2.83Å; T1111-W1114 PolarHBondContact O-N 3.4Å; V1112-W1114 PolarHBondContact O-N 3.2Å; W1114-L1116 PolarHBondContact O-N 3.01Å; W1114-K1117 PolarHBondContact O-N 2.98Å; W1114-S1118 WeakPolarHBondContact O-CB 3.16Å; W1114-S1118 PolarHBondContact O-N 2.83Å; W1114-H1140 AromaticContact CH2-CE1 3.32Å; W1114-H1140 WeakPolarHBondContact CH2-CE1 3.28Å; W1114-H1140 AromaticContact CH2-NE2 3.83Å; W1114-H1140 AromaticContact CZ3-CE1 3.43Å; W1114-H1140 VanDerWaalsContact CZ3-CE1 3.43Å; W1114-H1140 WeakPolarHBondContact CZ3-CE1 3.24Å; W1114-H1140 AromaticContact CZ3-ND1 3.89Å; W1114-H1140 AromaticContact CZ3-NE2 3.72Å |
| 1115 | L | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.6 | -73.3 | 168.1 | 0 | 0 | 0 | 111.5 | T1040 T1111 K1117 S1118 V1119 H1140 I1143 I1144 I1147 | T1040-L1115 HydrophobicContact CG2-CD2 4.27Å; T1111-L1115 HydrophobicContact CG2-CD1 3.77Å; T1111-L1115 HydrophobicContact CG2-CG 4.31Å; T1111-L1115 WeakPolarHBondContact O-CB 3.15Å; T1111-L1115 VanDerWaalsContact O-CG 3.26Å; T1111-L1115 WeakPolarHBondContact O-CG 3.09Å; T1111-L1115 PolarHBondContact O-N 3.42Å; L1115-K1117 VanDerWaalsContact C-N 3.34Å; L1115-K1117 PolarHBondContact O-N 3.14Å; L1115-S1118 PolarHBondContact O-N 3.27Å; L1115-V1119 WeakPolarHBondContact O-CG2 3.29Å; L1115-V1119 PolarHBondContact O-N 3.33Å; L1115-H1140 HydrophobicContact CD2-CB 3.83Å; L1115-I1143 HydrophobicContact CD1-CB 4.43Å; L1115-I1143 HydrophobicContact CD1-CG2 3.65Å; L1115-I1143 HydrophobicContact CD2-CG2 4.36Å; L1115-I1144 HydrophobicContact CB-CB 4.32Å; L1115-I1144 HydrophobicContact CB-CD1 4.23Å; L1115-I1144 HydrophobicContact CD1-CB 4.24Å; L1115-I1147 HydrophobicContact CD1-CD1 3.79Å |
| 1116 | L | 97 | Very high | 91.4 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 174.9 | -73.5 | 172.8 | 0 | 0 | 0 | 111.7 | V1112 Y1113 W1114 K1120 I1144 Y1160 K1163 A1164 V1167 | V1112-L1116 HydrophobicContact CG1-CD1 4.17Å; V1112-L1116 WeakPolarHBondContact O-CG 3.31Å; V1112-L1116 PolarHBondContact O-N 3.27Å; V1112-L1116 VanDerWaalsContact O-N 3.08Å; Y1113-L1116 PolarHBondContact O-N 2.79Å; W1114-L1116 PolarHBondContact O-N 3.01Å; L1116-K1120 VanDerWaalsContact O-CB 3.3Å; L1116-K1120 WeakPolarHBondContact O-CB 3.47Å; L1116-K1120 PolarHBondContact O-N 2.98Å; L1116-I1144 HydrophobicContact CB-CD1 4.47Å; L1116-I1144 HydrophobicContact CD1-CD1 4.33Å; L1116-I1144 HydrophobicContact CD2-CD1 3.27Å; L1116-I1144 HydrophobicContact CG-CD1 3.38Å; L1116-Y1160 HydrophobicContact CD1-CD1 4.19Å; L1116-K1163 HydrophobicContact CD1-CB 4.11Å; L1116-A1164 HydrophobicContact CD2-CB 4.16Å; L1116-V1167 HydrophobicContact CD2-CB 4.17Å; L1116-V1167 HydrophobicContact CD2-CG1 4.37Å; L1116-V1167 HydrophobicContact CD2-CG2 4.15Å |
| 1117 | K | 94.6 | Very high | 90.9 | Very high | 121 Ų | 121 | 44.6 Ų | 44.6 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 177.2 | -175.6 | 179.9 | 178.2 | -177.3 | 0 | 110.9 | Y1113 W1114 L1115 K1120 T1121 | Y1113-K1117 WeakPolarHBondContact O-CB 3.43Å; Y1113-K1117 PolarHBondContact O-N 3.14Å; W1114-K1117 PolarHBondContact O-N 2.98Å; L1115-K1117 VanDerWaalsContact C-N 3.34Å; L1115-K1117 PolarHBondContact O-N 3.14Å; K1117-K1120 PolarHBondContact O-N 3.5Å; K1117-T1121 PolarHBondContact O-N 3.26Å; K1117-T1121 PolarHBondContact O-OG1 2.96Å; K1117-T1121 VanDerWaalsContact O-OG1 3.1Å |
| 1118 | S | 92.8 | Very high | 90.1 | Very high | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.7 | -48.7 | -178.8 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | W1114 L1115 K1120 T1121 S1122 H1140 | W1114-S1118 WeakPolarHBondContact O-CB 3.16Å; W1114-S1118 PolarHBondContact O-N 2.83Å; L1115-S1118 PolarHBondContact O-N 3.27Å; S1118-K1120 VanDerWaalsContact C-N 3.33Å; S1118-K1120 PolarHBondContact O-N 3.37Å; S1118-T1121 PolarHBondContact O-N 3.45Å; S1118-S1122 PolarHBondContact O-N 2.79Å; S1118-S1122 PolarHBondContact O-OG 3.49Å; S1118-H1140 PolarHBondContact OG-CE1 3.2Å; S1118-H1140 PolarHBondContact OG-ND1 3.23Å |
| 1119 | V | 94.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.6 | 174 | 0 | 0 | 0 | 0 | 110.3 | L1115 T1121 S1122 L1123 H1140 L1141 V1167 | L1115-V1119 WeakPolarHBondContact O-CG2 3.29Å; L1115-V1119 PolarHBondContact O-N 3.33Å; V1119-T1121 PolarHBondContact O-N 2.92Å; V1119-S1122 PolarHBondContact O-N 2.93Å; V1119-S1122 VanDerWaalsContact O-N 3.17Å; V1119-L1123 HydrophobicContact CG1-CD1 4Å; V1119-L1123 HydrophobicContact CG1-CG 4.33Å; V1119-L1123 WeakPolarHBondContact O-CG 3.24Å; V1119-L1123 PolarHBondContact O-N 3.2Å; V1119-H1140 HydrophobicContact CG2-CB 3.61Å; V1119-L1141 HydrophobicContact CG1-CD1 4.45Å; V1119-L1141 HydrophobicContact CG1-CD2 3.78Å; V1119-L1141 HydrophobicContact CG1-CG 3.95Å; V1119-L1141 HydrophobicContact CG2-CD2 4.37Å; V1119-L1141 HydrophobicContact CG2-CG 4.09Å; V1119-V1167 HydrophobicContact CB-CG1 4.06Å; V1119-V1167 HydrophobicContact CG1-CG1 3.55Å |
| 1120 | K | 94.2 | Very high | 88.7 | Confident | 108 Ų | 108 | 58.5 Ų | 58.5 | 47% | 0.47 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 178.2 | -173.1 | 170.4 | -177.1 | 174.3 | 0 | 112.1 | L1116 K1117 S1118 S1122 L1123 C1124 V1167 | L1116-K1120 VanDerWaalsContact O-CB 3.3Å; L1116-K1120 WeakPolarHBondContact O-CB 3.47Å; L1116-K1120 PolarHBondContact O-N 2.98Å; K1117-K1120 PolarHBondContact O-N 3.5Å; S1118-K1120 VanDerWaalsContact C-N 3.33Å; S1118-K1120 PolarHBondContact O-N 3.37Å; K1120-S1122 PolarHBondContact O-N 2.88Å; K1120-L1123 PolarHBondContact O-N 3.45Å; K1120-C1124 PolarHBondContact O-N 2.64Å; K1120-C1124 VanDerWaalsContact O-N 3.09Å; K1120-C1124 PolarHBondContact O-SG 3.44Å; K1120-C1124 VanDerWaalsContact O-SG 3.34Å; K1120-V1167 HydrophobicContact CB-CG2 4.35Å |
| 1121 | T | 91.7 | Very high | 87.9 | Confident | 75 Ų | 75 | 58.6 Ų | 58.6 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.1 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | K1117 S1118 V1119 L1123 C1124 N1125 | K1117-T1121 PolarHBondContact O-N 3.26Å; K1117-T1121 PolarHBondContact O-OG1 2.96Å; K1117-T1121 VanDerWaalsContact O-OG1 3.1Å; S1118-T1121 PolarHBondContact O-N 3.45Å; V1119-T1121 PolarHBondContact O-N 2.92Å; T1121-L1123 VanDerWaalsContact C-N 3.29Å; T1121-L1123 PolarHBondContact O-N 3.31Å; T1121-C1124 PolarHBondContact O-N 2.94Å; T1121-C1124 VanDerWaalsContact O-N 3.13Å; T1121-N1125 PolarHBondContact O-N 3Å; T1121-N1125 VanDerWaalsContact O-N 3.15Å; T1121-N1125 PolarHBondContact O-OD1 3.02Å; T1121-N1125 VanDerWaalsContact O-OD1 3.13Å |
| 1122 | S | 89.5 | Confident | 87 | Confident | 8 Ų | 8 | 64.7 Ų | 64.7 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.4 | -33.5 | 176.9 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | S1118 V1119 K1120 R1130 | S1118-S1122 PolarHBondContact O-N 2.79Å; S1118-S1122 PolarHBondContact O-OG 3.49Å; V1119-S1122 PolarHBondContact O-N 2.93Å; V1119-S1122 VanDerWaalsContact O-N 3.17Å; K1120-S1122 PolarHBondContact O-N 2.88Å; S1122-R1130 PolarHBondContact O-NE 2.74Å |
| 1123 | L | 90 | Very high | 86.3 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.5 | -35.5 | 174.4 | -67.5 | 172.1 | 0 | 0 | 0 | 111.9 | V1119 K1120 T1121 R1130 V1167 D1170 C1174 I1179 | V1119-L1123 HydrophobicContact CG1-CD1 4Å; V1119-L1123 HydrophobicContact CG1-CG 4.33Å; V1119-L1123 WeakPolarHBondContact O-CG 3.24Å; V1119-L1123 PolarHBondContact O-N 3.2Å; K1120-L1123 PolarHBondContact O-N 3.45Å; T1121-L1123 VanDerWaalsContact C-N 3.29Å; T1121-L1123 PolarHBondContact O-N 3.31Å; L1123-R1130 PolarHBondContact O-NH2 3.42Å; L1123-V1167 HydrophobicContact CD1-CG1 4.47Å; L1123-D1170 HydrophobicContact CD1-CB 3.98Å; L1123-C1174 HydrophobicContact CD2-CB 4.26Å; L1123-I1179 HydrophobicContact CD2-CG2 3.71Å |
| 1124 | C | 87.2 | Confident | 85.8 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -77.4 | -15.3 | 177.9 | -64.3 | 0 | 0 | 0 | 0 | 114.5 | K1120 T1121 | K1120-C1124 PolarHBondContact O-N 2.64Å; K1120-C1124 VanDerWaalsContact O-N 3.09Å; K1120-C1124 PolarHBondContact O-SG 3.44Å; K1120-C1124 VanDerWaalsContact O-SG 3.34Å; T1121-C1124 PolarHBondContact O-N 2.94Å; T1121-C1124 VanDerWaalsContact O-N 3.13Å |
| 1125 | N | 86.3 | Confident | 85.2 | Confident | 41 Ų | 41 | 62 Ų | 62 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -66 | 152.6 | 179.7 | -74.8 | -7.5 | 0 | 0 | 0 | 112.9 | T1121 Q1129 R1130 | T1121-N1125 PolarHBondContact O-N 3Å; T1121-N1125 VanDerWaalsContact O-N 3.15Å; T1121-N1125 PolarHBondContact O-OD1 3.02Å; T1121-N1125 VanDerWaalsContact O-OD1 3.13Å; N1125-Q1129 HydrophobicContact CB-CB 3.92Å; N1125-R1130 PolarHBondContact O-NH2 3.01Å; N1125-R1130 VanDerWaalsContact O-NH2 3.11Å |
| 1126 | S | 77.3 | Confident | 84.7 | Confident | 64 Ų | 64 | 66 Ų | 66 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | trans | -59.4 | 154.4 | 169.5 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | R1128 Q1129 R1130 | S1126-R1128 VanDerWaalsContact C-N 3.25Å; S1126-R1128 PolarHBondContact O-N 3.4Å; S1126-R1128 VanDerWaalsContact O-N 3.15Å; S1126-Q1129 PolarHBondContact O-N 2.78Å; S1126-Q1129 WeakPolarHBondContact OG-CG 3.17Å; S1126-Q1129 PolarHBondContact OG-OE1 2.91Å; S1126-Q1129 VanDerWaalsContact OG-OE1 3.07Å; S1126-R1130 PolarHBondContact O-N 2.92Å | ||
| 1127 | D | 75.8 | Confident | 84.4 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.7 | -37.6 | -175.2 | -71.2 | -22.7 | 0 | 0 | 0 | 112.7 | R1130 S1131 R1175 | D1127-R1130 PolarHBondContact O-N 3.07Å; D1127-R1130 IonicContact OD1-CZ 3.6Å; D1127-R1130 IonicContact OD1-NH1 2.72Å; D1127-R1130 PolarHBondContact OD1-NH1 2.82Å; D1127-R1130 VanDerWaalsContact OD1-NH1 3.1Å; D1127-S1131 PolarHBondContact O-N 2.98Å; D1127-S1131 PolarHBondContact O-OG 3.2Å; D1127-R1175 IonicContact OD2-NH1 2.71Å |
| 1128 | R | 73.4 | Confident | 84.1 | Confident | 213 Ų | 213 | 60 Ų | 60 | 80% | 0.804 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.2 | -39.2 | 174.4 | -68.2 | -175.2 | -177.9 | 179.7 | 0.6 | 113.5 | S1126 R1130 S1131 N1132 | S1126-R1128 VanDerWaalsContact C-N 3.25Å; S1126-R1128 PolarHBondContact O-N 3.4Å; S1126-R1128 VanDerWaalsContact O-N 3.15Å; R1128-R1130 VanDerWaalsContact C-N 3.35Å; R1128-S1131 PolarHBondContact O-OG 3.33Å; R1128-N1132 VanDerWaalsContact O-CG 3.31Å; R1128-N1132 PolarHBondContact O-N 3.26Å; R1128-N1132 PolarHBondContact O-OD1 2.72Å |
| 1129 | Q | 76.7 | Confident | 83.9 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 48% | 0.477 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -74.8 | -29.7 | 177.6 | -75.4 | 171.3 | -25.7 | 0 | 0 | 111.8 | N1125 S1126 N1133 | N1125-Q1129 HydrophobicContact CB-CB 3.92Å; S1126-Q1129 PolarHBondContact O-N 2.78Å; S1126-Q1129 WeakPolarHBondContact OG-CG 3.17Å; S1126-Q1129 PolarHBondContact OG-OE1 2.91Å; S1126-Q1129 VanDerWaalsContact OG-OE1 3.07Å; Q1129-N1133 PolarHBondContact O-N 3.17Å; Q1129-N1133 PolarHBondContact O-ND2 3.14Å |
| 1130 | R | 76.7 | Confident | 83.8 | Confident | 26 Ų | 26 | 60.8 Ų | 60.8 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.1 | -40.5 | 176.2 | -166.8 | -173.2 | -64.9 | 139.2 | 4.4 | 111.4 | S1122 L1123 N1125 S1126 D1127 R1128 N1132 N1133 L1134 D1176 I1179 | S1122-R1130 PolarHBondContact O-NE 2.74Å; L1123-R1130 PolarHBondContact O-NH2 3.42Å; N1125-R1130 PolarHBondContact O-NH2 3.01Å; N1125-R1130 VanDerWaalsContact O-NH2 3.11Å; S1126-R1130 PolarHBondContact O-N 2.92Å; D1127-R1130 PolarHBondContact O-N 3.07Å; D1127-R1130 IonicContact OD1-CZ 3.6Å; D1127-R1130 IonicContact OD1-NH1 2.72Å; D1127-R1130 PolarHBondContact OD1-NH1 2.82Å; D1127-R1130 VanDerWaalsContact OD1-NH1 3.1Å; R1128-R1130 VanDerWaalsContact C-N 3.35Å; R1130-N1132 VanDerWaalsContact C-N 3.26Å; R1130-N1132 PolarHBondContact O-N 3.45Å; R1130-N1133 CarbonylContact O-C 3.52Å; R1130-N1133 PolarHBondContact O-N 3.25Å; R1130-L1134 WeakPolarHBondContact O-CA 3.39Å; R1130-L1134 PolarHBondContact O-N 3.04Å; R1130-D1176 WeakPolarHBondContact CD-OD2 3.11Å; R1130-D1176 IonicContact NH1-OD2 3.58Å; R1130-D1176 PolarHBondContact NH1-OD2 3.35Å; R1130-I1179 HydrophobicContact CG-CD1 3.82Å |
| 1131 | S | 74.3 | Confident | 83.8 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 173.9 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | D1127 R1128 N1133 L1134 | D1127-S1131 PolarHBondContact O-N 2.98Å; D1127-S1131 PolarHBondContact O-OG 3.2Å; R1128-S1131 PolarHBondContact O-OG 3.33Å; S1131-N1133 VanDerWaalsContact C-N 3.27Å; S1131-N1133 PolarHBondContact O-N 3.08Å; S1131-L1134 WeakPolarHBondContact O-CB 3.47Å; S1131-L1134 PolarHBondContact O-N 3.03Å |
| 1132 | N | 75.5 | Confident | 83.8 | Confident | 129 Ų | 129 | 53.6 Ų | 53.6 | 69% | 0.69 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -69.7 | -21.7 | 177.7 | -65.6 | -1.5 | 0 | 0 | 0 | 113.6 | R1128 R1130 | R1128-N1132 VanDerWaalsContact O-CG 3.31Å; R1128-N1132 PolarHBondContact O-N 3.26Å; R1128-N1132 PolarHBondContact O-OD1 2.72Å; R1130-N1132 VanDerWaalsContact C-N 3.26Å; R1130-N1132 PolarHBondContact O-N 3.45Å |
| 1133 | N | 79.8 | Confident | 83.9 | Confident | 62 Ų | 62 | 53.2 Ų | 53.2 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 16.8 | -179.9 | -69.2 | -68 | 0 | 0 | 0 | 112.7 | Q1129 R1130 S1131 S1135 K1136 C1137 | Q1129-N1133 PolarHBondContact O-N 3.17Å; Q1129-N1133 PolarHBondContact O-ND2 3.14Å; R1130-N1133 CarbonylContact O-C 3.52Å; R1130-N1133 PolarHBondContact O-N 3.25Å; S1131-N1133 VanDerWaalsContact C-N 3.27Å; S1131-N1133 PolarHBondContact O-N 3.08Å; N1133-S1135 PolarHBondContact O-N 3.04Å; N1133-K1136 PolarHBondContact O-N 3.22Å; N1133-C1137 WeakPolarHBondContact O-CB 3.43Å; N1133-C1137 PolarHBondContact O-N 2.98Å |
| 1134 | L | 84.7 | Confident | 84.2 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -48.1 | -170.3 | 175.9 | 58.9 | 0 | 0 | 0 | 111.3 | I1078 R1130 S1131 C1137 V1138 D1176 I1179 | I1078-L1134 HydrophobicContact CD1-CD2 3.62Å; I1078-L1134 HydrophobicContact CD1-CG 4.03Å; R1130-L1134 WeakPolarHBondContact O-CA 3.39Å; R1130-L1134 PolarHBondContact O-N 3.04Å; S1131-L1134 WeakPolarHBondContact O-CB 3.47Å; S1131-L1134 PolarHBondContact O-N 3.03Å; L1134-C1137 PolarHBondContact O-N 3.1Å; L1134-V1138 HydrophobicContact CD1-CG2 4.26Å; L1134-V1138 WeakPolarHBondContact O-CG2 3.4Å; L1134-V1138 PolarHBondContact O-N 3.18Å; L1134-D1176 HydrophobicContact CD1-CB 4.24Å; L1134-I1179 HydrophobicContact CD1-CD1 3.61Å; L1134-I1179 HydrophobicContact CD1-CG1 3.58Å |
| 1135 | S | 80.9 | Confident | 84.5 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.9 | -50.5 | 177.4 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | E1076 N1133 C1137 V1138 L1139 | E1076-S1135 VanDerWaalsContact CD-OG 3.24Å; E1076-S1135 WeakPolarHBondContact OE2-CB 3.15Å; E1076-S1135 PolarHBondContact OE2-OG 2.93Å; N1133-S1135 PolarHBondContact O-N 3.04Å; S1135-C1137 PolarHBondContact O-N 3.43Å; S1135-V1138 PolarHBondContact O-N 3.33Å; S1135-L1139 WeakPolarHBondContact O-CB 3.31Å; S1135-L1139 PolarHBondContact O-N 2.87Å |
| 1136 | K | 86.1 | Confident | 84.8 | Confident | 84 Ų | 84 | 48.5 Ų | 48.5 | 37% | 0.365 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 177.7 | -175.4 | 169.3 | -177.4 | 167.3 | 0 | 112.8 | N1133 L1139 H1140 | N1133-K1136 PolarHBondContact O-N 3.22Å; K1136-L1139 PolarHBondContact O-N 3.36Å; K1136-H1140 VanDerWaalsContact CE-CE1 3.43Å; K1136-H1140 WeakPolarHBondContact CE-CE1 3.29Å; K1136-H1140 VanDerWaalsContact CG-CE1 3.47Å; K1136-H1140 WeakPolarHBondContact CG-CE1 3.46Å; K1136-H1140 PolarHBondContact O-CD2 3.29Å; K1136-H1140 VanDerWaalsContact O-CG 3.28Å; K1136-H1140 PolarHBondContact O-N 3.39Å |
| 1137 | C | 90 | Very high | 85.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 178.8 | -175 | 0 | 0 | 0 | 0 | 112 | N1133 L1134 S1135 L1139 H1140 L1141 I1179 | N1133-C1137 WeakPolarHBondContact O-CB 3.43Å; N1133-C1137 PolarHBondContact O-N 2.98Å; L1134-C1137 PolarHBondContact O-N 3.1Å; S1135-C1137 PolarHBondContact O-N 3.43Å; C1137-L1139 VanDerWaalsContact C-N 3.33Å; C1137-L1139 PolarHBondContact O-N 3.49Å; C1137-H1140 PolarHBondContact O-N 2.99Å; C1137-L1141 PolarHBondContact O-N 3.22Å; C1137-I1179 HydrophobicContact CB-CD1 4.29Å; C1137-I1179 HydrophobicContact CB-CG1 4.48Å |
| 1138 | V | 89.3 | Confident | 86.6 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.03 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 177.1 | 166.8 | 0 | 0 | 0 | 0 | 111.3 | I1078 L1134 S1135 L1141 N1142 I1179 S1182 | I1078-V1138 HydrophobicContact CG2-CG1 4.35Å; I1078-V1138 HydrophobicContact CG2-CG2 4.2Å; I1078-V1138 WeakPolarHBondContact O-CG1 3.38Å; L1134-V1138 HydrophobicContact CD1-CG2 4.26Å; L1134-V1138 WeakPolarHBondContact O-CG2 3.4Å; L1134-V1138 PolarHBondContact O-N 3.18Å; S1135-V1138 PolarHBondContact O-N 3.33Å; V1138-L1141 PolarHBondContact O-N 3.25Å; V1138-N1142 PolarHBondContact O-N 2.74Å; V1138-N1142 VanDerWaalsContact O-N 3.08Å; V1138-N1142 PolarHBondContact O-ND2 3.03Å; V1138-I1179 HydrophobicContact CG2-CG1 3.96Å; V1138-S1182 WeakPolarHBondContact CG1-OG 3.46Å |
| 1139 | L | 88.4 | Confident | 87.4 | Confident | 34 Ų | 34 | 37 Ų | 37 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -50.3 | 174.8 | 176.7 | 61.7 | 0 | 0 | 0 | 111.4 | Y1085 S1135 K1136 C1137 L1141 N1142 I1143 | Y1085-L1139 HydrophobicContact CD1-CD1 3.72Å; Y1085-L1139 HydrophobicContact CD1-CD2 4.17Å; Y1085-L1139 HydrophobicContact CD2-CD1 4.18Å; Y1085-L1139 HydrophobicContact CE1-CD1 4.39Å; Y1085-L1139 HydrophobicContact CE1-CD2 4.29Å; Y1085-L1139 HydrophobicContact CG-CD1 3.59Å; S1135-L1139 WeakPolarHBondContact O-CB 3.31Å; S1135-L1139 PolarHBondContact O-N 2.87Å; K1136-L1139 PolarHBondContact O-N 3.36Å; C1137-L1139 VanDerWaalsContact C-N 3.33Å; C1137-L1139 PolarHBondContact O-N 3.49Å; L1139-L1141 VanDerWaalsContact C-N 3.33Å; L1139-L1141 PolarHBondContact O-N 3.07Å; L1139-N1142 PolarHBondContact O-N 2.82Å; L1139-N1142 VanDerWaalsContact O-N 3.1Å; L1139-I1143 HydrophobicContact CD1-CD1 3.9Å; L1139-I1143 HydrophobicContact CD1-CG1 4.14Å; L1139-I1143 HydrophobicContact CD2-CD1 4.41Å; L1139-I1143 HydrophobicContact CG-CD1 3.77Å; L1139-I1143 HydrophobicContact CG-CG1 4.4Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.3Å; L1139-I1143 PolarHBondContact O-N 2.98Å |
| 1140 | H | 92.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 179.8 | -66.2 | 171.2 | 0 | 0 | 0 | 113 | T1040 W1114 L1115 S1118 V1119 K1136 C1137 N1142 I1143 I1144 | T1040-H1140 PolarHBondContact O-NE2 3.3Å; T1040-H1140 VanDerWaalsContact O-NE2 3.07Å; W1114-H1140 AromaticContact CH2-CE1 3.32Å; W1114-H1140 WeakPolarHBondContact CH2-CE1 3.28Å; W1114-H1140 AromaticContact CH2-NE2 3.83Å; W1114-H1140 AromaticContact CZ3-CE1 3.43Å; W1114-H1140 VanDerWaalsContact CZ3-CE1 3.43Å; W1114-H1140 WeakPolarHBondContact CZ3-CE1 3.24Å; W1114-H1140 AromaticContact CZ3-ND1 3.89Å; W1114-H1140 AromaticContact CZ3-NE2 3.72Å; L1115-H1140 HydrophobicContact CD2-CB 3.83Å; S1118-H1140 PolarHBondContact OG-CE1 3.2Å; S1118-H1140 PolarHBondContact OG-ND1 3.23Å; V1119-H1140 HydrophobicContact CG2-CB 3.61Å; K1136-H1140 VanDerWaalsContact CE-CE1 3.43Å; K1136-H1140 WeakPolarHBondContact CE-CE1 3.29Å; K1136-H1140 VanDerWaalsContact CG-CE1 3.47Å; K1136-H1140 WeakPolarHBondContact CG-CE1 3.46Å; K1136-H1140 PolarHBondContact O-CD2 3.29Å; K1136-H1140 VanDerWaalsContact O-CG 3.28Å; K1136-H1140 PolarHBondContact O-N 3.39Å; C1137-H1140 PolarHBondContact O-N 2.99Å; H1140-N1142 VanDerWaalsContact C-N 3.3Å; H1140-N1142 PolarHBondContact O-N 3.47Å; H1140-I1143 PolarHBondContact O-N 3.36Å; H1140-I1144 WeakPolarHBondContact O-CB 3.49Å; H1140-I1144 VanDerWaalsContact O-CG2 3.26Å; H1140-I1144 WeakPolarHBondContact O-CG2 3.41Å; H1140-I1144 PolarHBondContact O-N 3.46Å |
| 1141 | L | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.5 | -40.8 | 173.2 | -81.8 | 166.6 | 0 | 0 | 0 | 111.9 | V1119 C1137 V1138 L1139 I1144 R1145 I1179 S1183 F1186 | V1119-L1141 HydrophobicContact CG1-CD1 4.45Å; V1119-L1141 HydrophobicContact CG1-CD2 3.78Å; V1119-L1141 HydrophobicContact CG1-CG 3.95Å; V1119-L1141 HydrophobicContact CG2-CD2 4.37Å; V1119-L1141 HydrophobicContact CG2-CG 4.09Å; C1137-L1141 PolarHBondContact O-N 3.22Å; V1138-L1141 PolarHBondContact O-N 3.25Å; L1139-L1141 VanDerWaalsContact C-N 3.33Å; L1139-L1141 PolarHBondContact O-N 3.07Å; L1141-I1144 WeakPolarHBondContact O-CG2 3.39Å; L1141-R1145 WeakPolarHBondContact O-CB 3.41Å; L1141-R1145 PolarHBondContact O-N 3.24Å; L1141-I1179 HydrophobicContact CD1-CG2 4Å; L1141-S1183 WeakPolarHBondContact CD1-OG 3.35Å; L1141-F1186 HydrophobicContact CD2-CD1 4.07Å |
| 1142 | N | 91.4 | Very high | 89 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72 | -41.1 | 177.2 | -73.2 | -44.7 | 0 | 0 | 0 | 112.4 | P1086 V1138 L1139 H1140 R1145 G1146 | P1086-N1142 HydrophobicContact CG-CB 4.21Å; P1086-N1142 WeakPolarHBondContact CG-O 3.26Å; V1138-N1142 PolarHBondContact O-N 2.74Å; V1138-N1142 VanDerWaalsContact O-N 3.08Å; V1138-N1142 PolarHBondContact O-ND2 3.03Å; L1139-N1142 PolarHBondContact O-N 2.82Å; L1139-N1142 VanDerWaalsContact O-N 3.1Å; H1140-N1142 VanDerWaalsContact C-N 3.3Å; H1140-N1142 PolarHBondContact O-N 3.47Å; N1142-R1145 PolarHBondContact O-N 2.76Å; N1142-G1146 PolarHBondContact O-N 3Å |
| 1143 | I | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -51.7 | 176.8 | -68.2 | 168.5 | 0 | 0 | 0 | 110 | I1039 V1089 L1115 L1139 H1140 R1145 G1146 I1147 | I1039-I1143 HydrophobicContact CG2-CD1 3.71Å; V1089-I1143 HydrophobicContact CB-CG2 3.96Å; V1089-I1143 HydrophobicContact CG1-CG2 3.72Å; V1089-I1143 HydrophobicContact CG2-CD1 4.23Å; V1089-I1143 HydrophobicContact CG2-CG1 4.39Å; V1089-I1143 HydrophobicContact CG2-CG2 3.92Å; L1115-I1143 HydrophobicContact CD1-CB 4.43Å; L1115-I1143 HydrophobicContact CD1-CG2 3.65Å; L1115-I1143 HydrophobicContact CD2-CG2 4.36Å; L1139-I1143 HydrophobicContact CD1-CD1 3.9Å; L1139-I1143 HydrophobicContact CD1-CG1 4.14Å; L1139-I1143 HydrophobicContact CD2-CD1 4.41Å; L1139-I1143 HydrophobicContact CG-CD1 3.77Å; L1139-I1143 HydrophobicContact CG-CG1 4.4Å; L1139-I1143 WeakPolarHBondContact O-CG1 3.3Å; L1139-I1143 PolarHBondContact O-N 2.98Å; H1140-I1143 PolarHBondContact O-N 3.36Å; I1143-R1145 VanDerWaalsContact C-N 3.32Å; I1143-R1145 PolarHBondContact O-N 2.98Å; I1143-G1146 PolarHBondContact O-N 3.33Å; I1143-G1146 VanDerWaalsContact O-N 3.09Å; I1143-I1147 HydrophobicContact CG2-CD1 4.17Å; I1143-I1147 WeakPolarHBondContact O-CG1 3.29Å; I1143-I1147 PolarHBondContact O-N 3.01Å |
| 1144 | I | 94.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | -178.8 | -165.1 | 171.3 | 0 | 0 | 0 | 111.5 | L1115 L1116 H1140 L1141 G1146 I1147 F1148 F1186 | L1115-I1144 HydrophobicContact CB-CB 4.32Å; L1115-I1144 HydrophobicContact CB-CD1 4.23Å; L1115-I1144 HydrophobicContact CD1-CB 4.24Å; L1116-I1144 HydrophobicContact CB-CD1 4.47Å; L1116-I1144 HydrophobicContact CD1-CD1 4.33Å; L1116-I1144 HydrophobicContact CD2-CD1 3.27Å; L1116-I1144 HydrophobicContact CG-CD1 3.38Å; H1140-I1144 WeakPolarHBondContact O-CB 3.49Å; H1140-I1144 VanDerWaalsContact O-CG2 3.26Å; H1140-I1144 WeakPolarHBondContact O-CG2 3.41Å; H1140-I1144 PolarHBondContact O-N 3.46Å; L1141-I1144 WeakPolarHBondContact O-CG2 3.39Å; I1144-G1146 VanDerWaalsContact C-N 3.31Å; I1144-G1146 PolarHBondContact O-N 3.45Å; I1144-I1147 PolarHBondContact O-N 3.13Å; I1144-F1148 HydrophobicContact CD1-CE2 4.12Å; I1144-F1148 HydrophobicContact CG1-CD2 3.92Å; I1144-F1148 HydrophobicContact CG1-CE2 3.83Å; I1144-F1148 WeakPolarHBondContact O-CD2 3.36Å; I1144-F1148 PolarHBondContact O-N 3.11Å; I1144-F1148 VanDerWaalsContact O-N 3.07Å; I1144-F1186 HydrophobicContact CB-CZ 4.49Å; I1144-F1186 HydrophobicContact CD1-CE1 4.49Å; I1144-F1186 HydrophobicContact CD1-CZ 3.99Å; I1144-F1186 HydrophobicContact CG1-CE2 4.36Å; I1144-F1186 HydrophobicContact CG1-CZ 3.99Å; I1144-F1186 HydrophobicContact CG2-CD1 4.24Å; I1144-F1186 HydrophobicContact CG2-CD2 4.42Å; I1144-F1186 HydrophobicContact CG2-CE1 3.88Å; I1144-F1186 HydrophobicContact CG2-CE2 4.05Å; I1144-F1186 HydrophobicContact CG2-CZ 3.76Å |
| 1145 | R | 94.6 | Very high | 89.8 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 23% | 0.234 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.7 | -47.4 | 171.7 | 177.7 | -173.7 | 170.9 | -150.5 | -2.5 | 111.4 | L1141 N1142 I1143 I1147 F1148 Q1149 L1185 F1186 T1189 | L1141-R1145 WeakPolarHBondContact O-CB 3.41Å; L1141-R1145 PolarHBondContact O-N 3.24Å; N1142-R1145 PolarHBondContact O-N 2.76Å; I1143-R1145 VanDerWaalsContact C-N 3.32Å; I1143-R1145 PolarHBondContact O-N 2.98Å; R1145-I1147 VanDerWaalsContact C-N 3.31Å; R1145-I1147 PolarHBondContact O-N 2.79Å; R1145-F1148 PolarHBondContact O-N 3.29Å; R1145-Q1149 WeakPolarHBondContact O-CB 3.4Å; R1145-Q1149 PolarHBondContact O-N 2.95Å; R1145-L1185 PolarHBondContact NE-O 3.47Å; R1145-F1186 HydrophobicContact CB-CB 4.29Å; R1145-F1186 HydrophobicContact CB-CD2 3.84Å; R1145-F1186 HydrophobicContact CB-CG 4.37Å; R1145-F1186 HydrophobicContact CG-CD2 4.34Å; R1145-T1189 HydrophobicContact CG-CG2 4.4Å; R1145-T1189 WeakPolarHBondContact CG-OG1 3.13Å; R1145-T1189 PolarHBondContact NE-OG1 2.63Å |
| 1146 | G | 92.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1090 N1142 I1143 I1144 F1148 Q1149 S1150 | Q1090-G1146 VanDerWaalsContact NE2-CA 3.31Å; Q1090-G1146 PolarHBondContact NE2-O 3.37Å; Q1090-G1146 VanDerWaalsContact NE2-O 3.17Å; N1142-G1146 PolarHBondContact O-N 3Å; I1143-G1146 PolarHBondContact O-N 3.33Å; I1143-G1146 VanDerWaalsContact O-N 3.09Å; I1144-G1146 VanDerWaalsContact C-N 3.31Å; I1144-G1146 PolarHBondContact O-N 3.45Å; G1146-F1148 PolarHBondContact O-N 3.38Å; G1146-Q1149 PolarHBondContact O-N 3.47Å; G1146-S1150 PolarHBondContact O-N 3.42Å |
| 1147 | I | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 175.2 | -63.6 | 168.9 | 0 | 0 | 0 | 111.2 | V1089 L1093 L1108 T1111 V1112 L1115 I1143 I1144 R1145 Q1149 S1150 L1153 T1157 | V1089-I1147 HydrophobicContact CG1-CD1 4.23Å; L1093-I1147 HydrophobicContact CD1-CD1 3.78Å; L1093-I1147 HydrophobicContact CD1-CG1 4.03Å; L1108-I1147 HydrophobicContact CD1-CG2 3.81Å; T1111-I1147 HydrophobicContact CG2-CD1 4.36Å; V1112-I1147 HydrophobicContact CG2-CD1 4.27Å; V1112-I1147 HydrophobicContact CG2-CG2 3.92Å; L1115-I1147 HydrophobicContact CD1-CD1 3.79Å; I1143-I1147 HydrophobicContact CG2-CD1 4.17Å; I1143-I1147 WeakPolarHBondContact O-CG1 3.29Å; I1143-I1147 PolarHBondContact O-N 3.01Å; I1144-I1147 PolarHBondContact O-N 3.13Å; R1145-I1147 VanDerWaalsContact C-N 3.31Å; R1145-I1147 PolarHBondContact O-N 2.79Å; I1147-Q1149 VanDerWaalsContact C-N 3.31Å; I1147-Q1149 PolarHBondContact O-N 3.26Å; I1147-S1150 PolarHBondContact O-N 2.94Å; I1147-L1153 HydrophobicContact CG1-CD1 4.38Å; I1147-L1153 HydrophobicContact CG2-CB 4.22Å; I1147-L1153 HydrophobicContact CG2-CD1 4.14Å; I1147-T1157 HydrophobicContact CG2-CG2 3.96Å |
| 1148 | F | 95.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.4 | -24.7 | 178.1 | -83.9 | -93.9 | 0 | 0 | 0 | 113.6 | V1112 I1144 R1145 G1146 L1161 A1164 F1186 T1189 I1190 | V1112-F1148 HydrophobicContact CG1-CE2 4.37Å; I1144-F1148 HydrophobicContact CD1-CE2 4.12Å; I1144-F1148 HydrophobicContact CG1-CD2 3.92Å; I1144-F1148 HydrophobicContact CG1-CE2 3.83Å; I1144-F1148 WeakPolarHBondContact O-CD2 3.36Å; I1144-F1148 PolarHBondContact O-N 3.11Å; I1144-F1148 VanDerWaalsContact O-N 3.07Å; R1145-F1148 PolarHBondContact O-N 3.29Å; G1146-F1148 PolarHBondContact O-N 3.38Å; F1148-L1161 HydrophobicContact CD1-CD2 4.02Å; F1148-L1161 HydrophobicContact CE1-CD2 3.69Å; F1148-L1161 HydrophobicContact CE1-CG 4.22Å; F1148-A1164 HydrophobicContact CE1-CB 4.21Å; F1148-A1164 HydrophobicContact CE2-CB 4.06Å; F1148-A1164 HydrophobicContact CZ-CB 3.64Å; F1148-F1186 HydrophobicContact CB-CE2 4.45Å; F1148-F1186 AromaticContact CD2-CE2 3.84Å; F1148-F1186 HydrophobicContact CD2-CE2 3.84Å; F1148-F1186 HydrophobicContact CD2-CZ 4.19Å; F1148-F1186 HydrophobicContact CE2-CE2 4.35Å; F1148-F1186 HydrophobicContact CE2-CZ 4.25Å; F1148-F1186 HydrophobicContact CG-CE2 4.23Å; F1148-T1189 HydrophobicContact CB-CG2 4.3Å; F1148-I1190 HydrophobicContact CB-CD1 4.17Å; F1148-I1190 HydrophobicContact CD1-CD1 3.42Å; F1148-I1190 VanDerWaalsContact CD1-CD1 3.42Å; F1148-I1190 HydrophobicContact CD2-CD1 4.3Å; F1148-I1190 HydrophobicContact CE1-CD1 3.79Å; F1148-I1190 HydrophobicContact CG-CD1 3.7Å; F1148-I1190 HydrophobicContact CZ-CD1 4.36Å |
| 1149 | Q | 91.3 | Very high | 90.2 | Very high | 116 Ų | 116 | 44.8 Ų | 44.8 | 54% | 0.542 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -83.3 | -25.6 | 176.8 | -166.3 | 174.7 | 22 | 0 | 0 | 112.9 | R1145 G1146 I1147 K1151 T1189 | R1145-Q1149 WeakPolarHBondContact O-CB 3.4Å; R1145-Q1149 PolarHBondContact O-N 2.95Å; G1146-Q1149 PolarHBondContact O-N 3.47Å; I1147-Q1149 VanDerWaalsContact C-N 3.31Å; I1147-Q1149 PolarHBondContact O-N 3.26Å; Q1149-K1151 PolarHBondContact O-N 3.31Å; Q1149-T1189 HydrophobicContact CB-CG2 4.09Å |
| 1150 | S | 89.9 | Confident | 90.5 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | trans | -60.2 | 129.5 | -177.9 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | G1146 I1147 N1152 L1153 N1154 | G1146-S1150 PolarHBondContact O-N 3.42Å; I1147-S1150 PolarHBondContact O-N 2.94Å; S1150-N1152 PolarHBondContact O-N 2.97Å; S1150-N1152 PolarHBondContact OG-N 3.31Å; S1150-L1153 PolarHBondContact OG-N 3.26Å; S1150-N1154 WeakPolarHBondContact O-CB 3.27Å; S1150-N1154 PolarHBondContact O-N 2.68Å; S1150-N1154 PolarHBondContact O-ND2 3.18Å | ||
| 1151 | K | 85.7 | Confident | 90.6 | Very high | 187 Ų | 187 | 44.1 Ų | 44.1 | 81% | 0.813 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -29 | 175.6 | -67.2 | -177.5 | -179.6 | 176.7 | 0 | 112.9 | Q1149 | Q1149-K1151 PolarHBondContact O-N 3.31Š|
| 1152 | N | 85.6 | Confident | 90.7 | Very high | 111 Ų | 111 | 45.6 Ų | 45.6 | 59% | 0.594 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -29.6 | -175.7 | -60.9 | -19.7 | 0 | 0 | 0 | 112.1 | S1150 | S1150-N1152 PolarHBondContact O-N 2.97Å; S1150-N1152 PolarHBondContact OG-N 3.31Å |
| 1153 | L | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -27.6 | -176 | -54.4 | 178.9 | 0 | 0 | 0 | 113.6 | Q1090 L1093 I1097 L1108 I1147 S1150 C1155 H1156 | Q1090-L1153 HydrophobicContact CB-CD1 4.31Å; Q1090-L1153 HydrophobicContact CG-CD1 3.93Å; L1093-L1153 HydrophobicContact CB-CD1 3.92Å; L1093-L1153 HydrophobicContact CB-CD2 4.04Å; L1093-L1153 HydrophobicContact CD1-CD1 4.15Å; I1097-L1153 HydrophobicContact CD1-CD2 3.3Å; L1108-L1153 HydrophobicContact CD1-CD1 4.5Å; L1108-L1153 HydrophobicContact CD2-CD2 4.5Å; I1147-L1153 HydrophobicContact CG1-CD1 4.38Å; I1147-L1153 HydrophobicContact CG2-CB 4.22Å; I1147-L1153 HydrophobicContact CG2-CD1 4.14Å; S1150-L1153 PolarHBondContact OG-N 3.26Å; L1153-C1155 PolarHBondContact O-N 3.4Å; L1153-C1155 VanDerWaalsContact O-N 3.14Å; L1153-H1156 PolarHBondContact O-N 3.43Å |
| 1154 | N | 82.8 | Confident | 91.1 | Very high | 32 Ų | 32 | 49 Ų | 49 | 17% | 0.171 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -61.7 | -27.2 | -170.3 | 68.3 | 31.3 | 0 | 0 | 0 | 114.3 | S1150 H1156 T1157 R1193 | S1150-N1154 WeakPolarHBondContact O-CB 3.27Å; S1150-N1154 PolarHBondContact O-N 2.68Å; S1150-N1154 PolarHBondContact O-ND2 3.18Å; N1154-H1156 PolarHBondContact O-N 2.94Å; N1154-T1157 PolarHBondContact O-N 3.42Å; N1154-T1157 PolarHBondContact O-OG1 3.02Å; N1154-T1157 VanDerWaalsContact O-OG1 3.06Å; N1154-R1193 PolarHBondContact O-NH2 2.78Å; N1154-R1193 VanDerWaalsContact O-NH2 3.07Å; N1154-R1193 PolarHBondContact OD1-NH1 3.48Å |
| 1155 | C | 83.3 | Confident | 91.2 | Very high | 72 Ų | 72 | 49 Ų | 49 | 49% | 0.486 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -67.2 | -16.7 | 179.2 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | L1153 | L1153-C1155 PolarHBondContact O-N 3.4Å; L1153-C1155 VanDerWaalsContact O-N 3.14Å |
| 1156 | H | 87.5 | Confident | 91.4 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 33% | 0.329 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -101.9 | -1.8 | 179.6 | -57.1 | -58.6 | 0 | 0 | 0 | 113.6 | L1108 L1153 N1154 | L1108-H1156 HydrophobicContact CD2-CB 3.51Å; L1153-H1156 PolarHBondContact O-N 3.43Å; N1154-H1156 PolarHBondContact O-N 2.94Å |
| 1157 | T | 90.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -100.8 | -0.4 | -174.9 | 63.6 | 0 | 0 | 0 | 0 | 114.8 | V1112 I1147 N1154 K1159 Y1160 | V1112-T1157 HydrophobicContact CG2-CG2 4.4Å; I1147-T1157 HydrophobicContact CG2-CG2 3.96Å; N1154-T1157 PolarHBondContact O-N 3.42Å; N1154-T1157 PolarHBondContact O-OG1 3.02Å; N1154-T1157 VanDerWaalsContact O-OG1 3.06Å; T1157-K1159 VanDerWaalsContact C-N 3.27Å; T1157-K1159 PolarHBondContact O-N 3.06Å; T1157-K1159 VanDerWaalsContact O-N 3.16Å; T1157-Y1160 WeakPolarHBondContact O-CB 3.32Å; T1157-Y1160 PolarHBondContact O-N 3.25Å | ||
| 1158 | D | 87.5 | Confident | 91.8 | Very high | 65 Ų | 65 | 47.5 Ų | 47.5 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -55.6 | -38.1 | -173.9 | -76.1 | -9 | 0 | 0 | 0 | 113.6 | Y1160 L1161 R1193 | D1158-Y1160 PolarHBondContact O-N 2.88Å; D1158-Y1160 VanDerWaalsContact O-N 3.13Å; D1158-L1161 HydrophobicContact CB-CD1 4.33Å; D1158-L1161 WeakPolarHBondContact O-CB 3.43Å; D1158-L1161 PolarHBondContact O-N 3.34Å; D1158-R1193 IonicContact OD1-CZ 2.76Å; D1158-R1193 IonicContact OD1-NE 2.72Å; D1158-R1193 IonicContact OD1-NH2 2.72Å; D1158-R1193 PolarHBondContact OD1-NH2 3.05Å; D1158-R1193 IonicContact OD2-NH2 3.88Å |
| 1159 | K | 89.4 | Confident | 91.9 | Very high | 137 Ų | 137 | 47.3 Ų | 47.3 | 60% | 0.596 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -64.5 | -14.1 | 177.4 | 67.6 | -174 | 178 | -175.5 | 0 | 114.4 | T1109 T1157 | T1109-K1159 PolarHBondContact OG1-NZ 3.4Å; T1109-K1159 VanDerWaalsContact OG1-NZ 3.07Å; T1157-K1159 VanDerWaalsContact C-N 3.27Å; T1157-K1159 PolarHBondContact O-N 3.06Å; T1157-K1159 VanDerWaalsContact O-N 3.16Å |
| 1160 | Y | 94.3 | Very high | 92 | Very high | 19 Ų | 19 | 44 Ų | 44 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -104 | -8.5 | 179.4 | -58.5 | -76 | 0 | 0 | 0 | 113.7 | T1109 V1112 L1116 T1157 D1158 Q1162 K1163 A1164 | T1109-Y1160 WeakPolarHBondContact CA-OH 3.48Å; T1109-Y1160 WeakPolarHBondContact CB-OH 3.44Å; T1109-Y1160 WeakPolarHBondContact CG2-OH 3.4Å; T1109-Y1160 PolarHBondContact O-OH 3.42Å; T1109-Y1160 VanDerWaalsContact O-OH 3.05Å; V1112-Y1160 HydrophobicContact CB-CD2 4.32Å; V1112-Y1160 HydrophobicContact CB-CE2 4.21Å; V1112-Y1160 HydrophobicContact CG1-CD1 4.01Å; V1112-Y1160 HydrophobicContact CG1-CD2 3.58Å; V1112-Y1160 HydrophobicContact CG1-CE1 4.35Å; V1112-Y1160 HydrophobicContact CG1-CE2 3.95Å; V1112-Y1160 HydrophobicContact CG1-CG 3.6Å; L1116-Y1160 HydrophobicContact CD1-CD1 4.19Å; T1157-Y1160 WeakPolarHBondContact O-CB 3.32Å; T1157-Y1160 PolarHBondContact O-N 3.25Å; D1158-Y1160 PolarHBondContact O-N 2.88Å; D1158-Y1160 VanDerWaalsContact O-N 3.13Å; Y1160-Q1162 VanDerWaalsContact C-N 3.29Å; Y1160-Q1162 PolarHBondContact O-N 2.87Å; Y1160-K1163 PolarHBondContact O-N 2.96Å; Y1160-A1164 WeakPolarHBondContact O-CB 3.38Å; Y1160-A1164 PolarHBondContact O-N 3.15Å |
| 1161 | L | 94.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.7 | -44.5 | -173 | -80.1 | 167.9 | 0 | 0 | 0 | 113.1 | F1148 D1158 A1164 L1165 I1190 R1193 Y1219 | F1148-L1161 HydrophobicContact CD1-CD2 4.02Å; F1148-L1161 HydrophobicContact CE1-CD2 3.69Å; F1148-L1161 HydrophobicContact CE1-CG 4.22Å; D1158-L1161 HydrophobicContact CB-CD1 4.33Å; D1158-L1161 WeakPolarHBondContact O-CB 3.43Å; D1158-L1161 PolarHBondContact O-N 3.34Å; L1161-A1164 PolarHBondContact O-N 2.83Å; L1161-L1165 WeakPolarHBondContact O-CB 3.29Å; L1161-L1165 PolarHBondContact O-N 3.21Å; L1161-I1190 HydrophobicContact CD2-CD1 4.28Å; L1161-I1190 HydrophobicContact CD2-CG2 4.44Å; L1161-R1193 HydrophobicContact CD1-CG 4.42Å; L1161-R1193 HydrophobicContact CD2-CB 4.3Å; L1161-R1193 HydrophobicContact CD2-CG 3.58Å; L1161-Y1219 HydrophobicContact CB-CE1 3.96Å |
| 1162 | Q | 95 | Very high | 92.7 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 15% | 0.145 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61 | -48.1 | 177.3 | 176.3 | 173.5 | 69.4 | 0 | 0 | 112.8 | Y1160 A1164 L1165 I1166 Y1219 P1220 K1221 F1222 | Y1160-Q1162 VanDerWaalsContact C-N 3.29Å; Y1160-Q1162 PolarHBondContact O-N 2.87Å; Q1162-A1164 VanDerWaalsContact C-N 3.35Å; Q1162-L1165 PolarHBondContact O-N 3.19Å; Q1162-I1166 HydrophobicContact CG-CD1 4.28Å; Q1162-I1166 WeakPolarHBondContact O-CG1 3.45Å; Q1162-I1166 PolarHBondContact O-N 2.91Å; Q1162-I1166 VanDerWaalsContact O-N 3.16Å; Q1162-Y1219 HydrophobicContact CB-CD1 3.95Å; Q1162-Y1219 PolarHBondContact NE2-O 3.33Å; Q1162-P1220 VanDerWaalsContact NE2-N 3.15Å; Q1162-K1221 VanDerWaalsContact CD-CB 3.48Å; Q1162-K1221 HydrophobicContact CG-CB 4.35Å; Q1162-F1222 HydrophobicContact CG-CB 4.27Å; Q1162-F1222 VanDerWaalsContact NE2-N 3.16Å |
| 1163 | K | 95.7 | Very high | 92.9 | Very high | 105 Ų | 105 | 30.1 Ų | 30.1 | 46% | 0.457 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 179.6 | -68.8 | -176.7 | 179.8 | -179.8 | 0 | 110.9 | L1116 Y1160 I1166 V1167 | L1116-K1163 HydrophobicContact CD1-CB 4.11Å; Y1160-K1163 PolarHBondContact O-N 2.96Å; K1163-I1166 PolarHBondContact O-N 3.03Å; K1163-V1167 WeakPolarHBondContact O-CG2 3.46Å; K1163-V1167 PolarHBondContact O-N 2.87Å |
| 1164 | A | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L1116 F1148 Y1160 L1161 Q1162 V1167 A1168 F1186 I1190 | L1116-A1164 HydrophobicContact CD2-CB 4.16Å; F1148-A1164 HydrophobicContact CE1-CB 4.21Å; F1148-A1164 HydrophobicContact CE2-CB 4.06Å; F1148-A1164 HydrophobicContact CZ-CB 3.64Å; Y1160-A1164 WeakPolarHBondContact O-CB 3.38Å; Y1160-A1164 PolarHBondContact O-N 3.15Å; L1161-A1164 PolarHBondContact O-N 2.83Å; Q1162-A1164 VanDerWaalsContact C-N 3.35Å; A1164-V1167 PolarHBondContact O-N 3.5Å; A1164-A1168 VanDerWaalsContact O-CB 3.3Å; A1164-A1168 WeakPolarHBondContact O-CB 3.09Å; A1164-A1168 PolarHBondContact O-N 3.37Å; A1164-F1186 HydrophobicContact CB-CE1 4.3Å; A1164-F1186 HydrophobicContact CB-CZ 3.73Å; A1164-I1190 HydrophobicContact CB-CD1 3.96Å; A1164-I1190 HydrophobicContact CB-CG1 4.4Å |
| 1165 | L | 97.6 | Very high | 93 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 176.2 | 179.9 | 59.6 | 0 | 0 | 0 | 111.9 | L1161 Q1162 A1168 L1169 Y1187 I1190 I1194 F1215 F1222 L1256 | L1161-L1165 WeakPolarHBondContact O-CB 3.29Å; L1161-L1165 PolarHBondContact O-N 3.21Å; Q1162-L1165 PolarHBondContact O-N 3.19Å; L1165-A1168 PolarHBondContact O-N 3.07Å; L1165-L1169 HydrophobicContact CD1-CD1 4.02Å; L1165-L1169 HydrophobicContact CD1-CG 4.34Å; L1165-L1169 HydrophobicContact CG-CD1 4.07Å; L1165-L1169 WeakPolarHBondContact O-CG 3.32Å; L1165-L1169 PolarHBondContact O-N 2.91Å; L1165-Y1187 HydrophobicContact CD1-CD2 4.19Å; L1165-Y1187 HydrophobicContact CD1-CE2 4.36Å; L1165-I1190 HydrophobicContact CB-CG2 4.01Å; L1165-I1190 HydrophobicContact CD1-CG2 4.1Å; L1165-I1194 HydrophobicContact CD2-CD1 4.17Å; L1165-F1215 HydrophobicContact CD2-CZ 4.35Å; L1165-F1222 HydrophobicContact CD2-CD1 4.38Å; L1165-F1222 HydrophobicContact CD2-CD2 3.74Å; L1165-F1222 HydrophobicContact CD2-CE1 4.34Å; L1165-F1222 HydrophobicContact CD2-CE2 3.72Å; L1165-F1222 HydrophobicContact CD2-CG 4.08Å; L1165-F1222 HydrophobicContact CD2-CZ 4.03Å; L1165-F1222 HydrophobicContact CG-CD2 4.11Å; L1165-F1222 HydrophobicContact CG-CE2 3.93Å; L1165-L1256 HydrophobicContact CD1-CD1 4.4Å; L1165-L1256 HydrophobicContact CD1-CD2 4.44Å; L1165-L1256 HydrophobicContact CD2-CD2 3.89Å |
| 1166 | I | 97.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 13% | 0.133 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.2 | -49.9 | 178 | -69.5 | 169.3 | 0 | 0 | 0 | 110.8 | Q1162 K1163 A1168 L1169 D1170 F1222 Y1225 | Q1162-I1166 HydrophobicContact CG-CD1 4.28Å; Q1162-I1166 WeakPolarHBondContact O-CG1 3.45Å; Q1162-I1166 PolarHBondContact O-N 2.91Å; Q1162-I1166 VanDerWaalsContact O-N 3.16Å; K1163-I1166 PolarHBondContact O-N 3.03Å; I1166-A1168 VanDerWaalsContact C-N 3.32Å; I1166-A1168 PolarHBondContact O-N 2.91Å; I1166-L1169 PolarHBondContact O-N 2.89Å; I1166-D1170 PolarHBondContact O-N 3.29Å; I1166-F1222 HydrophobicContact CG1-CD2 3.98Å; I1166-Y1225 HydrophobicContact CD1-CG 4.31Å; I1166-Y1225 HydrophobicContact CG1-CD1 4.09Å; I1166-Y1225 HydrophobicContact CG1-CD2 4.29Å; I1166-Y1225 HydrophobicContact CG1-CG 3.94Å; I1166-Y1225 HydrophobicContact CG2-CD2 3.74Å; I1166-Y1225 HydrophobicContact CG2-CE2 3.66Å; I1166-Y1225 HydrophobicContact CG2-CG 4.26Å |
| 1167 | V | 97.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 36 Ų | 36 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 178.8 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | L1116 V1119 K1120 L1123 K1163 A1164 D1170 G1171 | L1116-V1167 HydrophobicContact CD2-CB 4.17Å; L1116-V1167 HydrophobicContact CD2-CG1 4.37Å; L1116-V1167 HydrophobicContact CD2-CG2 4.15Å; V1119-V1167 HydrophobicContact CB-CG1 4.06Å; V1119-V1167 HydrophobicContact CG1-CG1 3.55Å; K1120-V1167 HydrophobicContact CB-CG2 4.35Å; L1123-V1167 HydrophobicContact CD1-CG1 4.47Å; K1163-V1167 WeakPolarHBondContact O-CG2 3.46Å; K1163-V1167 PolarHBondContact O-N 2.87Å; A1164-V1167 PolarHBondContact O-N 3.5Å; V1167-D1170 PolarHBondContact O-N 3.28Å; V1167-G1171 PolarHBondContact O-N 3.19Å |
| 1168 | A | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1164 L1165 I1166 G1171 V1172 F1186 | A1164-A1168 VanDerWaalsContact O-CB 3.3Å; A1164-A1168 WeakPolarHBondContact O-CB 3.09Å; A1164-A1168 PolarHBondContact O-N 3.37Å; L1165-A1168 PolarHBondContact O-N 3.07Å; I1166-A1168 VanDerWaalsContact C-N 3.32Å; I1166-A1168 PolarHBondContact O-N 2.91Å; A1168-G1171 PolarHBondContact O-N 3.46Å; A1168-V1172 VanDerWaalsContact O-CG2 3.26Å; A1168-V1172 WeakPolarHBondContact O-CG2 3.34Å; A1168-V1172 PolarHBondContact O-N 3.32Å; A1168-F1186 HydrophobicContact CB-CD1 3.66Å; A1168-F1186 HydrophobicContact CB-CE1 4.15Å; A1168-F1186 HydrophobicContact CB-CG 4.28Å |
| 1169 | L | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | 179.4 | -73.8 | 167.2 | 0 | 0 | 0 | 113 | L1165 I1166 G1171 V1172 G1173 Y1187 F1222 Y1225 I1253 | L1165-L1169 HydrophobicContact CD1-CD1 4.02Å; L1165-L1169 HydrophobicContact CD1-CG 4.34Å; L1165-L1169 HydrophobicContact CG-CD1 4.07Å; L1165-L1169 WeakPolarHBondContact O-CG 3.32Å; L1165-L1169 PolarHBondContact O-N 2.91Å; I1166-L1169 PolarHBondContact O-N 2.89Å; L1169-G1171 VanDerWaalsContact C-N 3.32Å; L1169-V1172 PolarHBondContact O-N 3.07Å; L1169-G1173 PolarHBondContact O-N 3.46Å; L1169-Y1187 HydrophobicContact CD2-CD2 3.77Å; L1169-Y1187 HydrophobicContact CD2-CE2 3.75Å; L1169-Y1187 HydrophobicContact CG-CD2 4.23Å; L1169-Y1187 HydrophobicContact CG-CE2 4.47Å; L1169-F1222 HydrophobicContact CD1-CE2 3.53Å; L1169-F1222 HydrophobicContact CD1-CZ 4.01Å; L1169-Y1225 HydrophobicContact CB-CE1 4.21Å; L1169-Y1225 WeakPolarHBondContact CB-OH 3.36Å; L1169-Y1225 HydrophobicContact CD1-CE1 3.98Å; L1169-I1253 HydrophobicContact CD1-CG1 4.17Å; L1169-I1253 HydrophobicContact CD2-CG1 4.1Å |
| 1170 | D | 95 | Very high | 93.2 | Very high | 46 Ų | 46 | 29.3 Ų | 29.3 | 25% | 0.246 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 172.3 | -73.2 | -21.7 | 0 | 0 | 0 | 111.3 | L1123 I1166 V1167 G1173 C1174 Y1225 K1249 | L1123-D1170 HydrophobicContact CD1-CB 3.98Å; I1166-D1170 PolarHBondContact O-N 3.29Å; V1167-D1170 PolarHBondContact O-N 3.28Å; D1170-G1173 PolarHBondContact O-N 3.44Å; D1170-C1174 PolarHBondContact O-N 2.98Å; D1170-Y1225 WeakPolarHBondContact OD1-CE2 3.33Å; D1170-Y1225 PolarHBondContact OD1-OH 2.64Å; D1170-K1249 IonicContact OD1-NZ 3.72Å; D1170-K1249 PolarHBondContact OD1-NZ 3.47Å |
| 1171 | G | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.3 | -35.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | V1167 A1168 L1169 G1173 C1174 R1180 S1183 | V1167-G1171 PolarHBondContact O-N 3.19Å; A1168-G1171 PolarHBondContact O-N 3.46Å; L1169-G1171 VanDerWaalsContact C-N 3.32Å; G1171-G1173 PolarHBondContact O-N 2.84Å; G1171-C1174 WeakPolarHBondContact O-CB 3.43Å; G1171-C1174 PolarHBondContact O-N 2.83Å; G1171-C1174 VanDerWaalsContact O-N 3.07Å; G1171-R1180 WeakPolarHBondContact O-CA 3.41Å; G1171-S1183 VanDerWaalsContact CA-OG 3.25Å; G1171-S1183 WeakPolarHBondContact CA-OG 3.43Å |
| 1172 | V | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -32.9 | 172.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | A1168 L1169 C1174 R1180 I1184 F1248 | A1168-V1172 VanDerWaalsContact O-CG2 3.26Å; A1168-V1172 WeakPolarHBondContact O-CG2 3.34Å; A1168-V1172 PolarHBondContact O-N 3.32Å; L1169-V1172 PolarHBondContact O-N 3.07Å; V1172-C1174 PolarHBondContact O-N 3.35Å; V1172-R1180 VanDerWaalsContact O-CD 3.24Å; V1172-R1180 WeakPolarHBondContact O-CD 3.42Å; V1172-R1180 VanDerWaalsContact O-CG 3.29Å; V1172-R1180 WeakPolarHBondContact O-CG 3.3Å; V1172-I1184 HydrophobicContact CG1-CG1 4.17Å; V1172-I1184 HydrophobicContact CG2-CG1 3.86Å; V1172-F1248 HydrophobicContact CG1-CB 3.87Å |
| 1173 | G | 90.9 | Very high | 92.9 | Very high | 17 Ų | 17 | 31 Ų | 31 | 18% | 0.175 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -5.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | L1169 D1170 G1171 S1245 | L1169-G1173 PolarHBondContact O-N 3.46Å; D1170-G1173 PolarHBondContact O-N 3.44Å; G1171-G1173 PolarHBondContact O-N 2.84Å; G1173-S1245 WeakPolarHBondContact O-CB 3.26Å; G1173-S1245 PolarHBondContact O-OG 3.48Å |
| 1174 | C | 89.2 | Confident | 92.7 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | trans | -67.5 | 143.1 | -175.4 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | L1123 D1170 G1171 V1172 I1179 R1180 S1245 | L1123-C1174 HydrophobicContact CD2-CB 4.26Å; D1170-C1174 PolarHBondContact O-N 2.98Å; G1171-C1174 WeakPolarHBondContact O-CB 3.43Å; G1171-C1174 PolarHBondContact O-N 2.83Å; G1171-C1174 VanDerWaalsContact O-N 3.07Å; V1172-C1174 PolarHBondContact O-N 3.35Å; C1174-I1179 HydrophobicContact CB-CB 4.26Å; C1174-I1179 HydrophobicContact CB-CG2 3.78Å; C1174-R1180 PolarHBondContact O-NH1 2.88Å; C1174-S1245 WeakPolarHBondContact O-CB 3.46Å | ||
| 1175 | R | 85.6 | Confident | 92.5 | Very high | 150 Ų | 150 | 32.8 Ų | 32.8 | 57% | 0.566 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -67.9 | -42 | 177.6 | -70 | -178.8 | 177.7 | 175.1 | -2.7 | 111.5 | D1127 L1177 R1180 | D1127-R1175 IonicContact OD2-NH1 2.71Å; R1175-L1177 PolarHBondContact O-N 3.23Å; R1175-R1180 PolarHBondContact O-NH1 2.98Å |
| 1176 | D | 88 | Confident | 92.4 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 23% | 0.23 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -60.7 | 115.3 | 175.3 | -60.5 | -80.1 | 0 | 0 | 0 | 111.4 | R1130 L1134 S1178 I1179 R1180 | R1130-D1176 WeakPolarHBondContact CD-OD2 3.11Å; R1130-D1176 IonicContact NH1-OD2 3.58Å; R1130-D1176 PolarHBondContact NH1-OD2 3.35Å; L1134-D1176 HydrophobicContact CD1-CB 4.24Å; D1176-S1178 PolarHBondContact O-N 3.43Å; D1176-I1179 HydrophobicContact CB-CB 4.29Å; D1176-I1179 HydrophobicContact CB-CD1 4.12Å; D1176-I1179 HydrophobicContact CB-CG1 4.32Å; D1176-I1179 PolarHBondContact O-N 3.11Å; D1176-R1180 WeakPolarHBondContact O-CB 3.29Å; D1176-R1180 PolarHBondContact O-N 3.44Å |
| 1177 | L | 84.6 | Confident | 92.4 | Very high | 96 Ų | 96 | 32.3 Ų | 32.3 | 50% | 0.503 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.6 | -37 | -176.8 | 178.2 | 64.2 | 0 | 0 | 0 | 112 | R1175 R1180 N1181 | R1175-L1177 PolarHBondContact O-N 3.23Å; L1177-R1180 PolarHBondContact O-N 3.4Å; L1177-N1181 WeakPolarHBondContact CD1-OD1 3.28Å; L1177-N1181 WeakPolarHBondContact O-CB 3.33Å; L1177-N1181 PolarHBondContact O-N 3.15Å; L1177-N1181 PolarHBondContact O-OD1 3.31Å |
| 1178 | S | 87.2 | Confident | 92.2 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 22% | 0.217 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.9 | -42.1 | -178.1 | -52.7 | 0 | 0 | 0 | 0 | 113.6 | I1078 D1176 S1182 | I1078-S1178 VanDerWaalsContact CG2-OG 3.23Å; I1078-S1178 WeakPolarHBondContact CG2-OG 3.44Å; D1176-S1178 PolarHBondContact O-N 3.43Å; S1178-S1182 WeakPolarHBondContact O-CB 3.31Å; S1178-S1182 PolarHBondContact O-N 3.06Å; S1178-S1182 VanDerWaalsContact O-N 3.1Å; S1178-S1182 PolarHBondContact O-OG 3.43Å |
| 1179 | I | 91.2 | Very high | 92 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 174 | -68.6 | 171.5 | 0 | 0 | 0 | 109.1 | L1123 R1130 L1134 C1137 V1138 L1141 C1174 D1176 S1182 S1183 | L1123-I1179 HydrophobicContact CD2-CG2 3.71Å; R1130-I1179 HydrophobicContact CG-CD1 3.82Å; L1134-I1179 HydrophobicContact CD1-CD1 3.61Å; L1134-I1179 HydrophobicContact CD1-CG1 3.58Å; C1137-I1179 HydrophobicContact CB-CD1 4.29Å; C1137-I1179 HydrophobicContact CB-CG1 4.48Å; V1138-I1179 HydrophobicContact CG2-CG1 3.96Å; L1141-I1179 HydrophobicContact CD1-CG2 4Å; C1174-I1179 HydrophobicContact CB-CB 4.26Å; C1174-I1179 HydrophobicContact CB-CG2 3.78Å; D1176-I1179 HydrophobicContact CB-CB 4.29Å; D1176-I1179 HydrophobicContact CB-CD1 4.12Å; D1176-I1179 HydrophobicContact CB-CG1 4.32Å; D1176-I1179 PolarHBondContact O-N 3.11Å; I1179-S1182 PolarHBondContact O-N 3.39Å; I1179-S1183 VanDerWaalsContact O-CB 3.25Å; I1179-S1183 WeakPolarHBondContact O-CB 3.34Å; I1179-S1183 PolarHBondContact O-N 3.44Å; I1179-S1183 PolarHBondContact O-OG 2.95Å |
| 1180 | R | 92 | Very high | 92 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 12% | 0.121 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.4 | -50.9 | 177.2 | 178.9 | 166.8 | 69 | -113.4 | 5.4 | 111.9 | G1171 V1172 C1174 R1175 D1176 L1177 S1182 S1183 I1184 | G1171-R1180 WeakPolarHBondContact O-CA 3.41Å; V1172-R1180 VanDerWaalsContact O-CD 3.24Å; V1172-R1180 WeakPolarHBondContact O-CD 3.42Å; V1172-R1180 VanDerWaalsContact O-CG 3.29Å; V1172-R1180 WeakPolarHBondContact O-CG 3.3Å; C1174-R1180 PolarHBondContact O-NH1 2.88Å; R1175-R1180 PolarHBondContact O-NH1 2.98Å; D1176-R1180 WeakPolarHBondContact O-CB 3.29Å; D1176-R1180 PolarHBondContact O-N 3.44Å; L1177-R1180 PolarHBondContact O-N 3.4Å; R1180-S1182 PolarHBondContact O-N 2.99Å; R1180-S1183 CarbonylContact O-C 3.4Å; R1180-S1183 PolarHBondContact O-N 3.17Å; R1180-S1183 VanDerWaalsContact O-N 3.16Å; R1180-I1184 HydrophobicContact CG-CD1 3.92Å; R1180-I1184 HydrophobicContact CG-CG1 4.4Å; R1180-I1184 VanDerWaalsContact O-CG1 3.3Å; R1180-I1184 WeakPolarHBondContact O-CG1 3.39Å; R1180-I1184 PolarHBondContact O-N 3.42Å |
| 1181 | N | 88.8 | Confident | 91.9 | Very high | 77 Ų | 77 | 33.5 Ų | 33.5 | 41% | 0.412 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 179.8 | -72 | -7.7 | 0 | 0 | 0 | 111.9 | L1177 S1183 I1184 L1185 | L1177-N1181 WeakPolarHBondContact CD1-OD1 3.28Å; L1177-N1181 WeakPolarHBondContact O-CB 3.33Å; L1177-N1181 PolarHBondContact O-N 3.15Å; L1177-N1181 PolarHBondContact O-OD1 3.31Å; N1181-S1183 VanDerWaalsContact C-N 3.3Å; N1181-S1183 PolarHBondContact O-N 3.32Å; N1181-I1184 PolarHBondContact O-N 3.17Å; N1181-L1185 WeakPolarHBondContact O-CG 3.41Å; N1181-L1185 PolarHBondContact O-N 3.04Å; N1181-L1185 VanDerWaalsContact O-N 3.13Å |
| 1182 | S | 91.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -37.4 | 176.8 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | V1138 S1178 I1179 R1180 L1185 F1186 | V1138-S1182 WeakPolarHBondContact CG1-OG 3.46Å; S1178-S1182 WeakPolarHBondContact O-CB 3.31Å; S1178-S1182 PolarHBondContact O-N 3.06Å; S1178-S1182 VanDerWaalsContact O-N 3.1Å; S1178-S1182 PolarHBondContact O-OG 3.43Å; I1179-S1182 PolarHBondContact O-N 3.39Å; R1180-S1182 PolarHBondContact O-N 2.99Å; S1182-L1185 PolarHBondContact O-N 3.16Å; S1182-F1186 PolarHBondContact O-N 3.41Å |
| 1183 | S | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.9 | -34.6 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | L1141 G1171 I1179 R1180 N1181 L1185 F1186 Y1187 | L1141-S1183 WeakPolarHBondContact CD1-OG 3.35Å; G1171-S1183 VanDerWaalsContact CA-OG 3.25Å; G1171-S1183 WeakPolarHBondContact CA-OG 3.43Å; I1179-S1183 VanDerWaalsContact O-CB 3.25Å; I1179-S1183 WeakPolarHBondContact O-CB 3.34Å; I1179-S1183 PolarHBondContact O-N 3.44Å; I1179-S1183 PolarHBondContact O-OG 2.95Å; R1180-S1183 CarbonylContact O-C 3.4Å; R1180-S1183 PolarHBondContact O-N 3.17Å; R1180-S1183 VanDerWaalsContact O-N 3.16Å; N1181-S1183 VanDerWaalsContact C-N 3.3Å; N1181-S1183 PolarHBondContact O-N 3.32Å; S1183-L1185 VanDerWaalsContact C-N 3.33Å; S1183-F1186 PolarHBondContact O-N 3.15Å; S1183-Y1187 VanDerWaalsContact O-CB 3.29Å; S1183-Y1187 WeakPolarHBondContact O-CB 3.33Å; S1183-Y1187 PolarHBondContact O-N 2.92Å |
| 1184 | I | 93.3 | Very high | 91.4 | Very high | 65 Ų | 65 | 42 Ų | 42 | 33% | 0.333 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 172.4 | -71.4 | 168.5 | 0 | 0 | 0 | 110 | V1172 R1180 N1181 F1186 Y1187 S1188 | V1172-I1184 HydrophobicContact CG1-CG1 4.17Å; V1172-I1184 HydrophobicContact CG2-CG1 3.86Å; R1180-I1184 HydrophobicContact CG-CD1 3.92Å; R1180-I1184 HydrophobicContact CG-CG1 4.4Å; R1180-I1184 VanDerWaalsContact O-CG1 3.3Å; R1180-I1184 WeakPolarHBondContact O-CG1 3.39Å; R1180-I1184 PolarHBondContact O-N 3.42Å; N1181-I1184 PolarHBondContact O-N 3.17Å; I1184-F1186 VanDerWaalsContact C-N 3.33Å; I1184-F1186 PolarHBondContact O-N 2.98Å; I1184-Y1187 PolarHBondContact O-N 3.04Å; I1184-S1188 WeakPolarHBondContact O-CB 3.49Å; I1184-S1188 PolarHBondContact O-N 3.31Å |
| 1185 | L | 92.4 | Very high | 91.3 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 41% | 0.408 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.3 | -70.8 | 171 | 0 | 0 | 0 | 111.9 | R1145 N1181 S1182 S1183 T1189 | R1145-L1185 PolarHBondContact NE-O 3.47Å; N1181-L1185 WeakPolarHBondContact O-CG 3.41Å; N1181-L1185 PolarHBondContact O-N 3.04Å; N1181-L1185 VanDerWaalsContact O-N 3.13Å; S1182-L1185 PolarHBondContact O-N 3.16Å; S1183-L1185 VanDerWaalsContact C-N 3.33Å; L1185-T1189 PolarHBondContact O-N 3.14Å; L1185-T1189 PolarHBondContact O-OG1 3.48Å |
| 1186 | F | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -47.6 | 174.5 | -175.4 | -145.1 | 0 | 0 | 0 | 111.8 | L1141 I1144 R1145 F1148 A1164 A1168 S1182 S1183 I1184 S1188 T1189 I1190 | L1141-F1186 HydrophobicContact CD2-CD1 4.07Å; I1144-F1186 HydrophobicContact CB-CZ 4.49Å; I1144-F1186 HydrophobicContact CD1-CE1 4.49Å; I1144-F1186 HydrophobicContact CD1-CZ 3.99Å; I1144-F1186 HydrophobicContact CG1-CE2 4.36Å; I1144-F1186 HydrophobicContact CG1-CZ 3.99Å; I1144-F1186 HydrophobicContact CG2-CD1 4.24Å; I1144-F1186 HydrophobicContact CG2-CD2 4.42Å; I1144-F1186 HydrophobicContact CG2-CE1 3.88Å; I1144-F1186 HydrophobicContact CG2-CE2 4.05Å; I1144-F1186 HydrophobicContact CG2-CZ 3.76Å; R1145-F1186 HydrophobicContact CB-CB 4.29Å; R1145-F1186 HydrophobicContact CB-CD2 3.84Å; R1145-F1186 HydrophobicContact CB-CG 4.37Å; R1145-F1186 HydrophobicContact CG-CD2 4.34Å; F1148-F1186 HydrophobicContact CB-CE2 4.45Å; F1148-F1186 AromaticContact CD2-CE2 3.84Å; F1148-F1186 HydrophobicContact CD2-CE2 3.84Å; F1148-F1186 HydrophobicContact CD2-CZ 4.19Å; F1148-F1186 HydrophobicContact CE2-CE2 4.35Å; F1148-F1186 HydrophobicContact CE2-CZ 4.25Å; F1148-F1186 HydrophobicContact CG-CE2 4.23Å; A1164-F1186 HydrophobicContact CB-CE1 4.3Å; A1164-F1186 HydrophobicContact CB-CZ 3.73Å; A1168-F1186 HydrophobicContact CB-CD1 3.66Å; A1168-F1186 HydrophobicContact CB-CE1 4.15Å; A1168-F1186 HydrophobicContact CB-CG 4.28Å; S1182-F1186 PolarHBondContact O-N 3.41Å; S1183-F1186 PolarHBondContact O-N 3.15Å; I1184-F1186 VanDerWaalsContact C-N 3.33Å; I1184-F1186 PolarHBondContact O-N 2.98Å; F1186-S1188 VanDerWaalsContact C-N 3.35Å; F1186-S1188 PolarHBondContact O-N 2.68Å; F1186-T1189 WeakPolarHBondContact O-CB 3.34Å; F1186-T1189 PolarHBondContact O-N 3.39Å; F1186-T1189 VanDerWaalsContact O-N 3.09Å; F1186-I1190 HydrophobicContact CD2-CD1 4.31Å; F1186-I1190 HydrophobicContact CD2-CG1 4.05Å; F1186-I1190 HydrophobicContact CE2-CD1 3.65Å; F1186-I1190 HydrophobicContact CE2-CG1 3.79Å; F1186-I1190 HydrophobicContact CZ-CD1 4.1Å; F1186-I1190 HydrophobicContact CZ-CG1 4.19Å; F1186-I1190 WeakPolarHBondContact O-CG1 3.09Å; F1186-I1190 PolarHBondContact O-N 2.85Å |
| 1187 | Y | 97.7 | Very high | 90.4 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -52.4 | -50.2 | 174.4 | 164.8 | -96 | 0 | 0 | 0 | 111.6 | L1165 L1169 S1183 I1184 T1189 I1190 V1191 S1252 H1255 L1256 | L1165-Y1187 HydrophobicContact CD1-CD2 4.19Å; L1165-Y1187 HydrophobicContact CD1-CE2 4.36Å; L1169-Y1187 HydrophobicContact CD2-CD2 3.77Å; L1169-Y1187 HydrophobicContact CD2-CE2 3.75Å; L1169-Y1187 HydrophobicContact CG-CD2 4.23Å; L1169-Y1187 HydrophobicContact CG-CE2 4.47Å; S1183-Y1187 VanDerWaalsContact O-CB 3.29Å; S1183-Y1187 WeakPolarHBondContact O-CB 3.33Å; S1183-Y1187 PolarHBondContact O-N 2.92Å; I1184-Y1187 PolarHBondContact O-N 3.04Å; Y1187-T1189 VanDerWaalsContact C-N 3.27Å; Y1187-T1189 PolarHBondContact O-N 2.97Å; Y1187-I1190 PolarHBondContact O-N 3.31Å; Y1187-V1191 HydrophobicContact CD1-CG2 4.22Å; Y1187-V1191 HydrophobicContact CD2-CG2 4.04Å; Y1187-V1191 HydrophobicContact CE1-CG2 3.77Å; Y1187-V1191 HydrophobicContact CE2-CG2 3.59Å; Y1187-V1191 HydrophobicContact CG-CG2 4.34Å; Y1187-V1191 VanDerWaalsContact CZ-CG2 3.44Å; Y1187-V1191 WeakPolarHBondContact O-CG2 3.48Å; Y1187-V1191 PolarHBondContact O-N 2.84Å; Y1187-S1252 PolarHBondContact OH-O 2.97Å; Y1187-H1255 AromaticContact CZ-ND1 3.91Å; Y1187-H1255 PolarHBondContact OH-ND1 3.4Å; Y1187-L1256 PolarHBondContact OH-N 3.13Å |
| 1188 | S | 93.4 | Very high | 89.4 | Confident | 54 Ų | 54 | 37.7 Ų | 37.7 | 38% | 0.378 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.9 | -41 | 178.4 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | I1184 F1186 I1190 V1191 Q1192 | I1184-S1188 WeakPolarHBondContact O-CB 3.49Å; I1184-S1188 PolarHBondContact O-N 3.31Å; F1186-S1188 VanDerWaalsContact C-N 3.35Å; F1186-S1188 PolarHBondContact O-N 2.68Å; S1188-I1190 PolarHBondContact O-N 2.71Å; S1188-V1191 PolarHBondContact O-N 3.22Å; S1188-Q1192 WeakPolarHBondContact O-CG 3.4Å; S1188-Q1192 PolarHBondContact O-N 2.83Å |
| 1189 | T | 93.6 | Very high | 88 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.6 | -52.5 | 0 | 0 | 0 | 0 | 111.3 | R1145 F1148 Q1149 L1185 F1186 Y1187 R1193 | R1145-T1189 HydrophobicContact CG-CG2 4.4Å; R1145-T1189 WeakPolarHBondContact CG-OG1 3.13Å; R1145-T1189 PolarHBondContact NE-OG1 2.63Å; F1148-T1189 HydrophobicContact CB-CG2 4.3Å; Q1149-T1189 HydrophobicContact CB-CG2 4.09Å; L1185-T1189 PolarHBondContact O-N 3.14Å; L1185-T1189 PolarHBondContact O-OG1 3.48Å; F1186-T1189 WeakPolarHBondContact O-CB 3.34Å; F1186-T1189 PolarHBondContact O-N 3.39Å; F1186-T1189 VanDerWaalsContact O-N 3.09Å; Y1187-T1189 VanDerWaalsContact C-N 3.27Å; Y1187-T1189 PolarHBondContact O-N 2.97Å; T1189-R1193 WeakPolarHBondContact O-CB 3.38Å; T1189-R1193 PolarHBondContact O-N 3.2Å |
| 1190 | I | 96.3 | Very high | 86 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.6 | -41 | 177.7 | -60.8 | -58.1 | 0 | 0 | 0 | 112 | F1148 L1161 A1164 L1165 F1186 Y1187 S1188 R1193 I1194 | F1148-I1190 HydrophobicContact CB-CD1 4.17Å; F1148-I1190 HydrophobicContact CD1-CD1 3.42Å; F1148-I1190 VanDerWaalsContact CD1-CD1 3.42Å; F1148-I1190 HydrophobicContact CD2-CD1 4.3Å; F1148-I1190 HydrophobicContact CE1-CD1 3.79Å; F1148-I1190 HydrophobicContact CG-CD1 3.7Å; F1148-I1190 HydrophobicContact CZ-CD1 4.36Å; L1161-I1190 HydrophobicContact CD2-CD1 4.28Å; L1161-I1190 HydrophobicContact CD2-CG2 4.44Å; A1164-I1190 HydrophobicContact CB-CD1 3.96Å; A1164-I1190 HydrophobicContact CB-CG1 4.4Å; L1165-I1190 HydrophobicContact CB-CG2 4.01Å; L1165-I1190 HydrophobicContact CD1-CG2 4.1Å; F1186-I1190 HydrophobicContact CD2-CD1 4.31Å; F1186-I1190 HydrophobicContact CD2-CG1 4.05Å; F1186-I1190 HydrophobicContact CE2-CD1 3.65Å; F1186-I1190 HydrophobicContact CE2-CG1 3.79Å; F1186-I1190 HydrophobicContact CZ-CD1 4.1Å; F1186-I1190 HydrophobicContact CZ-CG1 4.19Å; F1186-I1190 WeakPolarHBondContact O-CG1 3.09Å; F1186-I1190 PolarHBondContact O-N 2.85Å; Y1187-I1190 PolarHBondContact O-N 3.31Å; S1188-I1190 PolarHBondContact O-N 2.71Å; I1190-R1193 WeakPolarHBondContact O-CB 3.34Å; I1190-R1193 PolarHBondContact O-N 3.45Å; I1190-R1193 VanDerWaalsContact O-N 3.11Å; I1190-I1194 HydrophobicContact CG2-CD1 3.89Å; I1190-I1194 HydrophobicContact CG2-CG1 4.41Å; I1190-I1194 WeakPolarHBondContact O-CG1 3.35Å; I1190-I1194 PolarHBondContact O-N 2.74Å |
| 1191 | V | 93 | Very high | 83.9 | Confident | 12 Ų | 12 | 59 Ų | 59 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 175.7 | 173 | 0 | 0 | 0 | 0 | 110.5 | Y1187 S1188 R1193 I1194 F1195 L1256 | Y1187-V1191 HydrophobicContact CD1-CG2 4.22Å; Y1187-V1191 HydrophobicContact CD2-CG2 4.04Å; Y1187-V1191 HydrophobicContact CE1-CG2 3.77Å; Y1187-V1191 HydrophobicContact CE2-CG2 3.59Å; Y1187-V1191 HydrophobicContact CG-CG2 4.34Å; Y1187-V1191 VanDerWaalsContact CZ-CG2 3.44Å; Y1187-V1191 WeakPolarHBondContact O-CG2 3.48Å; Y1187-V1191 PolarHBondContact O-N 2.84Å; S1188-V1191 PolarHBondContact O-N 3.22Å; V1191-R1193 PolarHBondContact O-N 3.38Å; V1191-I1194 PolarHBondContact O-N 3.39Å; V1191-I1194 VanDerWaalsContact O-N 3.17Å; V1191-F1195 HydrophobicContact CG1-CD2 3.94Å; V1191-F1195 HydrophobicContact CG1-CE2 4.48Å; V1191-F1195 WeakPolarHBondContact O-CD2 3.42Å; V1191-F1195 PolarHBondContact O-N 3.33Å; V1191-L1256 HydrophobicContact CG2-CD1 3.86Å |
| 1192 | Q | 88.9 | Confident | 81.7 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 46% | 0.463 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -32.1 | 175.3 | -71.3 | 178.9 | -1.7 | 0 | 0 | 112.5 | S1188 G1196 | S1188-Q1192 WeakPolarHBondContact O-CG 3.4Å; S1188-Q1192 PolarHBondContact O-N 2.83Å; Q1192-G1196 CarbonylContact O-C 3.49Å; Q1192-G1196 WeakPolarHBondContact O-CA 3Å; Q1192-G1196 PolarHBondContact O-N 3.24Å |
| 1193 | R | 89.2 | Confident | 79.7 | Confident | 81 Ų | 81 | 63.7 Ų | 63.7 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.1 | -34.5 | 176.2 | -179.8 | 57.1 | -178.2 | -178.8 | 4.1 | 112.7 | N1154 D1158 L1161 T1189 I1190 V1191 | N1154-R1193 PolarHBondContact O-NH2 2.78Å; N1154-R1193 VanDerWaalsContact O-NH2 3.07Å; N1154-R1193 PolarHBondContact OD1-NH1 3.48Å; D1158-R1193 IonicContact OD1-CZ 2.76Å; D1158-R1193 IonicContact OD1-NE 2.72Å; D1158-R1193 IonicContact OD1-NH2 2.72Å; D1158-R1193 PolarHBondContact OD1-NH2 3.05Å; D1158-R1193 IonicContact OD2-NH2 3.88Å; L1161-R1193 HydrophobicContact CD1-CG 4.42Å; L1161-R1193 HydrophobicContact CD2-CB 4.3Å; L1161-R1193 HydrophobicContact CD2-CG 3.58Å; T1189-R1193 WeakPolarHBondContact O-CB 3.38Å; T1189-R1193 PolarHBondContact O-N 3.2Å; I1190-R1193 WeakPolarHBondContact O-CB 3.34Å; I1190-R1193 PolarHBondContact O-N 3.45Å; I1190-R1193 VanDerWaalsContact O-N 3.11Å; V1191-R1193 PolarHBondContact O-N 3.38Å |
| 1194 | I | 91.8 | Very high | 77.7 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 9% | 0.087 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -78.6 | -43.5 | 179.7 | -67.7 | 171.9 | 0 | 0 | 0 | 111.5 | L1165 I1190 V1191 L1210 F1215 Y1219 | L1165-I1194 HydrophobicContact CD2-CD1 4.17Å; I1190-I1194 HydrophobicContact CG2-CD1 3.89Å; I1190-I1194 HydrophobicContact CG2-CG1 4.41Å; I1190-I1194 WeakPolarHBondContact O-CG1 3.35Å; I1190-I1194 PolarHBondContact O-N 2.74Å; V1191-I1194 PolarHBondContact O-N 3.39Å; V1191-I1194 VanDerWaalsContact O-N 3.17Å; I1194-L1210 HydrophobicContact CG2-CD1 4.06Å; I1194-F1215 HydrophobicContact CD1-CE2 4.38Å; I1194-F1215 HydrophobicContact CG2-CD2 4.24Å; I1194-F1215 HydrophobicContact CG2-CE2 3.97Å; I1194-Y1219 HydrophobicContact CD1-CE2 4.28Å; I1194-Y1219 HydrophobicContact CG1-CE2 4.37Å; I1194-Y1219 HydrophobicContact CG2-CE2 4.18Å |
| 1195 | F | 87.5 | Confident | 75.8 | Confident | 16 Ų | 16 | 66 Ų | 66 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -108.8 | -9.9 | -169.9 | -61.8 | -72.7 | 0 | 0 | 0 | 114.7 | V1191 N1208 L1210 F1215 L1256 H1259 L1260 | V1191-F1195 HydrophobicContact CG1-CD2 3.94Å; V1191-F1195 HydrophobicContact CG1-CE2 4.48Å; V1191-F1195 WeakPolarHBondContact O-CD2 3.42Å; V1191-F1195 PolarHBondContact O-N 3.33Å; F1195-N1208 WeakPolarHBondContact CB-O 3.21Å; F1195-N1208 VanDerWaalsContact O-CA 3.32Å; F1195-N1208 WeakPolarHBondContact O-CA 3.35Å; F1195-L1210 HydrophobicContact CD1-CD1 4.18Å; F1195-L1210 HydrophobicContact CD1-CG 4.05Å; F1195-L1210 HydrophobicContact CE1-CB 4.06Å; F1195-L1210 HydrophobicContact CE1-CD1 3.96Å; F1195-L1210 HydrophobicContact CE1-CG 3.99Å; F1195-F1215 HydrophobicContact CZ-CD2 4.16Å; F1195-F1215 HydrophobicContact CZ-CE2 4.11Å; F1195-L1256 HydrophobicContact CE2-CD1 3.73Å; F1195-L1256 HydrophobicContact CZ-CD1 4.41Å; F1195-H1259 HydrophobicContact CD1-CB 3.91Å; F1195-H1259 HydrophobicContact CD2-CB 3.97Å; F1195-H1259 HydrophobicContact CE1-CB 3.69Å; F1195-H1259 WeakPolarHBondContact CE1-O 3.5Å; F1195-H1259 HydrophobicContact CE2-CB 3.76Å; F1195-H1259 HydrophobicContact CG-CB 4.04Å; F1195-H1259 HydrophobicContact CZ-CB 3.62Å; F1195-L1260 HydrophobicContact CE1-CD2 3.98Å; F1195-L1260 HydrophobicContact CZ-CD2 3.93Å |
| 1196 | G | 81.2 | Confident | 74.3 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | trans | 85.3 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1192 N1208 | Q1192-G1196 CarbonylContact O-C 3.49Å; Q1192-G1196 WeakPolarHBondContact O-CA 3Å; Q1192-G1196 PolarHBondContact O-N 3.24Å; G1196-N1208 VanDerWaalsContact C-ND2 3.35Å; G1196-N1208 PolarHBondContact O-ND2 3.29Å | ||
| 1197 | V | 74.7 | Confident | 72.7 | Confident | 92 Ų | 92 | 79 Ų | 79 | 56% | 0.558 | 39% | 0.391 | S | S | * | . | trans | -81.2 | 129.4 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 110 | R1199 N1208 | V1197-R1199 PolarHBondContact O-N 3.1Å; V1197-N1208 PolarHBondContact O-ND2 2.76Å | ||
| 1198 | N | 63.3 | Low | 71.5 | Confident | 62 Ų | 62 | 79 Ų | 79 | 33% | 0.332 | 39% | 0.392 | S | S | . | . | trans | -74.9 | 115.5 | 176.1 | -174.3 | 1.3 | 0 | 0 | 0 | 108.8 | S1200 A1202 V1203 N1208 | N1198-S1200 WeakPolarHBondContact OD1-CB 3.45Å; N1198-S1200 PolarHBondContact OD1-N 3.23Å; N1198-S1200 PolarHBondContact OD1-O 3.47Å; N1198-S1200 PolarHBondContact OD1-OG 3.37Å; N1198-A1202 PolarHBondContact ND2-O 2.87Å; N1198-V1203 PolarHBondContact ND2-O 3.16Å; N1198-N1208 WeakPolarHBondContact CA-ND2 3.47Å; N1198-N1208 PolarHBondContact N-ND2 3.26Å | ||
| 1199 | R | 56.5 | Low | 70.9 | Confident | 237 Ų | 237 | 77.6 Ų | 77.6 | 89% | 0.894 | 38% | 0.382 | S | S | * | . | trans | -102 | -2.4 | 177 | -62.7 | -175.3 | -177.2 | 171.7 | 1.6 | 113.1 | V1197 | V1197-R1199 PolarHBondContact O-N 3.1Š| ||
| 1200 | S | 48.8 | Very low | 70.3 | Confident | 48 Ų | 48 | 79.3 Ų | 79.3 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -84.3 | 150.8 | 176.2 | 71.4 | 0 | 0 | 0 | 0 | 110.3 | N1198 A1202 | N1198-S1200 WeakPolarHBondContact OD1-CB 3.45Å; N1198-S1200 PolarHBondContact OD1-N 3.23Å; N1198-S1200 PolarHBondContact OD1-O 3.47Å; N1198-S1200 PolarHBondContact OD1-OG 3.37Å; S1200-A1202 PolarHBondContact O-N 3.21Å; S1200-A1202 PolarHBondContact OG-O 3.46Å |
| 1201 | K | 48.2 | Very low | 69.7 | Low | 227 Ų | 227 | 80.2 Ų | 80.2 | 99% | 0.987 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -67.1 | -18 | 166.8 | -71.5 | -173.9 | 178 | -179.3 | 0 | 111.7 | ||
| 1202 | A | 43.2 | Very low | 69.3 | Low | 45 Ų | 45 | 80.2 Ų | 80.2 | 37% | 0.372 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -68.8 | 143.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | N1198 S1200 K1204 | N1198-A1202 PolarHBondContact ND2-O 2.87Å; S1200-A1202 PolarHBondContact O-N 3.21Å; S1200-A1202 PolarHBondContact OG-O 3.46Å; A1202-K1204 WeakPolarHBondContact CB-O 3.47Å; A1202-K1204 PolarHBondContact O-N 3.43Å; A1202-K1204 VanDerWaalsContact O-N 3.1Å |
| 1203 | V | 48.6 | Very low | 69 | Low | 140 Ų | 140 | 78.2 Ų | 78.2 | 85% | 0.848 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -56.6 | -28.7 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 111 | N1198 | N1198-V1203 PolarHBondContact ND2-O 3.16Š|
| 1204 | K | 52.8 | Low | 68.8 | Low | 85 Ų | 85 | 78 Ų | 78 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | trans | -137.8 | 139.7 | 176 | -64.1 | -176.2 | -178.2 | -177.4 | 0 | 111.4 | A1202 T1258 | A1202-K1204 WeakPolarHBondContact CB-O 3.47Å; A1202-K1204 PolarHBondContact O-N 3.43Å; A1202-K1204 VanDerWaalsContact O-N 3.1Å; K1204-T1258 PolarHBondContact NZ-O 3.3Å | ||
| 1205 | S | 55.3 | Low | 68.7 | Low | 27 Ų | 27 | 77.2 Ų | 77.2 | 19% | 0.189 | 40% | 0.399 | C | S | . | . | trans | -118.8 | 136.2 | 166.6 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | K1207 N1208 | S1205-K1207 PolarHBondContact O-N 3.39Å; S1205-K1207 VanDerWaalsContact O-N 3.1Å; S1205-K1207 PolarHBondContact OG-N 2.94Å; S1205-N1208 PolarHBondContact O-N 3.21Å | ||
| 1206 | R | 61 | Low | 68.8 | Low | 161 Ų | 161 | 77.1 Ų | 77.1 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -58 | -23.5 | 173.3 | -164.6 | 174.1 | -176.2 | 171.6 | -0.7 | 112.4 | N1208 C1209 L1261 | R1206-N1208 PolarHBondContact O-N 2.94Å; R1206-C1209 PolarHBondContact O-N 3.17Å; R1206-L1261 HydrophobicContact CG-CD1 4.08Å |
| 1207 | K | 61.5 | Low | 69.1 | Low | 190 Ų | 190 | 84.3 Ų | 84.3 | 83% | 0.826 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -66.3 | -15.8 | 174 | -62.2 | -176.9 | -179.4 | 175.9 | 0 | 113.2 | S1205 | S1205-K1207 PolarHBondContact O-N 3.39Å; S1205-K1207 VanDerWaalsContact O-N 3.1Å; S1205-K1207 PolarHBondContact OG-N 2.94Å |
| 1208 | N | 72.6 | Confident | 69.7 | Low | 18 Ų | 18 | 86.7 Ų | 86.7 | 10% | 0.096 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -113.5 | 32.1 | -179.5 | -66.9 | 51.1 | 0 | 0 | 0 | 112 | F1195 G1196 V1197 N1198 S1205 R1206 | F1195-N1208 WeakPolarHBondContact CB-O 3.21Å; F1195-N1208 VanDerWaalsContact O-CA 3.32Å; F1195-N1208 WeakPolarHBondContact O-CA 3.35Å; G1196-N1208 VanDerWaalsContact C-ND2 3.35Å; G1196-N1208 PolarHBondContact O-ND2 3.29Å; V1197-N1208 PolarHBondContact O-ND2 2.76Å; N1198-N1208 WeakPolarHBondContact CA-ND2 3.47Å; N1198-N1208 PolarHBondContact N-ND2 3.26Å; S1205-N1208 PolarHBondContact O-N 3.21Å; R1206-N1208 PolarHBondContact O-N 2.94Å |
| 1209 | C | 81.9 | Confident | 71.1 | Confident | 24 Ų | 24 | 84.2 Ų | 84.2 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | trans | -130.8 | 159.7 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | R1206 H1259 L1261 | R1206-C1209 PolarHBondContact O-N 3.17Å; C1209-H1259 WeakPolarHBondContact CA-O 3.27Å; C1209-H1259 WeakPolarHBondContact CB-O 3.36Å; C1209-L1261 HydrophobicContact CB-CD1 3.93Å; C1209-L1261 HydrophobicContact CB-CD2 4.28Å; C1209-L1261 HydrophobicContact CB-CG 3.78Å | ||
| 1210 | L | 80.4 | Confident | 72.7 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147.4 | 173 | -68.2 | 171.4 | 0 | 0 | 0 | 109.8 | I1194 F1195 T1212 F1215 H1259 L1260 L1261 | I1194-L1210 HydrophobicContact CG2-CD1 4.06Å; F1195-L1210 HydrophobicContact CD1-CD1 4.18Å; F1195-L1210 HydrophobicContact CD1-CG 4.05Å; F1195-L1210 HydrophobicContact CE1-CB 4.06Å; F1195-L1210 HydrophobicContact CE1-CD1 3.96Å; F1195-L1210 HydrophobicContact CE1-CG 3.99Å; L1210-T1212 PolarHBondContact O-N 3.44Å; L1210-F1215 HydrophobicContact CB-CB 4.41Å; L1210-F1215 HydrophobicContact CD1-CD2 4.29Å; L1210-H1259 PolarHBondContact N-O 2.89Å; L1210-H1259 VanDerWaalsContact N-O 3.14Å; L1210-L1260 CarbonylContact O-C 3.46Å; L1210-L1260 VanDerWaalsContact O-CA 3.24Å; L1210-L1260 WeakPolarHBondContact O-CA 3.32Å; L1210-L1261 PolarHBondContact O-N 2.89Å |
| 1211 | A | 82.6 | Confident | 74.6 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 136.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S1213 T1214 F1215 L1261 | A1211-S1213 PolarHBondContact O-N 3.34Å; A1211-T1214 WeakPolarHBondContact O-CA 2.97Å; A1211-T1214 WeakPolarHBondContact O-CB 3.26Å; A1211-T1214 PolarHBondContact O-N 3.29Å; A1211-F1215 PolarHBondContact O-N 3.22Å; A1211-L1261 WeakPolarHBondContact CA-O 3.07Å |
| 1212 | T | 84.9 | Confident | 76.8 | Confident | 13 Ų | 13 | 68 Ų | 68 | 8% | 0.08 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -51.6 | -43.5 | -178.6 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | L1210 T1214 F1215 F1216 L1260 L1261 S1298 I1299 | L1210-T1212 PolarHBondContact O-N 3.44Å; T1212-T1214 PolarHBondContact O-N 3.19Å; T1212-F1215 PolarHBondContact O-N 3.05Å; T1212-F1216 HydrophobicContact CG2-CD2 3.63Å; T1212-F1216 HydrophobicContact CG2-CE2 3.44Å; T1212-F1216 VanDerWaalsContact CG2-CE2 3.44Å; T1212-F1216 WeakPolarHBondContact O-CD2 3.17Å; T1212-F1216 PolarHBondContact O-N 3.5Å; T1212-L1260 HydrophobicContact CG2-CD1 4.45Å; T1212-L1260 WeakPolarHBondContact OG1-CB 3.32Å; T1212-L1261 PolarHBondContact N-O 2.97Å; T1212-L1261 PolarHBondContact OG1-O 2.9Å; T1212-S1298 PolarHBondContact OG1-O 3.49Å; T1212-I1299 HydrophobicContact CG2-CG2 4.28Å |
| 1213 | S | 82.5 | Confident | 79 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 176.4 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | A1211 K1217 | A1211-S1213 PolarHBondContact O-N 3.34Å; S1213-K1217 WeakPolarHBondContact O-CB 3.4Å; S1213-K1217 PolarHBondContact O-N 2.94Å |
| 1214 | T | 84.4 | Confident | 81 | Confident | 77 Ų | 77 | 68.8 Ų | 68.8 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 177.6 | -59.8 | 0 | 0 | 0 | 0 | 111 | A1211 T1212 R1218 | A1211-T1214 WeakPolarHBondContact O-CA 2.97Å; A1211-T1214 WeakPolarHBondContact O-CB 3.26Å; A1211-T1214 PolarHBondContact O-N 3.29Å; T1212-T1214 PolarHBondContact O-N 3.19Å; T1214-R1218 WeakPolarHBondContact O-CB 3.46Å; T1214-R1218 PolarHBondContact O-N 3Å; T1214-R1218 VanDerWaalsContact O-N 3.07Å |
| 1215 | F | 90.1 | Very high | 83 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 179.2 | 177.6 | -97.7 | 0 | 0 | 0 | 111.8 | L1165 I1194 F1195 L1210 A1211 T1212 R1218 Y1219 F1222 L1256 L1260 | L1165-F1215 HydrophobicContact CD2-CZ 4.35Å; I1194-F1215 HydrophobicContact CD1-CE2 4.38Å; I1194-F1215 HydrophobicContact CG2-CD2 4.24Å; I1194-F1215 HydrophobicContact CG2-CE2 3.97Å; F1195-F1215 HydrophobicContact CZ-CD2 4.16Å; F1195-F1215 HydrophobicContact CZ-CE2 4.11Å; L1210-F1215 HydrophobicContact CB-CB 4.41Å; L1210-F1215 HydrophobicContact CD1-CD2 4.29Å; A1211-F1215 PolarHBondContact O-N 3.22Å; T1212-F1215 PolarHBondContact O-N 3.05Å; F1215-R1218 PolarHBondContact O-N 3.34Å; F1215-Y1219 AromaticContact CD2-CD2 3.71Å; F1215-Y1219 HydrophobicContact CD2-CD2 3.71Å; F1215-Y1219 AromaticContact CD2-CE2 3.97Å; F1215-Y1219 HydrophobicContact CD2-CE2 3.97Å; F1215-Y1219 AromaticContact CE2-CD2 3.51Å; F1215-Y1219 HydrophobicContact CE2-CD2 3.51Å; F1215-Y1219 AromaticContact CE2-CE2 3.81Å; F1215-Y1219 HydrophobicContact CE2-CE2 3.81Å; F1215-Y1219 HydrophobicContact CG-CD2 4.33Å; F1215-Y1219 AromaticContact CZ-CD2 3.99Å; F1215-Y1219 HydrophobicContact CZ-CD2 3.99Å; F1215-Y1219 WeakPolarHBondContact O-CD2 3.35Å; F1215-Y1219 PolarHBondContact O-N 3.29Å; F1215-F1222 AromaticContact CE1-CD1 3.54Å; F1215-F1222 HydrophobicContact CE1-CD1 3.54Å; F1215-F1222 AromaticContact CE1-CE1 3.74Å; F1215-F1222 HydrophobicContact CE1-CE1 3.74Å; F1215-F1222 AromaticContact CZ-CD1 3.87Å; F1215-F1222 HydrophobicContact CZ-CD1 3.87Å; F1215-F1222 HydrophobicContact CZ-CE1 4Å; F1215-L1256 HydrophobicContact CZ-CD2 4.04Å; F1215-L1260 HydrophobicContact CB-CD2 3.58Å; F1215-L1260 HydrophobicContact CD1-CD1 3.99Å; F1215-L1260 HydrophobicContact CD1-CD2 3.9Å; F1215-L1260 HydrophobicContact CD2-CD2 3.92Å; F1215-L1260 HydrophobicContact CE1-CD1 4.45Å; F1215-L1260 HydrophobicContact CG-CD1 4.45Å; F1215-L1260 HydrophobicContact CG-CD2 3.52Å |
| 1216 | F | 90.3 | Very high | 84.8 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.8 | -32 | 179.2 | -67.6 | -48.6 | 0 | 0 | 0 | 113.3 | T1212 R1218 Y1219 P1220 F1222 E1223 L1226 L1273 | T1212-F1216 HydrophobicContact CG2-CD2 3.63Å; T1212-F1216 HydrophobicContact CG2-CE2 3.44Å; T1212-F1216 VanDerWaalsContact CG2-CE2 3.44Å; T1212-F1216 WeakPolarHBondContact O-CD2 3.17Å; T1212-F1216 PolarHBondContact O-N 3.5Å; F1216-R1218 VanDerWaalsContact C-N 3.26Å; F1216-R1218 PolarHBondContact O-N 3.24Å; F1216-Y1219 CarbonylContact O-C 3.42Å; F1216-Y1219 PolarHBondContact O-N 2.71Å; F1216-P1220 VanDerWaalsContact O-CA 3.29Å; F1216-P1220 WeakPolarHBondContact O-CA 3.49Å; F1216-P1220 WeakPolarHBondContact O-CD 3.07Å; F1216-F1222 HydrophobicContact CE1-CD1 4.02Å; F1216-F1222 HydrophobicContact CE1-CE1 4.36Å; F1216-E1223 HydrophobicContact CB-CB 4.41Å; F1216-E1223 HydrophobicContact CD1-CB 3.57Å; F1216-E1223 HydrophobicContact CD1-CG 3.93Å; F1216-E1223 HydrophobicContact CD2-CG 4.33Å; F1216-E1223 HydrophobicContact CE1-CB 3.97Å; F1216-E1223 HydrophobicContact CE1-CG 4.16Å; F1216-E1223 HydrophobicContact CG-CB 4.06Å; F1216-E1223 HydrophobicContact CG-CG 4.03Å; F1216-E1223 HydrophobicContact CZ-CG 4.47Å; F1216-L1226 HydrophobicContact CZ-CD1 4.36Å; F1216-L1273 HydrophobicContact CE2-CD2 4.3Å |
| 1217 | K | 87.1 | Confident | 86.3 | Confident | 187 Ų | 187 | 58.4 Ų | 58.4 | 81% | 0.813 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.8 | -37.5 | 169.8 | -174.6 | 176 | -178.3 | 177.8 | 0 | 112.2 | S1213 | S1213-K1217 WeakPolarHBondContact O-CB 3.4Å; S1213-K1217 PolarHBondContact O-N 2.94Å |
| 1218 | R | 87.1 | Confident | 87.7 | Confident | 142 Ų | 142 | 55 Ų | 55 | 54% | 0.536 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -77.8 | -32.3 | 176.5 | -171.4 | 173.3 | 178.4 | 166.3 | 0.1 | 112.4 | T1214 F1215 F1216 P1220 | T1214-R1218 WeakPolarHBondContact O-CB 3.46Å; T1214-R1218 PolarHBondContact O-N 3Å; T1214-R1218 VanDerWaalsContact O-N 3.07Å; F1215-R1218 PolarHBondContact O-N 3.34Å; F1216-R1218 VanDerWaalsContact C-N 3.26Å; F1216-R1218 PolarHBondContact O-N 3.24Å; R1218-P1220 VanDerWaalsContact C-CD 3.49Å |
| 1219 | Y | 92.7 | Very high | 88.6 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | trans | -128.4 | 64.3 | -175.7 | -52.1 | -61.5 | 0 | 0 | 0 | 113.1 | L1161 Q1162 I1194 F1215 F1216 K1221 F1222 | L1161-Y1219 HydrophobicContact CB-CE1 3.96Å; Q1162-Y1219 HydrophobicContact CB-CD1 3.95Å; Q1162-Y1219 PolarHBondContact NE2-O 3.33Å; I1194-Y1219 HydrophobicContact CD1-CE2 4.28Å; I1194-Y1219 HydrophobicContact CG1-CE2 4.37Å; I1194-Y1219 HydrophobicContact CG2-CE2 4.18Å; F1215-Y1219 AromaticContact CD2-CD2 3.71Å; F1215-Y1219 HydrophobicContact CD2-CD2 3.71Å; F1215-Y1219 AromaticContact CD2-CE2 3.97Å; F1215-Y1219 HydrophobicContact CD2-CE2 3.97Å; F1215-Y1219 AromaticContact CE2-CD2 3.51Å; F1215-Y1219 HydrophobicContact CE2-CD2 3.51Å; F1215-Y1219 AromaticContact CE2-CE2 3.81Å; F1215-Y1219 HydrophobicContact CE2-CE2 3.81Å; F1215-Y1219 HydrophobicContact CG-CD2 4.33Å; F1215-Y1219 AromaticContact CZ-CD2 3.99Å; F1215-Y1219 HydrophobicContact CZ-CD2 3.99Å; F1215-Y1219 WeakPolarHBondContact O-CD2 3.35Å; F1215-Y1219 PolarHBondContact O-N 3.29Å; F1216-Y1219 CarbonylContact O-C 3.42Å; F1216-Y1219 PolarHBondContact O-N 2.71Å; Y1219-K1221 PolarHBondContact O-N 3.47Å; Y1219-F1222 WeakPolarHBondContact O-CB 3.04Å; Y1219-F1222 PolarHBondContact O-N 3.07Å | ||
| 1220 | P | 90 | Very high | 89 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | -172.3 | 23.6 | -34.7 | 0 | 0 | 0 | 114.9 | Q1162 F1216 R1218 F1222 E1223 | Q1162-P1220 VanDerWaalsContact NE2-N 3.15Å; F1216-P1220 VanDerWaalsContact O-CA 3.29Å; F1216-P1220 WeakPolarHBondContact O-CA 3.49Å; F1216-P1220 WeakPolarHBondContact O-CD 3.07Å; R1218-P1220 VanDerWaalsContact C-CD 3.49Å; P1220-F1222 PolarHBondContact O-N 3.29Å; P1220-F1222 VanDerWaalsContact O-N 3.1Å; P1220-E1223 VanDerWaalsContact O-CB 3.27Å; P1220-E1223 WeakPolarHBondContact O-CB 3.22Å; P1220-E1223 PolarHBondContact O-N 2.78Å |
| 1221 | K | 90.3 | Very high | 89.5 | Confident | 97 Ų | 97 | 53.7 Ų | 53.7 | 42% | 0.422 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.2 | -21 | 174.7 | -47.2 | -171.7 | 172.9 | -160 | 0 | 114 | E23 Q1162 Y1219 Y1225 | E23-K1221 PolarHBondContact O-NZ 3.07Å; Q1162-K1221 VanDerWaalsContact CD-CB 3.48Å; Q1162-K1221 HydrophobicContact CG-CB 4.35Å; Y1219-K1221 PolarHBondContact O-N 3.47Å; K1221-Y1225 PolarHBondContact O-N 2.61Å |
| 1222 | F | 93.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.3 | -33 | 175.7 | 179.1 | -100.3 | 0 | 0 | 0 | 111.5 | Q1162 L1165 I1166 L1169 F1215 F1216 Y1219 P1220 Y1225 L1226 L1256 | Q1162-F1222 HydrophobicContact CG-CB 4.27Å; Q1162-F1222 VanDerWaalsContact NE2-N 3.16Å; L1165-F1222 HydrophobicContact CD2-CD1 4.38Å; L1165-F1222 HydrophobicContact CD2-CD2 3.74Å; L1165-F1222 HydrophobicContact CD2-CE1 4.34Å; L1165-F1222 HydrophobicContact CD2-CE2 3.72Å; L1165-F1222 HydrophobicContact CD2-CG 4.08Å; L1165-F1222 HydrophobicContact CD2-CZ 4.03Å; L1165-F1222 HydrophobicContact CG-CD2 4.11Å; L1165-F1222 HydrophobicContact CG-CE2 3.93Å; I1166-F1222 HydrophobicContact CG1-CD2 3.98Å; L1169-F1222 HydrophobicContact CD1-CE2 3.53Å; L1169-F1222 HydrophobicContact CD1-CZ 4.01Å; F1215-F1222 AromaticContact CE1-CD1 3.54Å; F1215-F1222 HydrophobicContact CE1-CD1 3.54Å; F1215-F1222 AromaticContact CE1-CE1 3.74Å; F1215-F1222 HydrophobicContact CE1-CE1 3.74Å; F1215-F1222 AromaticContact CZ-CD1 3.87Å; F1215-F1222 HydrophobicContact CZ-CD1 3.87Å; F1215-F1222 HydrophobicContact CZ-CE1 4Å; F1216-F1222 HydrophobicContact CE1-CD1 4.02Å; F1216-F1222 HydrophobicContact CE1-CE1 4.36Å; Y1219-F1222 WeakPolarHBondContact O-CB 3.04Å; Y1219-F1222 PolarHBondContact O-N 3.07Å; P1220-F1222 PolarHBondContact O-N 3.29Å; P1220-F1222 VanDerWaalsContact O-N 3.1Å; F1222-Y1225 AromaticContact CD2-CD1 3.94Å; F1222-Y1225 HydrophobicContact CD2-CD1 3.94Å; F1222-Y1225 AromaticContact CE2-CD1 3.76Å; F1222-Y1225 HydrophobicContact CE2-CD1 3.76Å; F1222-Y1225 HydrophobicContact CE2-CE1 4.14Å; F1222-Y1225 PolarHBondContact O-N 2.92Å; F1222-L1226 HydrophobicContact CE1-CB 4.27Å; F1222-L1226 HydrophobicContact CE1-CD1 3.65Å; F1222-L1226 HydrophobicContact CZ-CB 4.4Å; F1222-L1226 HydrophobicContact CZ-CD1 3.97Å; F1222-L1226 VanDerWaalsContact O-CB 3.26Å; F1222-L1226 WeakPolarHBondContact O-CB 3.27Å; F1222-L1226 PolarHBondContact O-N 2.84Å; F1222-L1256 HydrophobicContact CE1-CD2 3.45Å; F1222-L1256 VanDerWaalsContact CE1-CD2 3.45Å; F1222-L1256 HydrophobicContact CE2-CD2 4.25Å; F1222-L1256 HydrophobicContact CZ-CD2 3.28Å |
| 1223 | E | 90.5 | Very high | 89.5 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 172.9 | -169.3 | 176.7 | -174 | 0 | 0 | 110.8 | F1216 P1220 Y1225 L1226 V1227 | F1216-E1223 HydrophobicContact CB-CB 4.41Å; F1216-E1223 HydrophobicContact CD1-CB 3.57Å; F1216-E1223 HydrophobicContact CD1-CG 3.93Å; F1216-E1223 HydrophobicContact CD2-CG 4.33Å; F1216-E1223 HydrophobicContact CE1-CB 3.97Å; F1216-E1223 HydrophobicContact CE1-CG 4.16Å; F1216-E1223 HydrophobicContact CG-CB 4.06Å; F1216-E1223 HydrophobicContact CG-CG 4.03Å; F1216-E1223 HydrophobicContact CZ-CG 4.47Å; P1220-E1223 VanDerWaalsContact O-CB 3.27Å; P1220-E1223 WeakPolarHBondContact O-CB 3.22Å; P1220-E1223 PolarHBondContact O-N 2.78Å; E1223-Y1225 PolarHBondContact O-N 2.75Å; E1223-L1226 PolarHBondContact O-N 3.3Å; E1223-V1227 WeakPolarHBondContact O-CG2 3.48Å; E1223-V1227 PolarHBondContact O-N 3.43Å |
| 1224 | H | 90.5 | Very high | 89.3 | Confident | 133 Ų | 133 | 57 Ų | 57 | 62% | 0.616 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57 | -48.4 | 174.6 | -176.1 | -70.4 | 0 | 0 | 0 | 112 | L1226 V1227 E1228 | H1224-L1226 VanDerWaalsContact C-N 3.3Å; H1224-L1226 PolarHBondContact O-N 2.94Å; H1224-V1227 PolarHBondContact O-N 3.12Å; H1224-E1228 IonicContact CE1-OE2 3.53Å; H1224-E1228 IonicContact ND1-OE2 3.52Å; H1224-E1228 WeakPolarHBondContact O-CB 3.48Å; H1224-E1228 PolarHBondContact O-N 3.41Å |
| 1225 | Y | 94.7 | Very high | 88.9 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 177.6 | 170.8 | -94.1 | 0 | 0 | 0 | 112.5 | I1166 L1169 D1170 K1221 F1222 E1223 A1229 K1249 | I1166-Y1225 HydrophobicContact CD1-CG 4.31Å; I1166-Y1225 HydrophobicContact CG1-CD1 4.09Å; I1166-Y1225 HydrophobicContact CG1-CD2 4.29Å; I1166-Y1225 HydrophobicContact CG1-CG 3.94Å; I1166-Y1225 HydrophobicContact CG2-CD2 3.74Å; I1166-Y1225 HydrophobicContact CG2-CE2 3.66Å; I1166-Y1225 HydrophobicContact CG2-CG 4.26Å; L1169-Y1225 HydrophobicContact CB-CE1 4.21Å; L1169-Y1225 WeakPolarHBondContact CB-OH 3.36Å; L1169-Y1225 HydrophobicContact CD1-CE1 3.98Å; D1170-Y1225 WeakPolarHBondContact OD1-CE2 3.33Å; D1170-Y1225 PolarHBondContact OD1-OH 2.64Å; K1221-Y1225 PolarHBondContact O-N 2.61Å; F1222-Y1225 AromaticContact CD2-CD1 3.94Å; F1222-Y1225 HydrophobicContact CD2-CD1 3.94Å; F1222-Y1225 AromaticContact CE2-CD1 3.76Å; F1222-Y1225 HydrophobicContact CE2-CD1 3.76Å; F1222-Y1225 HydrophobicContact CE2-CE1 4.14Å; F1222-Y1225 PolarHBondContact O-N 2.92Å; E1223-Y1225 PolarHBondContact O-N 2.75Å; Y1225-A1229 VanDerWaalsContact O-CB 3.22Å; Y1225-A1229 WeakPolarHBondContact O-CB 3.18Å; Y1225-A1229 PolarHBondContact O-N 3.2Å; Y1225-K1249 WeakPolarHBondContact OH-CE 3.11Å; Y1225-K1249 PolarHBondContact OH-NZ 2.97Å |
| 1226 | L | 93.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 179.8 | -177.4 | 147.5 | 0 | 0 | 0 | 110.7 | F1216 F1222 E1223 H1224 A1229 L1230 I1253 M1257 L1273 | F1216-L1226 HydrophobicContact CZ-CD1 4.36Å; F1222-L1226 HydrophobicContact CE1-CB 4.27Å; F1222-L1226 HydrophobicContact CE1-CD1 3.65Å; F1222-L1226 HydrophobicContact CZ-CB 4.4Å; F1222-L1226 HydrophobicContact CZ-CD1 3.97Å; F1222-L1226 VanDerWaalsContact O-CB 3.26Å; F1222-L1226 WeakPolarHBondContact O-CB 3.27Å; F1222-L1226 PolarHBondContact O-N 2.84Å; E1223-L1226 PolarHBondContact O-N 3.3Å; H1224-L1226 VanDerWaalsContact C-N 3.3Å; H1224-L1226 PolarHBondContact O-N 2.94Å; L1226-A1229 PolarHBondContact O-N 3.19Å; L1226-L1230 HydrophobicContact CD2-CD1 3.59Å; L1226-L1230 HydrophobicContact CD2-CG 4.33Å; L1226-L1230 HydrophobicContact CG-CD1 4.23Å; L1226-L1230 WeakPolarHBondContact O-CB 3.46Å; L1226-L1230 VanDerWaalsContact O-CG 3.28Å; L1226-L1230 WeakPolarHBondContact O-CG 3.32Å; L1226-L1230 PolarHBondContact O-N 3.31Å; L1226-I1253 HydrophobicContact CD1-CG2 3.89Å; L1226-I1253 HydrophobicContact CG-CG2 4Å; L1226-M1257 HydrophobicContact CD1-CG 4.04Å; L1226-M1257 HydrophobicContact CD1-SD 3.92Å; L1226-M1257 HydrophobicContact CD2-SD 4.31Å; L1226-L1273 HydrophobicContact CD2-CD1 3.34Å |
| 1227 | V | 91.7 | Very high | 85.9 | Confident | 32 Ų | 32 | 65 Ų | 65 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | E1223 H1224 T1231 T1272 L1276 | E1223-V1227 WeakPolarHBondContact O-CG2 3.48Å; E1223-V1227 PolarHBondContact O-N 3.43Å; H1224-V1227 PolarHBondContact O-N 3.12Å; V1227-T1231 VanDerWaalsContact O-CB 3.26Å; V1227-T1231 WeakPolarHBondContact O-CB 3.22Å; V1227-T1231 PolarHBondContact O-N 3.39Å; V1227-T1231 PolarHBondContact O-OG1 3.26Å; V1227-T1272 HydrophobicContact CG1-CG2 3.89Å; V1227-L1276 HydrophobicContact CG1-CD1 4.08Å |
| 1228 | E | 91.8 | Very high | 84.3 | Confident | 120 Ų | 120 | 63.4 Ų | 63.4 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.9 | -48.5 | 176.9 | -175.1 | -176 | 168.7 | 0 | 0 | 111.6 | H1224 T1231 W1232 | H1224-E1228 IonicContact CE1-OE2 3.53Å; H1224-E1228 IonicContact ND1-OE2 3.52Å; H1224-E1228 WeakPolarHBondContact O-CB 3.48Å; H1224-E1228 PolarHBondContact O-N 3.41Å; E1228-T1231 PolarHBondContact O-N 3.17Å; E1228-W1232 PolarHBondContact O-N 2.73Å |
| 1229 | A | 90.3 | Very high | 82.7 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1225 L1226 T1231 W1232 Y1233 I1253 | Y1225-A1229 VanDerWaalsContact O-CB 3.22Å; Y1225-A1229 WeakPolarHBondContact O-CB 3.18Å; Y1225-A1229 PolarHBondContact O-N 3.2Å; L1226-A1229 PolarHBondContact O-N 3.19Å; A1229-T1231 VanDerWaalsContact C-N 3.34Å; A1229-T1231 PolarHBondContact O-N 3.41Å; A1229-W1232 WeakPolarHBondContact O-CB 3.42Å; A1229-W1232 PolarHBondContact O-N 3.33Å; A1229-Y1233 WeakPolarHBondContact O-CD2 3.06Å; A1229-Y1233 PolarHBondContact O-N 3.22Å; A1229-I1253 HydrophobicContact CB-CD1 3.84Å |
| 1230 | L | 91.4 | Very high | 80.8 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 178.9 | -68.2 | -177.8 | 0 | 0 | 0 | 112.2 | L1226 Y1233 S1234 L1250 I1253 L1273 L1276 L1277 | L1226-L1230 HydrophobicContact CD2-CD1 3.59Å; L1226-L1230 HydrophobicContact CD2-CG 4.33Å; L1226-L1230 HydrophobicContact CG-CD1 4.23Å; L1226-L1230 WeakPolarHBondContact O-CB 3.46Å; L1226-L1230 VanDerWaalsContact O-CG 3.28Å; L1226-L1230 WeakPolarHBondContact O-CG 3.32Å; L1226-L1230 PolarHBondContact O-N 3.31Å; L1230-Y1233 PolarHBondContact O-N 2.95Å; L1230-S1234 PolarHBondContact O-N 3.21Å; L1230-L1250 HydrophobicContact CD2-CD1 3.51Å; L1230-I1253 HydrophobicContact CD2-CG2 4.25Å; L1230-L1273 HydrophobicContact CD1-CD1 3.85Å; L1230-L1276 HydrophobicContact CB-CB 4Å; L1230-L1276 HydrophobicContact CB-CD1 3.92Å; L1230-L1276 HydrophobicContact CB-CD2 4.39Å; L1230-L1276 HydrophobicContact CB-CG 4.32Å; L1230-L1276 HydrophobicContact CD1-CB 4.22Å; L1230-L1277 HydrophobicContact CD1-CD2 4.38Å |
| 1231 | T | 89.9 | Confident | 79 | Confident | 51 Ų | 51 | 67 Ų | 67 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 175.9 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | V1227 E1228 A1229 Y1233 S1234 T1235 L1276 | V1227-T1231 VanDerWaalsContact O-CB 3.26Å; V1227-T1231 WeakPolarHBondContact O-CB 3.22Å; V1227-T1231 PolarHBondContact O-N 3.39Å; V1227-T1231 PolarHBondContact O-OG1 3.26Å; E1228-T1231 PolarHBondContact O-N 3.17Å; A1229-T1231 VanDerWaalsContact C-N 3.34Å; A1229-T1231 PolarHBondContact O-N 3.41Å; T1231-Y1233 VanDerWaalsContact C-N 3.28Å; T1231-Y1233 PolarHBondContact O-N 2.86Å; T1231-S1234 WeakPolarHBondContact CA-OG 3.43Å; T1231-S1234 WeakPolarHBondContact O-CA 3.3Å; T1231-S1234 PolarHBondContact O-N 3.12Å; T1231-S1234 PolarHBondContact O-OG 3.45Å; T1231-T1235 HydrophobicContact CG2-CG2 4.26Å; T1231-T1235 PolarHBondContact O-N 3.18Å; T1231-T1235 PolarHBondContact O-OG1 2.92Å; T1231-L1276 WeakPolarHBondContact OG1-CD1 3.35Å |
| 1232 | W | 85 | Confident | 77.7 | Confident | 111 Ų | 111 | 63.9 Ų | 63.9 | 42% | 0.42 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.4 | -39.4 | 175.9 | -178.1 | 89.3 | 0 | 0 | 0 | 112.9 | E1228 A1229 S1234 T1235 N1236 | E1228-W1232 PolarHBondContact O-N 2.73Å; A1229-W1232 WeakPolarHBondContact O-CB 3.42Å; A1229-W1232 PolarHBondContact O-N 3.33Å; W1232-S1234 VanDerWaalsContact C-N 3.34Å; W1232-T1235 PolarHBondContact O-OG1 2.95Å; W1232-N1236 WeakPolarHBondContact CZ2-ND2 3.18Å; W1232-N1236 PolarHBondContact O-N 3.34Å |
| 1233 | Y | 82.5 | Confident | 76.3 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 8% | 0.078 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.6 | -32.8 | 173.8 | -71.7 | -75.6 | 0 | 0 | 0 | 112.8 | A1229 L1230 T1231 S1246 K1249 L1250 | A1229-Y1233 WeakPolarHBondContact O-CD2 3.06Å; A1229-Y1233 PolarHBondContact O-N 3.22Å; L1230-Y1233 PolarHBondContact O-N 2.95Å; T1231-Y1233 VanDerWaalsContact C-N 3.28Å; T1231-Y1233 PolarHBondContact O-N 2.86Å; Y1233-S1246 WeakPolarHBondContact CE1-O 3.43Å; Y1233-S1246 PolarHBondContact OH-O 2.77Å; Y1233-K1249 WeakPolarHBondContact OH-CB 3.18Å; Y1233-L1250 HydrophobicContact CD1-CB 4.4Å; Y1233-L1250 HydrophobicContact CD1-CD2 4.04Å; Y1233-L1250 HydrophobicContact CD2-CB 4.37Å; Y1233-L1250 HydrophobicContact CD2-CD1 4.02Å; Y1233-L1250 HydrophobicContact CD2-CD2 4.49Å; Y1233-L1250 HydrophobicContact CE1-CB 3.96Å; Y1233-L1250 HydrophobicContact CE1-CD2 4.38Å; Y1233-L1250 HydrophobicContact CE2-CB 4.01Å; Y1233-L1250 HydrophobicContact CE2-CD1 4.32Å; Y1233-L1250 HydrophobicContact CG-CD1 4.4Å; Y1233-L1250 HydrophobicContact CG-CD2 4.11Å |
| 1234 | S | 79.5 | Confident | 75.3 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.3 | -36.3 | 178.9 | 73.7 | 0 | 0 | 0 | 0 | 113.1 | L1230 T1231 W1232 | L1230-S1234 PolarHBondContact O-N 3.21Å; T1231-S1234 WeakPolarHBondContact CA-OG 3.43Å; T1231-S1234 WeakPolarHBondContact O-CA 3.3Å; T1231-S1234 PolarHBondContact O-N 3.12Å; T1231-S1234 PolarHBondContact O-OG 3.45Å; W1232-S1234 VanDerWaalsContact C-N 3.34Å |
| 1235 | T | 75.2 | Confident | 74.4 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -83.4 | -23.3 | -175.9 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | T1231 W1232 T1237 | T1231-T1235 HydrophobicContact CG2-CG2 4.26Å; T1231-T1235 PolarHBondContact O-N 3.18Å; T1231-T1235 PolarHBondContact O-OG1 2.92Å; W1232-T1235 PolarHBondContact O-OG1 2.95Å; T1235-T1237 VanDerWaalsContact C-N 3.28Å; T1235-T1237 PolarHBondContact O-N 2.87Å |
| 1236 | N | 68.1 | Low | 73.7 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | trans | -79 | 77.2 | 176.9 | -84.9 | 18.1 | 0 | 0 | 0 | 110.9 | W1232 K1238 | W1232-N1236 WeakPolarHBondContact CZ2-ND2 3.18Å; W1232-N1236 PolarHBondContact O-N 3.34Å; N1236-K1238 PolarHBondContact O-N 2.95Å; N1236-K1238 VanDerWaalsContact O-N 3.12Å | ||
| 1237 | T | 49.4 | Very low | 73.3 | Confident | 107 Ų | 107 | 63 Ų | 63 | 66% | 0.656 | 33% | 0.328 | S | S | * | . | trans | -61.7 | -16.4 | -174.1 | 52.7 | 0 | 0 | 0 | 0 | 115.8 | T1235 F1239 | T1235-T1237 VanDerWaalsContact C-N 3.28Å; T1235-T1237 PolarHBondContact O-N 2.87Å; T1237-F1239 WeakPolarHBondContact O-CD2 3.05Å; T1237-F1239 PolarHBondContact O-N 3.29Å | ||
| 1238 | K | 54.3 | Low | 73.2 | Confident | 154 Ų | 154 | 64.4 Ų | 64.4 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | trans | -78 | 75.1 | 172.3 | -67.1 | -176.7 | -176.7 | -180 | 0 | 109.2 | N1236 H1240 S1241 I1242 | N1236-K1238 PolarHBondContact O-N 2.95Å; N1236-K1238 VanDerWaalsContact O-N 3.12Å; K1238-H1240 PolarHBondContact O-N 3.03Å; K1238-S1241 WeakPolarHBondContact CB-OG 3.48Å; K1238-S1241 PolarHBondContact O-N 3.07Å; K1238-S1241 PolarHBondContact O-OG 3.38Å; K1238-I1242 PolarHBondContact O-N 3.12Å | ||
| 1239 | F | 53.3 | Low | 73.2 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -47.6 | -35.7 | 176 | -76.3 | -84 | 0 | 0 | 0 | 112.3 | T1237 S1241 | T1237-F1239 WeakPolarHBondContact O-CD2 3.05Å; T1237-F1239 PolarHBondContact O-N 3.29Å; F1239-S1241 VanDerWaalsContact C-N 3.35Å; F1239-S1241 PolarHBondContact O-N 3.04Å |
| 1240 | H | 51.8 | Low | 73.4 | Confident | 164 Ų | 164 | 60 Ų | 60 | 76% | 0.759 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -78.5 | -10.6 | 179.1 | -64.8 | 11 | 0 | 0 | 0 | 114.8 | K1238 D1284 | K1238-H1240 PolarHBondContact O-N 3.03Å; H1240-D1284 IonicContact CE1-OD2 2.8Å; H1240-D1284 IonicContact ND1-OD2 3.71Å |
| 1241 | S | 52 | Low | 73.5 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 52% | 0.524 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -108.9 | 5.2 | 176.7 | 79.6 | 0 | 0 | 0 | 0 | 113.8 | K1238 F1239 P1243 | K1238-S1241 WeakPolarHBondContact CB-OG 3.48Å; K1238-S1241 PolarHBondContact O-N 3.07Å; K1238-S1241 PolarHBondContact O-OG 3.38Å; F1239-S1241 VanDerWaalsContact C-N 3.35Å; F1239-S1241 PolarHBondContact O-N 3.04Å; S1241-P1243 WeakPolarHBondContact O-CD 3.43Å |
| 1242 | I | 62.8 | Low | 73.7 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 16% | 0.159 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -70.9 | 122.4 | 172.8 | -59.5 | 174.5 | 0 | 0 | 0 | 107.5 | K1238 H1244 | K1238-I1242 PolarHBondContact O-N 3.12Å; I1242-H1244 PolarHBondContact O-N 3.24Å |
| 1243 | P | 63.9 | Low | 74.2 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 25% | 0.247 | 30% | 0.296 | C | S | . | . | trans | -58.6 | 134 | 178.1 | -20.3 | 29.7 | 0 | 0 | 0 | 110.1 | S1241 S1245 S1246 | S1241-P1243 WeakPolarHBondContact O-CD 3.43Å; P1243-S1245 PolarHBondContact O-N 3.02Å; P1243-S1246 VanDerWaalsContact O-CB 3.28Å; P1243-S1246 WeakPolarHBondContact O-CB 3.27Å; P1243-S1246 PolarHBondContact O-N 2.79Å; P1243-S1246 PolarHBondContact O-OG 3.44Å | ||
| 1244 | H | 69.9 | Low | 74.8 | Confident | 121 Ų | 121 | 56.4 Ų | 56.4 | 56% | 0.56 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -53.2 | -30.8 | 179.7 | -169.3 | 67.7 | 0 | 0 | 0 | 112.8 | I1242 S1246 S1247 F1248 | I1242-H1244 PolarHBondContact O-N 3.24Å; H1244-S1246 VanDerWaalsContact C-N 3.27Å; H1244-S1246 PolarHBondContact O-N 3.39Å; H1244-S1247 WeakPolarHBondContact O-CB 3.15Å; H1244-S1247 PolarHBondContact O-N 3.11Å; H1244-F1248 AromaticContact CD2-CE2 3.57Å; H1244-F1248 AromaticContact NE2-CE2 3.7Å; H1244-F1248 AromaticContact NE2-CZ 3.83Å; H1244-F1248 VanDerWaalsContact O-CD2 3.28Å; H1244-F1248 WeakPolarHBondContact O-CD2 3Å |
| 1245 | S | 71.2 | Confident | 75.4 | Confident | 10 Ų | 10 | 58 Ų | 58 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -35.4 | 173.9 | 63.8 | 0 | 0 | 0 | 0 | 113.3 | G1173 C1174 P1243 S1247 F1248 | G1173-S1245 WeakPolarHBondContact O-CB 3.26Å; G1173-S1245 PolarHBondContact O-OG 3.48Å; C1174-S1245 WeakPolarHBondContact O-CB 3.46Å; P1243-S1245 PolarHBondContact O-N 3.02Å; S1245-S1247 VanDerWaalsContact C-N 3.27Å; S1245-S1247 PolarHBondContact O-N 3.45Å; S1245-F1248 PolarHBondContact O-N 3Å |
| 1246 | S | 81 | Confident | 76.3 | Confident | 13 Ų | 13 | 54 Ų | 54 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -29.7 | 179.6 | -35.4 | 0 | 0 | 0 | 0 | 111.2 | Y1233 P1243 H1244 F1248 K1249 L1250 | Y1233-S1246 WeakPolarHBondContact CE1-O 3.43Å; Y1233-S1246 PolarHBondContact OH-O 2.77Å; P1243-S1246 VanDerWaalsContact O-CB 3.28Å; P1243-S1246 WeakPolarHBondContact O-CB 3.27Å; P1243-S1246 PolarHBondContact O-N 2.79Å; P1243-S1246 PolarHBondContact O-OG 3.44Å; H1244-S1246 VanDerWaalsContact C-N 3.27Å; H1244-S1246 PolarHBondContact O-N 3.39Å; S1246-F1248 VanDerWaalsContact C-N 3.27Å; S1246-F1248 PolarHBondContact O-N 2.98Å; S1246-K1249 PolarHBondContact O-N 2.96Å; S1246-L1250 PolarHBondContact O-N 2.77Å; S1246-L1250 VanDerWaalsContact O-N 3.1Å |
| 1247 | S | 84.4 | Confident | 77.4 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 16% | 0.161 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -31.4 | 177 | -58 | 0 | 0 | 0 | 0 | 112.6 | H1244 S1245 L1250 Y1251 | H1244-S1247 WeakPolarHBondContact O-CB 3.15Å; H1244-S1247 PolarHBondContact O-N 3.11Å; S1245-S1247 VanDerWaalsContact C-N 3.27Å; S1245-S1247 PolarHBondContact O-N 3.45Å; S1247-L1250 PolarHBondContact O-N 3.23Å; S1247-Y1251 WeakPolarHBondContact O-CB 3.49Å; S1247-Y1251 PolarHBondContact O-N 2.95Å |
| 1248 | F | 89 | Confident | 79.2 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 27% | 0.272 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 175.8 | -66.2 | -89.3 | 0 | 0 | 0 | 112.3 | V1172 H1244 S1245 S1246 Y1251 S1252 | V1172-F1248 HydrophobicContact CG1-CB 3.87Å; H1244-F1248 AromaticContact CD2-CE2 3.57Å; H1244-F1248 AromaticContact NE2-CE2 3.7Å; H1244-F1248 AromaticContact NE2-CZ 3.83Å; H1244-F1248 VanDerWaalsContact O-CD2 3.28Å; H1244-F1248 WeakPolarHBondContact O-CD2 3Å; S1245-F1248 PolarHBondContact O-N 3Å; S1246-F1248 VanDerWaalsContact C-N 3.27Å; S1246-F1248 PolarHBondContact O-N 2.98Å; F1248-Y1251 PolarHBondContact O-N 3.24Å; F1248-S1252 WeakPolarHBondContact O-CB 3.19Å; F1248-S1252 PolarHBondContact O-N 3.49Å; F1248-S1252 PolarHBondContact O-OG 3.11Å |
| 1249 | K | 93.3 | Very high | 80.8 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 15% | 0.148 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 174.6 | 172.2 | 174.4 | 172.7 | 172.4 | 0 | 110.6 | D1170 Y1225 Y1233 S1246 S1252 I1253 | D1170-K1249 IonicContact OD1-NZ 3.72Å; D1170-K1249 PolarHBondContact OD1-NZ 3.47Å; Y1225-K1249 WeakPolarHBondContact OH-CE 3.11Å; Y1225-K1249 PolarHBondContact OH-NZ 2.97Å; Y1233-K1249 WeakPolarHBondContact OH-CB 3.18Å; S1246-K1249 PolarHBondContact O-N 2.96Å; K1249-S1252 PolarHBondContact O-N 2.88Å; K1249-I1253 HydrophobicContact CG-CD1 4.03Å; K1249-I1253 WeakPolarHBondContact O-CG1 3.46Å; K1249-I1253 PolarHBondContact O-N 2.9Å |
| 1250 | L | 93.4 | Very high | 82.5 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 176.1 | 179.8 | 55.1 | 0 | 0 | 0 | 111.7 | L1230 Y1233 S1246 S1247 S1252 I1253 L1254 I1288 | L1230-L1250 HydrophobicContact CD2-CD1 3.51Å; Y1233-L1250 HydrophobicContact CD1-CB 4.4Å; Y1233-L1250 HydrophobicContact CD1-CD2 4.04Å; Y1233-L1250 HydrophobicContact CD2-CB 4.37Å; Y1233-L1250 HydrophobicContact CD2-CD1 4.02Å; Y1233-L1250 HydrophobicContact CD2-CD2 4.49Å; Y1233-L1250 HydrophobicContact CE1-CB 3.96Å; Y1233-L1250 HydrophobicContact CE1-CD2 4.38Å; Y1233-L1250 HydrophobicContact CE2-CB 4.01Å; Y1233-L1250 HydrophobicContact CE2-CD1 4.32Å; Y1233-L1250 HydrophobicContact CG-CD1 4.4Å; Y1233-L1250 HydrophobicContact CG-CD2 4.11Å; S1246-L1250 PolarHBondContact O-N 2.77Å; S1246-L1250 VanDerWaalsContact O-N 3.1Å; S1247-L1250 PolarHBondContact O-N 3.23Å; L1250-S1252 VanDerWaalsContact C-N 3.28Å; L1250-S1252 PolarHBondContact O-N 3.34Å; L1250-I1253 PolarHBondContact O-N 3.19Å; L1250-L1254 HydrophobicContact CD1-CD1 3.98Å; L1250-L1254 HydrophobicContact CD1-CG 4.13Å; L1250-L1254 HydrophobicContact CG-CD1 4.02Å; L1250-L1254 WeakPolarHBondContact O-CG 3.31Å; L1250-L1254 PolarHBondContact O-N 2.9Å; L1250-I1288 HydrophobicContact CD2-CD1 4Å; L1250-I1288 HydrophobicContact CD2-CG2 3.9Å; L1250-I1288 HydrophobicContact CG-CD1 4.38Å; L1250-I1288 HydrophobicContact CG-CG2 4.25Å |
| 1251 | Y | 93 | Very high | 83.9 | Confident | 95 Ų | 95 | 32.4 Ų | 32.4 | 37% | 0.373 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.6 | -41.6 | 176.9 | -175 | -88.3 | 0 | 0 | 0 | 111.9 | S1247 F1248 L1254 H1255 R1287 I1291 | S1247-Y1251 WeakPolarHBondContact O-CB 3.49Å; S1247-Y1251 PolarHBondContact O-N 2.95Å; F1248-Y1251 PolarHBondContact O-N 3.24Å; Y1251-L1254 PolarHBondContact O-N 3.33Å; Y1251-H1255 HydrophobicContact CE1-CB 4.5Å; Y1251-H1255 WeakPolarHBondContact O-CB 3.48Å; Y1251-H1255 PolarHBondContact O-N 3.01Å; Y1251-R1287 HydrophobicContact CD2-CB 4.32Å; Y1251-R1287 HydrophobicContact CE2-CB 4.06Å; Y1251-I1291 HydrophobicContact CD2-CD1 4.29Å; Y1251-I1291 HydrophobicContact CD2-CG2 3.86Å; Y1251-I1291 HydrophobicContact CE1-CD1 3.99Å; Y1251-I1291 HydrophobicContact CE2-CB 4.19Å; Y1251-I1291 HydrophobicContact CE2-CD1 3.74Å; Y1251-I1291 HydrophobicContact CE2-CG2 3.97Å |
| 1252 | S | 95.4 | Very high | 85.2 | Confident | 13 Ų | 13 | 30.1 Ų | 30.1 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.2 | -34.6 | -179.8 | -56.9 | 0 | 0 | 0 | 0 | 113.1 | Y1187 F1248 K1249 L1250 L1256 | Y1187-S1252 PolarHBondContact OH-O 2.97Å; F1248-S1252 WeakPolarHBondContact O-CB 3.19Å; F1248-S1252 PolarHBondContact O-N 3.49Å; F1248-S1252 PolarHBondContact O-OG 3.11Å; K1249-S1252 PolarHBondContact O-N 2.88Å; L1250-S1252 VanDerWaalsContact C-N 3.28Å; L1250-S1252 PolarHBondContact O-N 3.34Å; S1252-L1256 WeakPolarHBondContact O-CB 3.23Å; S1252-L1256 PolarHBondContact O-N 2.88Å |
| 1253 | I | 96 | Very high | 85.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.9 | -50.1 | 171.7 | -69.7 | 167.9 | 0 | 0 | 0 | 109.7 | L1169 L1226 A1229 L1230 K1249 L1250 H1255 L1256 M1257 | L1169-I1253 HydrophobicContact CD1-CG1 4.17Å; L1169-I1253 HydrophobicContact CD2-CG1 4.1Å; L1226-I1253 HydrophobicContact CD1-CG2 3.89Å; L1226-I1253 HydrophobicContact CG-CG2 4Å; A1229-I1253 HydrophobicContact CB-CD1 3.84Å; L1230-I1253 HydrophobicContact CD2-CG2 4.25Å; K1249-I1253 HydrophobicContact CG-CD1 4.03Å; K1249-I1253 WeakPolarHBondContact O-CG1 3.46Å; K1249-I1253 PolarHBondContact O-N 2.9Å; L1250-I1253 PolarHBondContact O-N 3.19Å; I1253-H1255 VanDerWaalsContact C-N 3.34Å; I1253-H1255 PolarHBondContact O-N 3.4Å; I1253-L1256 WeakPolarHBondContact O-CB 3.23Å; I1253-L1256 PolarHBondContact O-N 3.25Å; I1253-M1257 WeakPolarHBondContact O-CG 3.37Å; I1253-M1257 PolarHBondContact O-N 2.96Å; I1253-M1257 VanDerWaalsContact O-N 3.07Å |
| 1254 | L | 94.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 179.6 | -64.6 | 170.3 | 0 | 0 | 0 | 111.4 | L1250 Y1251 L1256 M1257 T1258 L1277 C1280 I1288 I1291 A1295 | L1250-L1254 HydrophobicContact CD1-CD1 3.98Å; L1250-L1254 HydrophobicContact CD1-CG 4.13Å; L1250-L1254 HydrophobicContact CG-CD1 4.02Å; L1250-L1254 WeakPolarHBondContact O-CG 3.31Å; L1250-L1254 PolarHBondContact O-N 2.9Å; Y1251-L1254 PolarHBondContact O-N 3.33Å; L1254-L1256 VanDerWaalsContact C-N 3.34Å; L1254-L1256 PolarHBondContact O-N 2.8Å; L1254-M1257 WeakPolarHBondContact O-CB 3.19Å; L1254-M1257 PolarHBondContact O-N 3.42Å; L1254-M1257 VanDerWaalsContact O-N 3.12Å; L1254-T1258 WeakPolarHBondContact O-CG2 3.15Å; L1254-T1258 PolarHBondContact O-N 2.81Å; L1254-L1277 HydrophobicContact CD2-CD2 3.67Å; L1254-C1280 HydrophobicContact CD1-CB 4.38Å; L1254-C1280 HydrophobicContact CD2-CB 4.38Å; L1254-I1288 HydrophobicContact CD1-CG2 3.78Å; L1254-I1291 HydrophobicContact CB-CB 4.5Å; L1254-I1291 HydrophobicContact CB-CG1 4.27Å; L1254-I1291 HydrophobicContact CB-CG2 3.64Å; L1254-I1291 HydrophobicContact CD1-CG2 3.77Å; L1254-I1291 HydrophobicContact CG-CG2 4.37Å; L1254-A1295 HydrophobicContact CB-CB 4.46Å; L1254-A1295 HydrophobicContact CD2-CB 4Å |
| 1255 | H | 92.6 | Very high | 85.1 | Confident | 61 Ų | 61 | 30.9 Ų | 30.9 | 28% | 0.282 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 173.6 | 176.6 | -93.6 | 0 | 0 | 0 | 111.8 | Y1187 Y1251 I1253 M1257 T1258 H1259 I1291 | Y1187-H1255 AromaticContact CZ-ND1 3.91Å; Y1187-H1255 PolarHBondContact OH-ND1 3.4Å; Y1251-H1255 HydrophobicContact CE1-CB 4.5Å; Y1251-H1255 WeakPolarHBondContact O-CB 3.48Å; Y1251-H1255 PolarHBondContact O-N 3.01Å; I1253-H1255 VanDerWaalsContact C-N 3.34Å; I1253-H1255 PolarHBondContact O-N 3.4Å; H1255-M1257 VanDerWaalsContact C-N 3.29Å; H1255-M1257 PolarHBondContact O-N 3.17Å; H1255-T1258 WeakPolarHBondContact O-CB 3.46Å; H1255-T1258 PolarHBondContact O-N 3.41Å; H1255-T1258 PolarHBondContact O-OG1 3.02Å; H1255-H1259 AromaticContact CE1-NE2 3.27Å; H1255-H1259 PolarHBondContact CE1-NE2 3.17Å; H1255-H1259 VanDerWaalsContact CE1-NE2 3.27Å; H1255-H1259 AromaticContact ND1-NE2 3.94Å; H1255-H1259 AromaticContact NE2-NE2 3.73Å; H1255-H1259 PolarHBondContact O-CD2 3.38Å; H1255-I1291 VanDerWaalsContact CA-CD1 3.49Å; H1255-I1291 HydrophobicContact CB-CD1 3.61Å |
| 1256 | L | 93.7 | Very high | 84.4 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.1 | -44.3 | 175.2 | -175.3 | 81.7 | 0 | 0 | 0 | 111.2 | L1165 Y1187 V1191 F1195 F1215 F1222 S1252 I1253 L1254 T1258 H1259 | L1165-L1256 HydrophobicContact CD1-CD1 4.4Å; L1165-L1256 HydrophobicContact CD1-CD2 4.44Å; L1165-L1256 HydrophobicContact CD2-CD2 3.89Å; Y1187-L1256 PolarHBondContact OH-N 3.13Å; V1191-L1256 HydrophobicContact CG2-CD1 3.86Å; F1195-L1256 HydrophobicContact CE2-CD1 3.73Å; F1195-L1256 HydrophobicContact CZ-CD1 4.41Å; F1215-L1256 HydrophobicContact CZ-CD2 4.04Å; F1222-L1256 HydrophobicContact CE1-CD2 3.45Å; F1222-L1256 VanDerWaalsContact CE1-CD2 3.45Å; F1222-L1256 HydrophobicContact CE2-CD2 4.25Å; F1222-L1256 HydrophobicContact CZ-CD2 3.28Å; S1252-L1256 WeakPolarHBondContact O-CB 3.23Å; S1252-L1256 PolarHBondContact O-N 2.88Å; I1253-L1256 WeakPolarHBondContact O-CB 3.23Å; I1253-L1256 PolarHBondContact O-N 3.25Å; L1254-L1256 VanDerWaalsContact C-N 3.34Å; L1254-L1256 PolarHBondContact O-N 2.8Å; L1256-T1258 PolarHBondContact O-N 2.88Å; L1256-H1259 WeakPolarHBondContact O-CB 3.45Å; L1256-H1259 PolarHBondContact O-N 2.61Å; L1256-H1259 VanDerWaalsContact O-N 3.12Å |
| 1257 | M | 91.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -27.1 | 177.6 | -67.4 | -168.7 | 69.8 | 0 | 0 | 113 | L1226 I1253 L1254 H1255 H1259 L1260 L1273 L1277 A1295 S1298 I1299 | L1226-M1257 HydrophobicContact CD1-CG 4.04Å; L1226-M1257 HydrophobicContact CD1-SD 3.92Å; L1226-M1257 HydrophobicContact CD2-SD 4.31Å; I1253-M1257 WeakPolarHBondContact O-CG 3.37Å; I1253-M1257 PolarHBondContact O-N 2.96Å; I1253-M1257 VanDerWaalsContact O-N 3.07Å; L1254-M1257 WeakPolarHBondContact O-CB 3.19Å; L1254-M1257 PolarHBondContact O-N 3.42Å; L1254-M1257 VanDerWaalsContact O-N 3.12Å; H1255-M1257 VanDerWaalsContact C-N 3.29Å; H1255-M1257 PolarHBondContact O-N 3.17Å; M1257-H1259 PolarHBondContact O-N 3.27Å; M1257-L1260 VanDerWaalsContact O-CB 3.31Å; M1257-L1260 WeakPolarHBondContact O-CB 3.4Å; M1257-L1260 PolarHBondContact O-N 3.39Å; M1257-L1273 HydrophobicContact CE-CD1 4.27Å; M1257-L1273 HydrophobicContact CE-CD2 4.19Å; M1257-L1277 HydrophobicContact CE-CD1 3.69Å; M1257-L1277 HydrophobicContact CE-CD2 4.18Å; M1257-L1277 HydrophobicContact CE-CG 4.41Å; M1257-L1277 HydrophobicContact SD-CD1 4.46Å; M1257-L1277 HydrophobicContact SD-CD2 3.85Å; M1257-A1295 HydrophobicContact CB-CB 3.79Å; M1257-S1298 WeakPolarHBondContact O-CB 3.48Å; M1257-I1299 HydrophobicContact CE-CG2 4.11Å |
| 1258 | T | 87 | Confident | 82.1 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9 | 176.6 | 79.9 | 0 | 0 | 0 | 0 | 114.7 | K1204 L1254 H1255 L1256 I1291 L1294 A1295 | K1204-T1258 PolarHBondContact NZ-O 3.3Å; L1254-T1258 WeakPolarHBondContact O-CG2 3.15Å; L1254-T1258 PolarHBondContact O-N 2.81Å; H1255-T1258 WeakPolarHBondContact O-CB 3.46Å; H1255-T1258 PolarHBondContact O-N 3.41Å; H1255-T1258 PolarHBondContact O-OG1 3.02Å; L1256-T1258 PolarHBondContact O-N 2.88Å; T1258-I1291 HydrophobicContact CG2-CD1 4.33Å; T1258-I1291 HydrophobicContact CG2-CG1 3.58Å; T1258-L1294 HydrophobicContact CG2-CB 3.94Å; T1258-A1295 HydrophobicContact CG2-CB 4.43Å |
| 1259 | H | 86.7 | Confident | 80.8 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 2.8 | 168.6 | -65.5 | -83.2 | 0 | 0 | 0 | 112.9 | F1195 C1209 L1210 H1255 L1256 M1257 | F1195-H1259 HydrophobicContact CD1-CB 3.91Å; F1195-H1259 HydrophobicContact CD2-CB 3.97Å; F1195-H1259 HydrophobicContact CE1-CB 3.69Å; F1195-H1259 WeakPolarHBondContact CE1-O 3.5Å; F1195-H1259 HydrophobicContact CE2-CB 3.76Å; F1195-H1259 HydrophobicContact CG-CB 4.04Å; F1195-H1259 HydrophobicContact CZ-CB 3.62Å; C1209-H1259 WeakPolarHBondContact CA-O 3.27Å; C1209-H1259 WeakPolarHBondContact CB-O 3.36Å; L1210-H1259 PolarHBondContact N-O 2.89Å; L1210-H1259 VanDerWaalsContact N-O 3.14Å; H1255-H1259 AromaticContact CE1-NE2 3.27Å; H1255-H1259 PolarHBondContact CE1-NE2 3.17Å; H1255-H1259 VanDerWaalsContact CE1-NE2 3.27Å; H1255-H1259 AromaticContact ND1-NE2 3.94Å; H1255-H1259 AromaticContact NE2-NE2 3.73Å; H1255-H1259 PolarHBondContact O-CD2 3.38Å; L1256-H1259 WeakPolarHBondContact O-CB 3.45Å; L1256-H1259 PolarHBondContact O-N 2.61Å; L1256-H1259 VanDerWaalsContact O-N 3.12Å; M1257-H1259 PolarHBondContact O-N 3.27Å |
| 1260 | L | 88.9 | Confident | 79.9 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 143.9 | 177.4 | -55.8 | -179.8 | 0 | 0 | 0 | 110.5 | F1195 L1210 T1212 F1215 M1257 S1298 | F1195-L1260 HydrophobicContact CE1-CD2 3.98Å; F1195-L1260 HydrophobicContact CZ-CD2 3.93Å; L1210-L1260 CarbonylContact O-C 3.46Å; L1210-L1260 VanDerWaalsContact O-CA 3.24Å; L1210-L1260 WeakPolarHBondContact O-CA 3.32Å; T1212-L1260 HydrophobicContact CG2-CD1 4.45Å; T1212-L1260 WeakPolarHBondContact OG1-CB 3.32Å; F1215-L1260 HydrophobicContact CB-CD2 3.58Å; F1215-L1260 HydrophobicContact CD1-CD1 3.99Å; F1215-L1260 HydrophobicContact CD1-CD2 3.9Å; F1215-L1260 HydrophobicContact CD2-CD2 3.92Å; F1215-L1260 HydrophobicContact CE1-CD1 4.45Å; F1215-L1260 HydrophobicContact CG-CD1 4.45Å; F1215-L1260 HydrophobicContact CG-CD2 3.52Å; M1257-L1260 VanDerWaalsContact O-CB 3.31Å; M1257-L1260 WeakPolarHBondContact O-CB 3.4Å; M1257-L1260 PolarHBondContact O-N 3.39Å; L1260-S1298 WeakPolarHBondContact O-CB 3.39Å |
| 1261 | L | 82.6 | Confident | 79.4 | Confident | 48 Ų | 48 | 46 Ų | 46 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 149 | 174.8 | -64.8 | 169.9 | 0 | 0 | 0 | 109.7 | R1206 C1209 L1210 A1211 T1212 S1298 | R1206-L1261 HydrophobicContact CG-CD1 4.08Å; C1209-L1261 HydrophobicContact CB-CD1 3.93Å; C1209-L1261 HydrophobicContact CB-CD2 4.28Å; C1209-L1261 HydrophobicContact CB-CG 3.78Å; L1210-L1261 PolarHBondContact O-N 2.89Å; A1211-L1261 WeakPolarHBondContact CA-O 3.07Å; T1212-L1261 PolarHBondContact N-O 2.97Å; T1212-L1261 PolarHBondContact OG1-O 2.9Å; L1261-S1298 CarbonylContact C-O 3.54Å |
| 1262 | P | 77.8 | Confident | 79.1 | Confident | 27 Ų | 27 | 44.9 Ų | 44.9 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -51.9 | 148 | 171.4 | 24.2 | -33.4 | 0 | 0 | 0 | 110.5 | T1264 S1298 I1300 | P1262-T1264 PolarHBondContact O-N 3.47Å; P1262-S1298 VanDerWaalsContact CA-O 3.23Å; P1262-S1298 WeakPolarHBondContact CA-O 3.4Å; P1262-I1300 WeakPolarHBondContact CB-O 3.28Å |
| 1263 | S | 69.3 | Low | 78.7 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -52.9 | 139.2 | 173.6 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | Q1265 H1301 | S1263-Q1265 VanDerWaalsContact CB-O 3.23Å; S1263-Q1265 WeakPolarHBondContact CB-O 3.31Å; S1263-Q1265 PolarHBondContact O-N 2.99Å; S1263-Q1265 PolarHBondContact OG-N 2.97Å; S1263-Q1265 PolarHBondContact OG-O 3.12Å; S1263-H1301 PolarHBondContact O-CD2 3.04Å |
| 1264 | T | 65.8 | Low | 78.5 | Confident | 118 Ų | 118 | 45.7 Ų | 45.7 | 72% | 0.724 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -71.7 | -19.3 | 174.6 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | P1262 | P1262-T1264 PolarHBondContact O-N 3.47Š|
| 1265 | Q | 60.8 | Low | 78.3 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -105.4 | 146 | 174.5 | -64.2 | 166.2 | 12.8 | 0 | 0 | 108.8 | D312 S1263 A1267 | D312-Q1265 PolarHBondContact OD1-NE2 3.45Å; D312-Q1265 PolarHBondContact OD2-NE2 3.34Å; S1263-Q1265 VanDerWaalsContact CB-O 3.23Å; S1263-Q1265 WeakPolarHBondContact CB-O 3.31Å; S1263-Q1265 PolarHBondContact O-N 2.99Å; S1263-Q1265 PolarHBondContact OG-N 2.97Å; S1263-Q1265 PolarHBondContact OG-O 3.12Å; Q1265-A1267 PolarHBondContact O-N 2.97Å |
| 1266 | V | 55.6 | Low | 78.3 | Confident | 40 Ų | 40 | 50 Ų | 50 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | trans | -66.5 | 82.1 | 168.4 | -168.6 | 0 | 0 | 0 | 0 | 108 | Y310 H1301 | Y310-V1266 HydrophobicContact CD2-CB 3.47Å; Y310-V1266 VanDerWaalsContact CD2-CB 3.47Å; Y310-V1266 HydrophobicContact CD2-CG1 4.48Å; Y310-V1266 HydrophobicContact CD2-CG2 3.53Å; Y310-V1266 HydrophobicContact CE2-CB 3.75Å; Y310-V1266 HydrophobicContact CE2-CG1 4.33Å; Y310-V1266 HydrophobicContact CE2-CG2 4.13Å; Y310-V1266 HydrophobicContact CG-CB 4.27Å; Y310-V1266 HydrophobicContact CG-CG2 3.81Å; V1266-H1301 VanDerWaalsContact CG2-CE1 3.45Å; V1266-H1301 WeakPolarHBondContact CG2-CE1 3.5Å | ||
| 1267 | A | 56.6 | Low | 78.3 | Confident | 54 Ų | 54 | 50 Ų | 50 | 45% | 0.446 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 146.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q1265 I1269 | Q1265-A1267 PolarHBondContact O-N 2.97Å; A1267-I1269 PolarHBondContact O-N 2.62Å; A1267-I1269 VanDerWaalsContact O-N 3.13Å |
| 1268 | E | 61.3 | Low | 78.4 | Confident | 155 Ų | 155 | 50.2 Ų | 50.2 | 72% | 0.724 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 124.1 | 167.3 | -160.7 | 178.2 | 178.6 | 0 | 0 | 107.3 | D1270 K1271 | E1268-D1270 PolarHBondContact O-N 3.06Å; E1268-K1271 VanDerWaalsContact OE1-CE 3.29Å; E1268-K1271 WeakPolarHBondContact OE1-CE 3.29Å; E1268-K1271 IonicContact OE1-NZ 2.97Å; E1268-K1271 PolarHBondContact OE1-NZ 3.16Å |
| 1269 | I | 60.9 | Low | 78.5 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 17% | 0.169 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 126.1 | 177 | -61 | 167.4 | 0 | 0 | 0 | 106 | A1267 K1271 Y1274 I1299 I1300 V1304 | A1267-I1269 PolarHBondContact O-N 2.62Å; A1267-I1269 VanDerWaalsContact O-N 3.13Å; I1269-K1271 VanDerWaalsContact C-N 3.33Å; I1269-K1271 PolarHBondContact O-N 3.4Å; I1269-Y1274 HydrophobicContact CG2-CD2 4.39Å; I1269-Y1274 HydrophobicContact CG2-CG 4.21Å; I1269-I1299 HydrophobicContact CG2-CD1 4.25Å; I1269-I1300 HydrophobicContact CD1-CD1 3.81Å; I1269-I1300 HydrophobicContact CG2-CD1 4.34Å; I1269-V1304 HydrophobicContact CD1-CB 3.96Å; I1269-V1304 HydrophobicContact CD1-CG1 3.71Å; I1269-V1304 HydrophobicContact CD1-CG2 4.25Å |
| 1270 | D | 74.6 | Confident | 78.7 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 31% | 0.305 | 28% | 0.279 | S | S | . | . | trans | -58.2 | 102.3 | 171.2 | 176.3 | -6.2 | 0 | 0 | 0 | 108 | E1268 T1272 L1273 Y1274 | E1268-D1270 PolarHBondContact O-N 3.06Å; D1270-T1272 PolarHBondContact O-N 3.23Å; D1270-T1272 VanDerWaalsContact O-N 3.15Å; D1270-T1272 WeakPolarHBondContact OD1-CA 3.42Å; D1270-T1272 WeakPolarHBondContact OD1-CB 3.22Å; D1270-T1272 PolarHBondContact OD1-N 2.96Å; D1270-T1272 PolarHBondContact OD1-OG1 3.21Å; D1270-L1273 HydrophobicContact CB-CB 3.97Å; D1270-L1273 PolarHBondContact O-N 2.75Å; D1270-L1273 VanDerWaalsContact O-N 3.15Å; D1270-L1273 PolarHBondContact OD1-N 3.1Å; D1270-Y1274 WeakPolarHBondContact O-CB 3.48Å; D1270-Y1274 PolarHBondContact O-N 3.11Å | ||
| 1271 | K | 82.6 | Confident | 78.6 | Confident | 122 Ų | 122 | 54 Ų | 54 | 53% | 0.53 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.5 | -30 | -175.5 | -68.2 | 175.6 | -174.2 | 151.1 | 0 | 110.8 | E1268 I1269 K1275 | E1268-K1271 VanDerWaalsContact OE1-CE 3.29Å; E1268-K1271 WeakPolarHBondContact OE1-CE 3.29Å; E1268-K1271 IonicContact OE1-NZ 2.97Å; E1268-K1271 PolarHBondContact OE1-NZ 3.16Å; I1269-K1271 VanDerWaalsContact C-N 3.33Å; I1269-K1271 PolarHBondContact O-N 3.4Å; K1271-K1275 WeakPolarHBondContact O-CB 3.28Å; K1271-K1275 WeakPolarHBondContact O-CD 3.33Å; K1271-K1275 WeakPolarHBondContact O-CG 3.4Å; K1271-K1275 PolarHBondContact O-N 3.37Å; K1271-K1275 VanDerWaalsContact O-N 3.09Å |
| 1272 | T | 86.5 | Confident | 78.9 | Confident | 72 Ų | 72 | 53 Ų | 53 | 44% | 0.442 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70 | -55.3 | 177.5 | -47.4 | 0 | 0 | 0 | 0 | 109.6 | V1227 D1270 Y1274 K1275 L1276 | V1227-T1272 HydrophobicContact CG1-CG2 3.89Å; D1270-T1272 PolarHBondContact O-N 3.23Å; D1270-T1272 VanDerWaalsContact O-N 3.15Å; D1270-T1272 WeakPolarHBondContact OD1-CA 3.42Å; D1270-T1272 WeakPolarHBondContact OD1-CB 3.22Å; D1270-T1272 PolarHBondContact OD1-N 2.96Å; D1270-T1272 PolarHBondContact OD1-OG1 3.21Å; T1272-Y1274 VanDerWaalsContact C-N 3.31Å; T1272-Y1274 PolarHBondContact O-N 2.82Å; T1272-K1275 PolarHBondContact O-N 2.95Å; T1272-L1276 HydrophobicContact CG2-CD1 4.04Å; T1272-L1276 VanDerWaalsContact O-CG 3.25Å; T1272-L1276 WeakPolarHBondContact O-CG 3.33Å; T1272-L1276 PolarHBondContact O-N 3.32Å |
| 1273 | L | 87.9 | Confident | 79.3 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 179.3 | -177.3 | 55.9 | 0 | 0 | 0 | 112.3 | F1216 L1226 L1230 M1257 D1270 L1276 L1277 I1299 | F1216-L1273 HydrophobicContact CE2-CD2 4.3Å; L1226-L1273 HydrophobicContact CD2-CD1 3.34Å; L1230-L1273 HydrophobicContact CD1-CD1 3.85Å; M1257-L1273 HydrophobicContact CE-CD1 4.27Å; M1257-L1273 HydrophobicContact CE-CD2 4.19Å; D1270-L1273 HydrophobicContact CB-CB 3.97Å; D1270-L1273 PolarHBondContact O-N 2.75Å; D1270-L1273 VanDerWaalsContact O-N 3.15Å; D1270-L1273 PolarHBondContact OD1-N 3.1Å; L1273-L1276 PolarHBondContact O-N 3.38Å; L1273-L1277 HydrophobicContact CD1-CD1 4.44Å; L1273-L1277 HydrophobicContact CD1-CG 4.26Å; L1273-L1277 HydrophobicContact CG-CD1 4.35Å; L1273-L1277 WeakPolarHBondContact O-CG 3.28Å; L1273-L1277 PolarHBondContact O-N 2.93Å; L1273-I1299 HydrophobicContact CD2-CG2 3.84Å; L1273-I1299 HydrophobicContact CG-CD1 4.42Å; L1273-I1299 HydrophobicContact CG-CG2 4.45Å |
| 1274 | Y | 91.5 | Very high | 79.9 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.5 | -55.1 | 173.5 | 173.5 | -107.5 | 0 | 0 | 0 | 111.9 | I1269 D1270 T1272 L1276 L1277 I1278 L1296 I1299 I1300 T1308 H1311 | I1269-Y1274 HydrophobicContact CG2-CD2 4.39Å; I1269-Y1274 HydrophobicContact CG2-CG 4.21Å; D1270-Y1274 WeakPolarHBondContact O-CB 3.48Å; D1270-Y1274 PolarHBondContact O-N 3.11Å; T1272-Y1274 VanDerWaalsContact C-N 3.31Å; T1272-Y1274 PolarHBondContact O-N 2.82Å; Y1274-L1276 VanDerWaalsContact C-N 3.27Å; Y1274-L1276 PolarHBondContact O-N 3.49Å; Y1274-L1277 PolarHBondContact O-N 3.46Å; Y1274-I1278 HydrophobicContact CD2-CG1 4.24Å; Y1274-I1278 HydrophobicContact CE1-CG1 4.11Å; Y1274-I1278 HydrophobicContact CE2-CD1 3.85Å; Y1274-I1278 HydrophobicContact CE2-CG1 3.81Å; Y1274-I1278 WeakPolarHBondContact O-CG1 3.38Å; Y1274-I1278 PolarHBondContact O-N 2.89Å; Y1274-L1296 HydrophobicContact CD2-CD1 3.94Å; Y1274-L1296 HydrophobicContact CE2-CD1 4.07Å; Y1274-I1299 HydrophobicContact CD2-CD1 4.3Å; Y1274-I1300 HydrophobicContact CD2-CD1 3.76Å; Y1274-I1300 HydrophobicContact CE2-CD1 3.9Å; Y1274-T1308 HydrophobicContact CE2-CG2 3.79Å; Y1274-H1311 AromaticContact CE1-CE1 3.85Å; Y1274-H1311 AromaticContact CE1-ND1 3.64Å; Y1274-H1311 AromaticContact CZ-ND1 3.67Å; Y1274-H1311 PolarHBondContact OH-ND1 3.48Å |
| 1275 | K | 91.5 | Very high | 80.7 | Confident | 139 Ų | 139 | 50.1 Ų | 50.1 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -55.2 | -45.4 | 177.5 | -75.8 | 172.4 | -178.1 | -176.6 | 0 | 110.9 | K1271 T1272 L1277 I1278 W1279 | K1271-K1275 WeakPolarHBondContact O-CB 3.28Å; K1271-K1275 WeakPolarHBondContact O-CD 3.33Å; K1271-K1275 WeakPolarHBondContact O-CG 3.4Å; K1271-K1275 PolarHBondContact O-N 3.37Å; K1271-K1275 VanDerWaalsContact O-N 3.09Å; T1272-K1275 PolarHBondContact O-N 2.95Å; K1275-L1277 PolarHBondContact O-N 3.28Å; K1275-I1278 PolarHBondContact O-N 3.44Å; K1275-W1279 VanDerWaalsContact O-CD1 3.23Å; K1275-W1279 PolarHBondContact O-N 3.37Å |
| 1276 | L | 92.1 | Very high | 81.9 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.6 | -39.7 | -179.6 | -68.3 | 171.9 | 0 | 0 | 0 | 113.1 | V1227 L1230 T1231 T1272 L1273 Y1274 W1279 C1280 | V1227-L1276 HydrophobicContact CG1-CD1 4.08Å; L1230-L1276 HydrophobicContact CB-CB 4Å; L1230-L1276 HydrophobicContact CB-CD1 3.92Å; L1230-L1276 HydrophobicContact CB-CD2 4.39Å; L1230-L1276 HydrophobicContact CB-CG 4.32Å; L1230-L1276 HydrophobicContact CD1-CB 4.22Å; T1231-L1276 WeakPolarHBondContact OG1-CD1 3.35Å; T1272-L1276 HydrophobicContact CG2-CD1 4.04Å; T1272-L1276 VanDerWaalsContact O-CG 3.25Å; T1272-L1276 WeakPolarHBondContact O-CG 3.33Å; T1272-L1276 PolarHBondContact O-N 3.32Å; L1273-L1276 PolarHBondContact O-N 3.38Å; Y1274-L1276 VanDerWaalsContact C-N 3.27Å; Y1274-L1276 PolarHBondContact O-N 3.49Å; L1276-W1279 PolarHBondContact O-N 3.48Å; L1276-C1280 PolarHBondContact O-N 3.37Å; L1276-C1280 PolarHBondContact O-SG 2.96Å |
| 1277 | L | 92.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.3 | -37.8 | 176 | -72.1 | 178.4 | 0 | 0 | 0 | 112.9 | L1230 L1254 M1257 L1273 Y1274 K1275 W1279 C1280 G1281 A1295 L1296 I1299 Q1342 | L1230-L1277 HydrophobicContact CD1-CD2 4.38Å; L1254-L1277 HydrophobicContact CD2-CD2 3.67Å; M1257-L1277 HydrophobicContact CE-CD1 3.69Å; M1257-L1277 HydrophobicContact CE-CD2 4.18Å; M1257-L1277 HydrophobicContact CE-CG 4.41Å; M1257-L1277 HydrophobicContact SD-CD1 4.46Å; M1257-L1277 HydrophobicContact SD-CD2 3.85Å; L1273-L1277 HydrophobicContact CD1-CD1 4.44Å; L1273-L1277 HydrophobicContact CD1-CG 4.26Å; L1273-L1277 HydrophobicContact CG-CD1 4.35Å; L1273-L1277 WeakPolarHBondContact O-CG 3.28Å; L1273-L1277 PolarHBondContact O-N 2.93Å; Y1274-L1277 PolarHBondContact O-N 3.46Å; K1275-L1277 PolarHBondContact O-N 3.28Å; L1277-W1279 VanDerWaalsContact C-N 3.33Å; L1277-C1280 WeakPolarHBondContact O-CB 3.37Å; L1277-C1280 PolarHBondContact O-N 2.88Å; L1277-G1281 PolarHBondContact O-N 3.4Å; L1277-A1295 HydrophobicContact CD2-CB 4.17Å; L1277-L1296 HydrophobicContact CB-CD1 4.06Å; L1277-L1296 HydrophobicContact CD1-CD1 4.38Å; L1277-I1299 HydrophobicContact CD1-CD1 3.61Å; L1277-I1299 HydrophobicContact CD1-CG1 3.9Å; L1277-I1299 HydrophobicContact CD1-CG2 4.35Å; L1277-Q1342 PolarHBondContact O-NE2 3.17Å |
| 1278 | I | 92.9 | Very high | 84.9 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.6 | -49.7 | 171.2 | -65.4 | -50.9 | 0 | 0 | 0 | 109.7 | Y1274 K1275 C1280 G1281 F1282 L1296 L1312 L1315 Q1342 | Y1274-I1278 HydrophobicContact CD2-CG1 4.24Å; Y1274-I1278 HydrophobicContact CE1-CG1 4.11Å; Y1274-I1278 HydrophobicContact CE2-CD1 3.85Å; Y1274-I1278 HydrophobicContact CE2-CG1 3.81Å; Y1274-I1278 WeakPolarHBondContact O-CG1 3.38Å; Y1274-I1278 PolarHBondContact O-N 2.89Å; K1275-I1278 PolarHBondContact O-N 3.44Å; I1278-C1280 VanDerWaalsContact C-N 3.31Å; I1278-C1280 PolarHBondContact O-N 3.1Å; I1278-G1281 WeakPolarHBondContact O-CA 3.13Å; I1278-G1281 PolarHBondContact O-N 3.13Å; I1278-F1282 HydrophobicContact CG2-CE1 4.08Å; I1278-F1282 HydrophobicContact CG2-CE2 4.23Å; I1278-F1282 HydrophobicContact CG2-CZ 3.56Å; I1278-L1296 HydrophobicContact CD1-CD1 3.98Å; I1278-L1296 HydrophobicContact CD1-CD2 3.72Å; I1278-L1312 HydrophobicContact CD1-CD2 3.66Å; I1278-L1315 HydrophobicContact CG2-CD1 3.89Å; I1278-Q1342 PolarHBondContact O-NE2 3.34Å |
| 1279 | W | 89.7 | Confident | 86.3 | Confident | 125 Ų | 125 | 44.6 Ų | 44.6 | 47% | 0.473 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.9 | -36.5 | 175.8 | -90.2 | 84.4 | 0 | 0 | 0 | 113.6 | K1275 L1276 L1277 G1281 F1282 | K1275-W1279 VanDerWaalsContact O-CD1 3.23Å; K1275-W1279 PolarHBondContact O-N 3.37Å; L1276-W1279 PolarHBondContact O-N 3.48Å; L1277-W1279 VanDerWaalsContact C-N 3.33Å; W1279-G1281 PolarHBondContact O-N 2.87Å; W1279-F1282 HydrophobicContact CD2-CD2 4.26Å; W1279-F1282 HydrophobicContact CE3-CD2 4.32Å; W1279-F1282 HydrophobicContact CG-CD2 4.43Å; W1279-F1282 VanDerWaalsContact O-CB 3.32Å; W1279-F1282 WeakPolarHBondContact O-CB 3.18Å; W1279-F1282 PolarHBondContact O-N 2.86Å |
| 1280 | C | 90.7 | Very high | 87.5 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 5% | 0.054 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -24.2 | 173.5 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | L1254 L1276 L1277 I1278 F1282 S1292 | L1254-C1280 HydrophobicContact CD1-CB 4.38Å; L1254-C1280 HydrophobicContact CD2-CB 4.38Å; L1276-C1280 PolarHBondContact O-N 3.37Å; L1276-C1280 PolarHBondContact O-SG 2.96Å; L1277-C1280 WeakPolarHBondContact O-CB 3.37Å; L1277-C1280 PolarHBondContact O-N 2.88Å; I1278-C1280 VanDerWaalsContact C-N 3.31Å; I1278-C1280 PolarHBondContact O-N 3.1Å; C1280-F1282 PolarHBondContact O-N 3.05Å; C1280-S1292 PolarHBondContact O-OG 3.13Å |
| 1281 | G | 88.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.9 | 170 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1277 I1278 W1279 N1283 R1289 S1292 G1338 | L1277-G1281 PolarHBondContact O-N 3.4Å; I1278-G1281 WeakPolarHBondContact O-CA 3.13Å; I1278-G1281 PolarHBondContact O-N 3.13Å; W1279-G1281 PolarHBondContact O-N 2.87Å; G1281-N1283 VanDerWaalsContact C-N 3.32Å; G1281-N1283 PolarHBondContact O-N 3.19Å; G1281-R1289 VanDerWaalsContact O-CD 3.22Å; G1281-R1289 WeakPolarHBondContact O-CD 3.36Å; G1281-R1289 WeakPolarHBondContact O-CG 3.41Å; G1281-S1292 WeakPolarHBondContact CA-OG 3.29Å; G1281-S1292 PolarHBondContact N-OG 2.71Å; G1281-G1338 VanDerWaalsContact O-CA 3.25Å; G1281-G1338 WeakPolarHBondContact O-CA 3.4Å |
| 1282 | F | 88.6 | Confident | 88.6 | Confident | 26 Ų | 26 | 40.4 Ų | 40.4 | 11% | 0.114 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 1.2 | -176.3 | -56.7 | -15.5 | 0 | 0 | 0 | 113.6 | I1278 W1279 C1280 I1335 L1339 | I1278-F1282 HydrophobicContact CG2-CE1 4.08Å; I1278-F1282 HydrophobicContact CG2-CE2 4.23Å; I1278-F1282 HydrophobicContact CG2-CZ 3.56Å; W1279-F1282 HydrophobicContact CD2-CD2 4.26Å; W1279-F1282 HydrophobicContact CE3-CD2 4.32Å; W1279-F1282 HydrophobicContact CG-CD2 4.43Å; W1279-F1282 VanDerWaalsContact O-CB 3.32Å; W1279-F1282 WeakPolarHBondContact O-CB 3.18Å; W1279-F1282 PolarHBondContact O-N 2.86Å; C1280-F1282 PolarHBondContact O-N 3.05Å; F1282-I1335 HydrophobicContact CB-CG1 3.9Å; F1282-I1335 HydrophobicContact CD1-CB 4.27Å; F1282-I1335 HydrophobicContact CD1-CG1 4.31Å; F1282-I1335 HydrophobicContact CD1-CG2 3.75Å; F1282-I1335 HydrophobicContact CE1-CG2 3.9Å; F1282-I1335 HydrophobicContact CG-CG1 4.06Å; F1282-I1335 HydrophobicContact CG-CG2 4.2Å; F1282-I1335 HydrophobicContact CZ-CG2 4.42Å; F1282-L1339 HydrophobicContact CE1-CD1 4.37Å; F1282-L1339 HydrophobicContact CE1-CD2 3.65Å; F1282-L1339 HydrophobicContact CE1-CG 3.83Å; F1282-L1339 HydrophobicContact CZ-CD2 4.15Å |
| 1283 | N | 85.9 | Confident | 88.9 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | trans | -66 | 148.1 | -174.7 | -161.6 | -77.1 | 0 | 0 | 0 | 112.8 | G1281 D1285 I1288 R1289 | G1281-N1283 VanDerWaalsContact C-N 3.32Å; G1281-N1283 PolarHBondContact O-N 3.19Å; N1283-D1285 VanDerWaalsContact C-N 3.33Å; N1283-D1285 PolarHBondContact O-N 3.22Å; N1283-D1285 PolarHBondContact OD1-N 3.29Å; N1283-I1288 HydrophobicContact CB-CB 4.08Å; N1283-I1288 HydrophobicContact CB-CG2 3.69Å; N1283-R1289 WeakPolarHBondContact O-CD 3.22Å; N1283-R1289 WeakPolarHBondContact O-CG 3.26Å; N1283-R1289 PolarHBondContact O-NH1 3.3Å | ||
| 1284 | D | 82.2 | Confident | 88.8 | Confident | 50 Ų | 50 | 40.1 Ų | 40.1 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -68.2 | -27.9 | 178 | -71.6 | -32.6 | 0 | 0 | 0 | 113.6 | H1240 I1286 R1289 N1334 | H1240-D1284 IonicContact CE1-OD2 2.8Å; H1240-D1284 IonicContact ND1-OD2 3.71Å; D1284-I1286 PolarHBondContact O-N 3.5Å; D1284-R1289 PolarHBondContact O-NH1 3.02Å; D1284-N1334 PolarHBondContact OD1-ND2 2.85Å |
| 1285 | D | 82.9 | Confident | 88.8 | Confident | 32 Ų | 32 | 38.9 Ų | 38.9 | 17% | 0.171 | 18% | 0.175 | C | C | . | . | trans | -77.1 | 115.8 | 176.4 | -169.7 | -29.5 | 0 | 0 | 0 | 111 | N1283 R1287 I1288 R1289 | N1283-D1285 VanDerWaalsContact C-N 3.33Å; N1283-D1285 PolarHBondContact O-N 3.22Å; N1283-D1285 PolarHBondContact OD1-N 3.29Å; D1285-R1287 PolarHBondContact O-N 3.21Å; D1285-R1287 VanDerWaalsContact O-N 3.14Å; D1285-R1287 WeakPolarHBondContact OD1-CB 3.42Å; D1285-R1287 WeakPolarHBondContact OD1-CG 3.46Å; D1285-R1287 IonicContact OD1-CZ 3.49Å; D1285-R1287 PolarHBondContact OD1-N 2.96Å; D1285-R1287 IonicContact OD1-NE 2.65Å; D1285-R1287 PolarHBondContact OD1-NE 3.42Å; D1285-R1287 VanDerWaalsContact OD1-NE 3.1Å; D1285-R1287 IonicContact OD1-NH2 3.76Å; D1285-R1287 IonicContact OD2-CZ 2.7Å; D1285-R1287 IonicContact OD2-NE 3.3Å; D1285-R1287 PolarHBondContact OD2-NE 2.84Å; D1285-R1287 IonicContact OD2-NH2 2.85Å; D1285-R1287 PolarHBondContact OD2-NH2 3.23Å; D1285-I1288 HydrophobicContact CB-CB 4.22Å; D1285-I1288 HydrophobicContact CB-CD1 3.96Å; D1285-I1288 HydrophobicContact CB-CG1 3.91Å; D1285-I1288 PolarHBondContact O-N 3.42Å; D1285-R1289 PolarHBondContact O-N 3.21Å; D1285-R1289 VanDerWaalsContact O-N 3.12Å | ||
| 1286 | I | 85 | Confident | 88.8 | Confident | 59 Ų | 59 | 32.2 Ų | 32.2 | 30% | 0.303 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -56.3 | -30.7 | 178.5 | -168.1 | 166.6 | 0 | 0 | 0 | 113.2 | D1284 K1290 I1398 | D1284-I1286 PolarHBondContact O-N 3.5Å; I1286-K1290 HydrophobicContact CG1-CD 4.47Å; I1286-K1290 WeakPolarHBondContact O-CB 3.48Å; I1286-K1290 WeakPolarHBondContact O-CG 3.46Å; I1286-K1290 PolarHBondContact O-N 2.89Å; I1286-I1398 HydrophobicContact CD1-CD1 4.46Å |
| 1287 | R | 85.9 | Confident | 88.5 | Confident | 129 Ų | 129 | 32.6 Ų | 32.6 | 49% | 0.487 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -68.9 | -39.3 | 178.1 | -59.3 | 172.1 | -68 | -174.3 | 2.1 | 110.8 | Y1251 D1285 K1290 I1291 | Y1251-R1287 HydrophobicContact CD2-CB 4.32Å; Y1251-R1287 HydrophobicContact CE2-CB 4.06Å; D1285-R1287 PolarHBondContact O-N 3.21Å; D1285-R1287 VanDerWaalsContact O-N 3.14Å; D1285-R1287 WeakPolarHBondContact OD1-CB 3.42Å; D1285-R1287 WeakPolarHBondContact OD1-CG 3.46Å; D1285-R1287 IonicContact OD1-CZ 3.49Å; D1285-R1287 PolarHBondContact OD1-N 2.96Å; D1285-R1287 IonicContact OD1-NE 2.65Å; D1285-R1287 PolarHBondContact OD1-NE 3.42Å; D1285-R1287 VanDerWaalsContact OD1-NE 3.1Å; D1285-R1287 IonicContact OD1-NH2 3.76Å; D1285-R1287 IonicContact OD2-CZ 2.7Å; D1285-R1287 IonicContact OD2-NE 3.3Å; D1285-R1287 PolarHBondContact OD2-NE 2.84Å; D1285-R1287 IonicContact OD2-NH2 2.85Å; D1285-R1287 PolarHBondContact OD2-NH2 3.23Å; R1287-K1290 PolarHBondContact O-N 2.84Å; R1287-I1291 WeakPolarHBondContact O-CG2 3.38Å; R1287-I1291 PolarHBondContact O-N 3.06Å |
| 1288 | I | 89.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.2 | -44.7 | 177.4 | -62.8 | -176.8 | 0 | 0 | 0 | 110 | L1250 L1254 N1283 D1285 K1290 I1291 S1292 | L1250-I1288 HydrophobicContact CD2-CD1 4Å; L1250-I1288 HydrophobicContact CD2-CG2 3.9Å; L1250-I1288 HydrophobicContact CG-CD1 4.38Å; L1250-I1288 HydrophobicContact CG-CG2 4.25Å; L1254-I1288 HydrophobicContact CD1-CG2 3.78Å; N1283-I1288 HydrophobicContact CB-CB 4.08Å; N1283-I1288 HydrophobicContact CB-CG2 3.69Å; D1285-I1288 HydrophobicContact CB-CB 4.22Å; D1285-I1288 HydrophobicContact CB-CD1 3.96Å; D1285-I1288 HydrophobicContact CB-CG1 3.91Å; D1285-I1288 PolarHBondContact O-N 3.42Å; I1288-K1290 PolarHBondContact O-N 2.77Å; I1288-I1291 WeakPolarHBondContact O-CG2 3.24Å; I1288-I1291 PolarHBondContact O-N 3.41Å; I1288-S1292 VanDerWaalsContact O-CB 3.23Å; I1288-S1292 WeakPolarHBondContact O-CB 3.28Å; I1288-S1292 PolarHBondContact O-N 2.76Å; I1288-S1292 PolarHBondContact O-OG 3.29Å |
| 1289 | R | 89.9 | Confident | 87.9 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 5% | 0.045 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 175.4 | -60 | -164.6 | -66.2 | -94 | 10.7 | 113.2 | G1281 N1283 D1284 D1285 S1292 S1293 N1334 H1337 L1341 | G1281-R1289 VanDerWaalsContact O-CD 3.22Å; G1281-R1289 WeakPolarHBondContact O-CD 3.36Å; G1281-R1289 WeakPolarHBondContact O-CG 3.41Å; N1283-R1289 WeakPolarHBondContact O-CD 3.22Å; N1283-R1289 WeakPolarHBondContact O-CG 3.26Å; N1283-R1289 PolarHBondContact O-NH1 3.3Å; D1284-R1289 PolarHBondContact O-NH1 3.02Å; D1285-R1289 PolarHBondContact O-N 3.21Å; D1285-R1289 VanDerWaalsContact O-N 3.12Å; R1289-S1292 WeakPolarHBondContact CA-OG 3.45Å; R1289-S1292 PolarHBondContact O-OG 2.87Å; R1289-S1293 PolarHBondContact O-N 3.29Å; R1289-S1293 VanDerWaalsContact O-N 3.13Å; R1289-N1334 VanDerWaalsContact CD-O 3.26Å; R1289-N1334 WeakPolarHBondContact CD-O 3.05Å; R1289-N1334 VanDerWaalsContact NH1-CG 3.35Å; R1289-N1334 PolarHBondContact NH1-OD1 2.86Å; R1289-N1334 PolarHBondContact NH2-OD1 2.99Å; R1289-H1337 PolarHBondContact NE-ND1 3.26Å; R1289-H1337 VanDerWaalsContact NE-ND1 3.13Å; R1289-H1337 PolarHBondContact NH2-ND1 3.13Å; R1289-L1341 HydrophobicContact CB-CD1 3.9Å |
| 1290 | K | 86.2 | Confident | 87.7 | Confident | 114 Ų | 114 | 27.5 Ų | 27.5 | 50% | 0.496 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -66.6 | -41.3 | 178.3 | -76.8 | -179.5 | 176.6 | -174.5 | 0 | 112.5 | I1286 R1287 I1288 S1293 L1341 | I1286-K1290 HydrophobicContact CG1-CD 4.47Å; I1286-K1290 WeakPolarHBondContact O-CB 3.48Å; I1286-K1290 WeakPolarHBondContact O-CG 3.46Å; I1286-K1290 PolarHBondContact O-N 2.89Å; R1287-K1290 PolarHBondContact O-N 2.84Å; I1288-K1290 PolarHBondContact O-N 2.77Å; K1290-S1293 PolarHBondContact O-OG 3.23Å; K1290-L1341 HydrophobicContact CG-CD1 3.9Å; K1290-L1341 HydrophobicContact CG-CD2 4.4Å |
| 1291 | I | 88.6 | Confident | 87.2 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 6% | 0.056 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -80 | -29.3 | -179.4 | -158.6 | 159.2 | 0 | 0 | 0 | 112.2 | Y1251 L1254 H1255 T1258 R1287 I1288 L1294 A1295 | Y1251-I1291 HydrophobicContact CD2-CD1 4.29Å; Y1251-I1291 HydrophobicContact CD2-CG2 3.86Å; Y1251-I1291 HydrophobicContact CE1-CD1 3.99Å; Y1251-I1291 HydrophobicContact CE2-CB 4.19Å; Y1251-I1291 HydrophobicContact CE2-CD1 3.74Å; Y1251-I1291 HydrophobicContact CE2-CG2 3.97Å; L1254-I1291 HydrophobicContact CB-CB 4.5Å; L1254-I1291 HydrophobicContact CB-CG1 4.27Å; L1254-I1291 HydrophobicContact CB-CG2 3.64Å; L1254-I1291 HydrophobicContact CD1-CG2 3.77Å; L1254-I1291 HydrophobicContact CG-CG2 4.37Å; H1255-I1291 VanDerWaalsContact CA-CD1 3.49Å; H1255-I1291 HydrophobicContact CB-CD1 3.61Å; T1258-I1291 HydrophobicContact CG2-CD1 4.33Å; T1258-I1291 HydrophobicContact CG2-CG1 3.58Å; R1287-I1291 WeakPolarHBondContact O-CG2 3.38Å; R1287-I1291 PolarHBondContact O-N 3.06Å; I1288-I1291 WeakPolarHBondContact O-CG2 3.24Å; I1288-I1291 PolarHBondContact O-N 3.41Å; I1291-L1294 PolarHBondContact O-N 3.38Å; I1291-A1295 WeakPolarHBondContact O-CB 3.32Å; I1291-A1295 PolarHBondContact O-N 3.07Å |
| 1292 | S | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.7 | -37.3 | 174.6 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | C1280 G1281 I1288 R1289 L1294 A1295 L1296 | C1280-S1292 PolarHBondContact O-OG 3.13Å; G1281-S1292 WeakPolarHBondContact CA-OG 3.29Å; G1281-S1292 PolarHBondContact N-OG 2.71Å; I1288-S1292 VanDerWaalsContact O-CB 3.23Å; I1288-S1292 WeakPolarHBondContact O-CB 3.28Å; I1288-S1292 PolarHBondContact O-N 2.76Å; I1288-S1292 PolarHBondContact O-OG 3.29Å; R1289-S1292 WeakPolarHBondContact CA-OG 3.45Å; R1289-S1292 PolarHBondContact O-OG 2.87Å; S1292-L1294 VanDerWaalsContact C-N 3.29Å; S1292-L1294 PolarHBondContact O-N 3.4Å; S1292-A1295 PolarHBondContact O-N 3.28Å; S1292-L1296 PolarHBondContact O-N 2.9Å |
| 1293 | S | 92 | Very high | 85.9 | Confident | 7 Ų | 7 | 31.9 Ų | 31.9 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 173.5 | 69 | 0 | 0 | 0 | 0 | 112.2 | R1289 K1290 L1341 A1345 | R1289-S1293 PolarHBondContact O-N 3.29Å; R1289-S1293 VanDerWaalsContact O-N 3.13Å; K1290-S1293 PolarHBondContact O-OG 3.23Å; S1293-L1341 VanDerWaalsContact CB-C 3.5Å; S1293-L1341 WeakPolarHBondContact CB-O 3.33Å; S1293-A1345 VanDerWaalsContact O-CB 3.31Å; S1293-A1345 WeakPolarHBondContact O-CB 3.47Å |
| 1294 | L | 87 | Confident | 85.7 | Confident | 63 Ų | 63 | 32.4 Ų | 32.4 | 33% | 0.33 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.9 | -41.5 | 172.9 | -63.5 | 176.8 | 0 | 0 | 0 | 112 | T1258 I1291 S1292 L1296 T1297 | T1258-L1294 HydrophobicContact CG2-CB 3.94Å; I1291-L1294 PolarHBondContact O-N 3.38Å; S1292-L1294 VanDerWaalsContact C-N 3.29Å; S1292-L1294 PolarHBondContact O-N 3.4Å; L1294-L1296 VanDerWaalsContact C-N 3.27Å; L1294-L1296 PolarHBondContact O-N 3.27Å; L1294-T1297 WeakPolarHBondContact O-CB 3.35Å; L1294-T1297 PolarHBondContact O-N 3.4Å; L1294-T1297 PolarHBondContact O-OG1 3.12Å |
| 1295 | A | 90.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -35.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1254 M1257 T1258 L1277 I1291 S1292 T1297 S1298 | L1254-A1295 HydrophobicContact CB-CB 4.46Å; L1254-A1295 HydrophobicContact CD2-CB 4Å; M1257-A1295 HydrophobicContact CB-CB 3.79Å; T1258-A1295 HydrophobicContact CG2-CB 4.43Å; L1277-A1295 HydrophobicContact CD2-CB 4.17Å; I1291-A1295 WeakPolarHBondContact O-CB 3.32Å; I1291-A1295 PolarHBondContact O-N 3.07Å; S1292-A1295 PolarHBondContact O-N 3.28Å; A1295-T1297 PolarHBondContact O-N 2.81Å; A1295-S1298 WeakPolarHBondContact O-CB 3.27Å; A1295-S1298 PolarHBondContact O-N 2.97Å; A1295-S1298 VanDerWaalsContact O-N 3.11Å; A1295-S1298 PolarHBondContact O-OG 3.26Å |
| 1296 | L | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56 | -37.2 | 176.7 | -176.1 | 63.8 | 0 | 0 | 0 | 112.3 | Y1274 L1277 I1278 S1292 L1294 S1298 I1299 I1300 Q1342 L1346 | Y1274-L1296 HydrophobicContact CD2-CD1 3.94Å; Y1274-L1296 HydrophobicContact CE2-CD1 4.07Å; L1277-L1296 HydrophobicContact CB-CD1 4.06Å; L1277-L1296 HydrophobicContact CD1-CD1 4.38Å; I1278-L1296 HydrophobicContact CD1-CD1 3.98Å; I1278-L1296 HydrophobicContact CD1-CD2 3.72Å; S1292-L1296 PolarHBondContact O-N 2.9Å; L1294-L1296 VanDerWaalsContact C-N 3.27Å; L1294-L1296 PolarHBondContact O-N 3.27Å; L1296-S1298 PolarHBondContact O-N 3.06Å; L1296-S1298 VanDerWaalsContact O-N 3.14Å; L1296-I1299 HydrophobicContact CD1-CD1 4.23Å; L1296-I1299 HydrophobicContact CD1-CG1 4.32Å; L1296-I1299 WeakPolarHBondContact O-CG1 3.29Å; L1296-I1299 PolarHBondContact O-N 3.27Å; L1296-I1299 VanDerWaalsContact O-N 3.15Å; L1296-I1300 HydrophobicContact CD1-CD1 4.37Å; L1296-I1300 HydrophobicContact CD1-CG1 4.17Å; L1296-I1300 HydrophobicContact CG-CG1 4.14Å; L1296-I1300 WeakPolarHBondContact O-CG1 3.39Å; L1296-I1300 PolarHBondContact O-N 3.11Å; L1296-Q1342 HydrophobicContact CD2-CB 3.92Å; L1296-Q1342 HydrophobicContact CD2-CG 3.84Å; L1296-L1346 HydrophobicContact CD2-CD1 4.26Å |
| 1297 | T | 86.4 | Confident | 86.2 | Confident | 20 Ų | 20 | 31.9 Ų | 31.9 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.3 | -21.1 | -177.2 | 71.3 | 0 | 0 | 0 | 0 | 112.6 | L1294 A1295 I1299 A1345 L1346 S1349 | L1294-T1297 WeakPolarHBondContact O-CB 3.35Å; L1294-T1297 PolarHBondContact O-N 3.4Å; L1294-T1297 PolarHBondContact O-OG1 3.12Å; A1295-T1297 PolarHBondContact O-N 2.81Å; T1297-I1299 VanDerWaalsContact C-N 3.28Å; T1297-I1299 PolarHBondContact O-N 2.88Å; T1297-A1345 HydrophobicContact CG2-CB 3.93Å; T1297-L1346 HydrophobicContact CG2-CD2 4.4Å; T1297-S1349 WeakPolarHBondContact CG2-OG 3.25Å |
| 1298 | S | 85.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.7 | 177.8 | 72.4 | 0 | 0 | 0 | 0 | 114.5 | T1212 M1257 L1260 L1261 P1262 A1295 L1296 | T1212-S1298 PolarHBondContact OG1-O 3.49Å; M1257-S1298 WeakPolarHBondContact O-CB 3.48Å; L1260-S1298 WeakPolarHBondContact O-CB 3.39Å; L1261-S1298 CarbonylContact C-O 3.54Å; P1262-S1298 VanDerWaalsContact CA-O 3.23Å; P1262-S1298 WeakPolarHBondContact CA-O 3.4Å; A1295-S1298 WeakPolarHBondContact O-CB 3.27Å; A1295-S1298 PolarHBondContact O-N 2.97Å; A1295-S1298 VanDerWaalsContact O-N 3.11Å; A1295-S1298 PolarHBondContact O-OG 3.26Å; L1296-S1298 PolarHBondContact O-N 3.06Å; L1296-S1298 VanDerWaalsContact O-N 3.14Å |
| 1299 | I | 85.8 | Confident | 86.5 | Confident | 23 Ų | 23 | 26 Ų | 26 | 12% | 0.118 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -17.4 | -178 | 63.9 | 157.8 | 0 | 0 | 0 | 113.3 | T1212 M1257 I1269 L1273 Y1274 L1277 L1296 T1297 H1301 | T1212-I1299 HydrophobicContact CG2-CG2 4.28Å; M1257-I1299 HydrophobicContact CE-CG2 4.11Å; I1269-I1299 HydrophobicContact CG2-CD1 4.25Å; L1273-I1299 HydrophobicContact CD2-CG2 3.84Å; L1273-I1299 HydrophobicContact CG-CD1 4.42Å; L1273-I1299 HydrophobicContact CG-CG2 4.45Å; Y1274-I1299 HydrophobicContact CD2-CD1 4.3Å; L1277-I1299 HydrophobicContact CD1-CD1 3.61Å; L1277-I1299 HydrophobicContact CD1-CG1 3.9Å; L1277-I1299 HydrophobicContact CD1-CG2 4.35Å; L1296-I1299 HydrophobicContact CD1-CD1 4.23Å; L1296-I1299 HydrophobicContact CD1-CG1 4.32Å; L1296-I1299 WeakPolarHBondContact O-CG1 3.29Å; L1296-I1299 PolarHBondContact O-N 3.27Å; L1296-I1299 VanDerWaalsContact O-N 3.15Å; T1297-I1299 VanDerWaalsContact C-N 3.28Å; T1297-I1299 PolarHBondContact O-N 2.88Å; I1299-H1301 PolarHBondContact O-N 3.37Å |
| 1300 | I | 86.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -88.5 | 109 | -177.2 | -57.7 | -56.9 | 0 | 0 | 0 | 109.7 | P1262 I1269 Y1274 L1296 I1305 T1308 L1346 | P1262-I1300 WeakPolarHBondContact CB-O 3.28Å; I1269-I1300 HydrophobicContact CD1-CD1 3.81Å; I1269-I1300 HydrophobicContact CG2-CD1 4.34Å; Y1274-I1300 HydrophobicContact CD2-CD1 3.76Å; Y1274-I1300 HydrophobicContact CE2-CD1 3.9Å; L1296-I1300 HydrophobicContact CD1-CD1 4.37Å; L1296-I1300 HydrophobicContact CD1-CG1 4.17Å; L1296-I1300 HydrophobicContact CG-CG1 4.14Å; L1296-I1300 WeakPolarHBondContact O-CG1 3.39Å; L1296-I1300 PolarHBondContact O-N 3.11Å; I1300-I1305 HydrophobicContact CG2-CG1 3.96Å; I1300-T1308 HydrophobicContact CD1-CG2 4.17Å; I1300-T1308 HydrophobicContact CG1-CG2 4.38Å; I1300-L1346 HydrophobicContact CB-CD2 4.03Å; I1300-L1346 HydrophobicContact CG1-CD2 4.05Å; I1300-L1346 HydrophobicContact CG2-CD2 4.09Å | ||
| 1301 | H | 80.4 | Confident | 87 | Confident | 32 Ų | 32 | 25.8 Ų | 25.8 | 15% | 0.148 | 15% | 0.146 | C | C | . | . | trans | -65 | 142.7 | 171.1 | -173.6 | -84.7 | 0 | 0 | 0 | 110.5 | S1263 V1266 I1299 S1303 V1304 | S1263-H1301 PolarHBondContact O-CD2 3.04Å; V1266-H1301 VanDerWaalsContact CG2-CE1 3.45Å; V1266-H1301 WeakPolarHBondContact CG2-CE1 3.5Å; I1299-H1301 PolarHBondContact O-N 3.37Å; H1301-S1303 VanDerWaalsContact C-N 3.25Å; H1301-S1303 PolarHBondContact ND1-N 3.44Å; H1301-S1303 VanDerWaalsContact ND1-N 3.14Å; H1301-S1303 PolarHBondContact ND1-OG 2.96Å; H1301-S1303 PolarHBondContact O-N 3.23Å; H1301-S1303 VanDerWaalsContact O-N 3.1Å; H1301-V1304 PolarHBondContact O-N 3.24Å | ||
| 1302 | P | 74.5 | Confident | 87.3 | Confident | 20 Ų | 20 | 25.3 Ų | 25.3 | 13% | 0.13 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -49.5 | -39.1 | -178.9 | -32.5 | 35.9 | 0 | 0 | 0 | 116.5 | V1304 I1305 Y1368 | P1302-V1304 PolarHBondContact O-N 3.15Å; P1302-V1304 VanDerWaalsContact O-N 3.14Å; P1302-I1305 HydrophobicContact CB-CD1 4.29Å; P1302-I1305 WeakPolarHBondContact O-CG1 3.42Å; P1302-I1305 PolarHBondContact O-N 3.36Å; P1302-Y1368 HydrophobicContact CB-CD1 3.17Å; P1302-Y1368 HydrophobicContact CB-CE1 3.74Å; P1302-Y1368 HydrophobicContact CB-CG 3.78Å; P1302-Y1368 HydrophobicContact CG-CD1 3.47Å; P1302-Y1368 VanDerWaalsContact CG-CD1 3.47Å; P1302-Y1368 HydrophobicContact CG-CE1 3.52Å; P1302-Y1368 HydrophobicContact CG-CG 4.04Å |
| 1303 | S | 75.5 | Confident | 87.4 | Confident | 74 Ų | 74 | 25.3 Ų | 25.3 | 52% | 0.517 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -61.7 | -19.5 | 179.1 | 61.5 | 0 | 0 | 0 | 0 | 114.8 | H1301 | H1301-S1303 VanDerWaalsContact C-N 3.25Å; H1301-S1303 PolarHBondContact ND1-N 3.44Å; H1301-S1303 VanDerWaalsContact ND1-N 3.14Å; H1301-S1303 PolarHBondContact ND1-OG 2.96Å; H1301-S1303 PolarHBondContact O-N 3.23Å; H1301-S1303 VanDerWaalsContact O-N 3.1Å |
| 1304 | V | 81.3 | Confident | 87.5 | Confident | 34 Ų | 34 | 28.1 Ų | 28.1 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -109.2 | 4.4 | -176.6 | -159.1 | 0 | 0 | 0 | 0 | 111.8 | I1269 H1301 P1302 M1306 T1307 T1308 | I1269-V1304 HydrophobicContact CD1-CB 3.96Å; I1269-V1304 HydrophobicContact CD1-CG1 3.71Å; I1269-V1304 HydrophobicContact CD1-CG2 4.25Å; H1301-V1304 PolarHBondContact O-N 3.24Å; P1302-V1304 PolarHBondContact O-N 3.15Å; P1302-V1304 VanDerWaalsContact O-N 3.14Å; V1304-M1306 VanDerWaalsContact C-N 3.34Å; V1304-M1306 PolarHBondContact O-N 3.3Å; V1304-T1307 PolarHBondContact O-N 2.96Å; V1304-T1308 WeakPolarHBondContact O-CB 3.41Å; V1304-T1308 PolarHBondContact O-N 3.03Å; V1304-T1308 PolarHBondContact O-OG1 3.14Å |
| 1305 | I | 85 | Confident | 87.7 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | -179.2 | -65.9 | 170.9 | 0 | 0 | 0 | 110.8 | I1300 P1302 T1307 T1308 I1309 L1346 N1350 L1369 | I1300-I1305 HydrophobicContact CG2-CG1 3.96Å; P1302-I1305 HydrophobicContact CB-CD1 4.29Å; P1302-I1305 WeakPolarHBondContact O-CG1 3.42Å; P1302-I1305 PolarHBondContact O-N 3.36Å; I1305-T1307 PolarHBondContact O-N 3.15Å; I1305-T1308 WeakPolarHBondContact O-CB 3.38Å; I1305-T1308 PolarHBondContact O-N 3.3Å; I1305-T1308 VanDerWaalsContact O-N 3.13Å; I1305-I1309 HydrophobicContact CG2-CD1 3.65Å; I1305-I1309 HydrophobicContact CG2-CG1 4.13Å; I1305-I1309 WeakPolarHBondContact O-CG1 3.48Å; I1305-I1309 PolarHBondContact O-N 2.83Å; I1305-L1346 HydrophobicContact CG2-CB 4.29Å; I1305-N1350 WeakPolarHBondContact CD1-ND2 3.26Å; I1305-L1369 HydrophobicContact CB-CD1 4.24Å; I1305-L1369 HydrophobicContact CG2-CD1 3.43Å; I1305-L1369 VanDerWaalsContact CG2-CD1 3.43Å |
| 1306 | M | 87.3 | Confident | 87.7 | Confident | 33 Ų | 33 | 26.8 Ų | 26.8 | 16% | 0.163 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.9 | -43 | -177.2 | -167.8 | 63.2 | -164.9 | 0 | 0 | 112 | V1304 T1308 I1309 N1310 N1373 T1376 V1377 | V1304-M1306 VanDerWaalsContact C-N 3.34Å; V1304-M1306 PolarHBondContact O-N 3.3Å; M1306-T1308 VanDerWaalsContact C-N 3.28Å; M1306-T1308 PolarHBondContact O-N 3.08Å; M1306-I1309 PolarHBondContact O-N 3.23Å; M1306-N1310 WeakPolarHBondContact O-CB 3.29Å; M1306-N1310 PolarHBondContact O-N 3.12Å; M1306-N1310 PolarHBondContact O-ND2 3.2Å; M1306-N1373 HydrophobicContact SD-CB 4.07Å; M1306-T1376 HydrophobicContact CE-CG2 3.8Å; M1306-V1377 HydrophobicContact CE-CG2 3.73Å; M1306-V1377 HydrophobicContact SD-CG2 3.61Å |
| 1307 | T | 88.1 | Confident | 87.5 | Confident | 94 Ų | 94 | 29.8 Ų | 29.8 | 58% | 0.577 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -61 | -40.2 | 174.3 | -45.3 | 0 | 0 | 0 | 0 | 111.3 | V1304 I1305 N1310 H1311 | V1304-T1307 PolarHBondContact O-N 2.96Å; I1305-T1307 PolarHBondContact O-N 3.15Å; T1307-N1310 PolarHBondContact O-N 3.49Å; T1307-H1311 PolarHBondContact O-N 3.12Å |
| 1308 | T | 89.9 | Confident | 87.4 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -45.9 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | Y1274 I1300 V1304 I1305 M1306 N1310 H1311 L1312 L1346 | Y1274-T1308 HydrophobicContact CE2-CG2 3.79Å; I1300-T1308 HydrophobicContact CD1-CG2 4.17Å; I1300-T1308 HydrophobicContact CG1-CG2 4.38Å; V1304-T1308 WeakPolarHBondContact O-CB 3.41Å; V1304-T1308 PolarHBondContact O-N 3.03Å; V1304-T1308 PolarHBondContact O-OG1 3.14Å; I1305-T1308 WeakPolarHBondContact O-CB 3.38Å; I1305-T1308 PolarHBondContact O-N 3.3Å; I1305-T1308 VanDerWaalsContact O-N 3.13Å; M1306-T1308 VanDerWaalsContact C-N 3.28Å; M1306-T1308 PolarHBondContact O-N 3.08Å; T1308-N1310 VanDerWaalsContact C-N 3.35Å; T1308-N1310 PolarHBondContact O-N 3.36Å; T1308-H1311 PolarHBondContact O-N 3.07Å; T1308-L1312 VanDerWaalsContact O-CG 3.32Å; T1308-L1312 WeakPolarHBondContact O-CG 3.47Å; T1308-L1312 PolarHBondContact O-N 3.45Å; T1308-L1346 HydrophobicContact CG2-CD1 3.65Å |
| 1309 | I | 91.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 177.5 | -70 | 173.6 | 0 | 0 | 0 | 110.8 | I1305 M1306 H1311 L1312 F1313 L1346 I1347 L1369 V1377 | I1305-I1309 HydrophobicContact CG2-CD1 3.65Å; I1305-I1309 HydrophobicContact CG2-CG1 4.13Å; I1305-I1309 WeakPolarHBondContact O-CG1 3.48Å; I1305-I1309 PolarHBondContact O-N 2.83Å; M1306-I1309 PolarHBondContact O-N 3.23Å; I1309-H1311 PolarHBondContact O-N 3.46Å; I1309-L1312 WeakPolarHBondContact O-CB 3.43Å; I1309-L1312 PolarHBondContact O-N 3.04Å; I1309-L1312 VanDerWaalsContact O-N 3.15Å; I1309-F1313 HydrophobicContact CG2-CD2 3.91Å; I1309-F1313 HydrophobicContact CG2-CE2 3.45Å; I1309-F1313 VanDerWaalsContact CG2-CE2 3.45Å; I1309-F1313 HydrophobicContact CG2-CZ 3.8Å; I1309-F1313 WeakPolarHBondContact O-CD2 3.28Å; I1309-F1313 PolarHBondContact O-N 3.03Å; I1309-L1346 HydrophobicContact CG1-CD1 4.26Å; I1309-I1347 HydrophobicContact CD1-CG1 4.05Å; I1309-L1369 HydrophobicContact CD1-CD1 4.25Å; I1309-V1377 HydrophobicContact CD1-CG2 4.2Å; I1309-V1377 HydrophobicContact CG2-CG1 4.04Å; I1309-V1377 HydrophobicContact CG2-CG2 3.86Å |
| 1310 | N | 92.9 | Very high | 86.6 | Confident | 47 Ų | 47 | 36.8 Ų | 36.8 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 175.7 | -77.4 | -30.8 | 0 | 0 | 0 | 111.7 | M1306 T1307 T1308 L1312 F1313 D1314 R1380 | M1306-N1310 WeakPolarHBondContact O-CB 3.29Å; M1306-N1310 PolarHBondContact O-N 3.12Å; M1306-N1310 PolarHBondContact O-ND2 3.2Å; T1307-N1310 PolarHBondContact O-N 3.49Å; T1308-N1310 VanDerWaalsContact C-N 3.35Å; T1308-N1310 PolarHBondContact O-N 3.36Å; N1310-L1312 VanDerWaalsContact C-N 3.31Å; N1310-L1312 PolarHBondContact O-N 2.76Å; N1310-F1313 WeakPolarHBondContact O-CB 3.42Å; N1310-F1313 PolarHBondContact O-N 2.88Å; N1310-F1313 VanDerWaalsContact O-N 3.09Å; N1310-D1314 PolarHBondContact O-N 3.5Å; N1310-R1380 PolarHBondContact OD1-NH1 3.19Å |
| 1311 | H | 93.9 | Very high | 85.6 | Confident | 76 Ų | 76 | 43.5 Ų | 43.5 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.1 | -37 | 174.6 | 176.9 | -129.8 | 0 | 0 | 0 | 112.6 | Y1274 T1307 T1308 I1309 F1313 D1314 L1315 | Y1274-H1311 AromaticContact CE1-CE1 3.85Å; Y1274-H1311 AromaticContact CE1-ND1 3.64Å; Y1274-H1311 AromaticContact CZ-ND1 3.67Å; Y1274-H1311 PolarHBondContact OH-ND1 3.48Å; T1307-H1311 PolarHBondContact O-N 3.12Å; T1308-H1311 PolarHBondContact O-N 3.07Å; I1309-H1311 PolarHBondContact O-N 3.46Å; H1311-F1313 VanDerWaalsContact C-N 3.33Å; H1311-D1314 PolarHBondContact O-N 3.3Å; H1311-L1315 WeakPolarHBondContact O-CG 3.43Å; H1311-L1315 PolarHBondContact O-N 3.19Å |
| 1312 | L | 94.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 173.3 | -65.5 | 176 | 0 | 0 | 0 | 112 | I1278 T1308 I1309 N1310 L1315 M1316 L1339 Q1342 I1343 L1346 | I1278-L1312 HydrophobicContact CD1-CD2 3.66Å; T1308-L1312 VanDerWaalsContact O-CG 3.32Å; T1308-L1312 WeakPolarHBondContact O-CG 3.47Å; T1308-L1312 PolarHBondContact O-N 3.45Å; I1309-L1312 WeakPolarHBondContact O-CB 3.43Å; I1309-L1312 PolarHBondContact O-N 3.04Å; I1309-L1312 VanDerWaalsContact O-N 3.15Å; N1310-L1312 VanDerWaalsContact C-N 3.31Å; N1310-L1312 PolarHBondContact O-N 2.76Å; L1312-L1315 HydrophobicContact CD2-CD1 4.46Å; L1312-L1315 PolarHBondContact O-N 3.4Å; L1312-M1316 VanDerWaalsContact O-CG 3.31Å; L1312-M1316 WeakPolarHBondContact O-CG 3.25Å; L1312-M1316 PolarHBondContact O-N 3.36Å; L1312-L1339 HydrophobicContact CD2-CD2 3.75Å; L1312-Q1342 HydrophobicContact CD1-CB 3.97Å; L1312-I1343 HydrophobicContact CB-CD1 4.16Å; L1312-I1343 HydrophobicContact CB-CG1 3.95Å; L1312-I1343 HydrophobicContact CD1-CG1 3.7Å; L1312-I1343 HydrophobicContact CG-CG1 4.48Å; L1312-L1346 HydrophobicContact CD1-CD1 3.83Å |
| 1313 | F | 94.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 172.2 | -70.5 | -37.7 | 0 | 0 | 0 | 112.1 | I1309 N1310 H1311 L1315 M1316 E1317 I1343 V1377 R1380 L1381 F1385 | I1309-F1313 HydrophobicContact CG2-CD2 3.91Å; I1309-F1313 HydrophobicContact CG2-CE2 3.45Å; I1309-F1313 VanDerWaalsContact CG2-CE2 3.45Å; I1309-F1313 HydrophobicContact CG2-CZ 3.8Å; I1309-F1313 WeakPolarHBondContact O-CD2 3.28Å; I1309-F1313 PolarHBondContact O-N 3.03Å; N1310-F1313 WeakPolarHBondContact O-CB 3.42Å; N1310-F1313 PolarHBondContact O-N 2.88Å; N1310-F1313 VanDerWaalsContact O-N 3.09Å; H1311-F1313 VanDerWaalsContact C-N 3.33Å; F1313-L1315 VanDerWaalsContact C-N 3.26Å; F1313-L1315 PolarHBondContact O-N 3.3Å; F1313-M1316 HydrophobicContact CD1-SD 4.17Å; F1313-M1316 CarbonylContact O-C 3.35Å; F1313-M1316 WeakPolarHBondContact O-CA 3.28Å; F1313-M1316 WeakPolarHBondContact O-CB 3.37Å; F1313-M1316 PolarHBondContact O-N 2.93Å; F1313-E1317 PolarHBondContact O-N 3.19Å; F1313-I1343 HydrophobicContact CD1-CD1 3.93Å; F1313-I1343 HydrophobicContact CE1-CD1 3.7Å; F1313-V1377 HydrophobicContact CE2-CG1 4.14Å; F1313-V1377 HydrophobicContact CZ-CG1 3.79Å; F1313-R1380 HydrophobicContact CD2-CG 4.1Å; F1313-R1380 HydrophobicContact CE2-CB 4.17Å; F1313-R1380 HydrophobicContact CE2-CG 4.22Å; F1313-L1381 HydrophobicContact CE1-CD1 4.42Å; F1313-L1381 HydrophobicContact CE1-CD2 3.59Å; F1313-L1381 HydrophobicContact CE1-CG 3.7Å; F1313-L1381 HydrophobicContact CZ-CD1 4.22Å; F1313-L1381 HydrophobicContact CZ-CD2 4.14Å; F1313-L1381 HydrophobicContact CZ-CG 3.69Å; F1313-F1385 HydrophobicContact CB-CE2 3.89Å; F1313-F1385 HydrophobicContact CB-CZ 3.82Å; F1313-F1385 HydrophobicContact CD1-CD2 4.15Å; F1313-F1385 AromaticContact CD1-CE2 3.45Å; F1313-F1385 HydrophobicContact CD1-CE2 3.45Å; F1313-F1385 VanDerWaalsContact CD1-CE2 3.45Å; F1313-F1385 AromaticContact CD1-CZ 3.88Å; F1313-F1385 HydrophobicContact CD1-CZ 3.88Å; F1313-F1385 HydrophobicContact CE1-CD2 4.4Å; F1313-F1385 HydrophobicContact CE1-CE2 4.1Å; F1313-F1385 AromaticContact CG-CE2 3.78Å; F1313-F1385 HydrophobicContact CG-CE2 3.78Å; F1313-F1385 HydrophobicContact CG-CZ 4.16Å; F1313-F1385 WeakPolarHBondContact O-CZ 3.47Å |
| 1314 | D | 93.3 | Very high | 82 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 177.6 | -53.9 | -21 | 0 | 0 | 0 | 110.7 | N1310 H1311 E1317 L1318 R1380 | N1310-D1314 PolarHBondContact O-N 3.5Å; H1311-D1314 PolarHBondContact O-N 3.3Å; D1314-E1317 PolarHBondContact O-N 3.29Å; D1314-L1318 WeakPolarHBondContact O-CG 3.35Å; D1314-L1318 PolarHBondContact O-N 2.77Å; D1314-R1380 IonicContact OD1-CZ 3.66Å; D1314-R1380 IonicContact OD1-NH1 2.54Å; D1314-R1380 IonicContact OD1-NH2 3.02Å; D1314-R1380 PolarHBondContact OD1-NH2 3.07Å |
| 1315 | L | 91.5 | Very high | 80.4 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 19% | 0.188 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 171.6 | -71.3 | 174.7 | 0 | 0 | 0 | 112.8 | I1278 H1311 L1312 F1313 L1318 V1319 L1339 | I1278-L1315 HydrophobicContact CG2-CD1 3.89Å; H1311-L1315 WeakPolarHBondContact O-CG 3.43Å; H1311-L1315 PolarHBondContact O-N 3.19Å; L1312-L1315 HydrophobicContact CD2-CD1 4.46Å; L1312-L1315 PolarHBondContact O-N 3.4Å; F1313-L1315 VanDerWaalsContact C-N 3.26Å; F1313-L1315 PolarHBondContact O-N 3.3Å; L1315-L1318 HydrophobicContact CD2-CD1 4.34Å; L1315-L1318 PolarHBondContact O-N 3.16Å; L1315-V1319 VanDerWaalsContact O-CG2 3.23Å; L1315-V1319 WeakPolarHBondContact O-CG2 3.21Å; L1315-V1319 PolarHBondContact O-N 2.8Å; L1315-L1339 HydrophobicContact CB-CD1 4.19Å; L1315-L1339 HydrophobicContact CB-CD2 4.15Å; L1315-L1339 HydrophobicContact CD1-CD2 4.16Å |
| 1316 | M | 90.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 175 | -71.1 | 173.1 | 60 | 0 | 0 | 111.8 | L1312 F1313 V1319 H1320 L1336 L1339 L1340 I1343 F1385 L1388 | L1312-M1316 VanDerWaalsContact O-CG 3.31Å; L1312-M1316 WeakPolarHBondContact O-CG 3.25Å; L1312-M1316 PolarHBondContact O-N 3.36Å; F1313-M1316 HydrophobicContact CD1-SD 4.17Å; F1313-M1316 CarbonylContact O-C 3.35Å; F1313-M1316 WeakPolarHBondContact O-CA 3.28Å; F1313-M1316 WeakPolarHBondContact O-CB 3.37Å; F1313-M1316 PolarHBondContact O-N 2.93Å; M1316-V1319 PolarHBondContact O-N 3.39Å; M1316-H1320 WeakPolarHBondContact O-CB 3.41Å; M1316-H1320 PolarHBondContact O-N 2.91Å; M1316-L1336 HydrophobicContact CB-CD1 4.47Å; M1316-L1336 HydrophobicContact CE-CD1 3.88Å; M1316-L1336 HydrophobicContact CG-CD1 4.1Å; M1316-L1339 HydrophobicContact CB-CD1 4.44Å; M1316-L1339 HydrophobicContact CG-CB 3.82Å; M1316-L1339 HydrophobicContact CG-CD1 3.57Å; M1316-L1339 HydrophobicContact CG-CG 4.26Å; M1316-L1339 HydrophobicContact SD-CB 4.21Å; M1316-L1340 HydrophobicContact CE-CD2 3.77Å; M1316-L1340 HydrophobicContact CE-CG 4.25Å; M1316-L1340 HydrophobicContact SD-CD2 4.32Å; M1316-I1343 HydrophobicContact SD-CD1 3.5Å; M1316-I1343 VanDerWaalsContact SD-CD1 3.5Å; M1316-F1385 HydrophobicContact CB-CD1 4.3Å; M1316-F1385 HydrophobicContact CB-CE1 3.51Å; M1316-F1385 HydrophobicContact CB-CZ 4.03Å; M1316-F1385 HydrophobicContact CE-CD1 3.82Å; M1316-F1385 HydrophobicContact CE-CE1 4.05Å; M1316-F1385 HydrophobicContact CE-CG 4.25Å; M1316-L1388 HydrophobicContact CE-CD1 3.59Å |
| 1317 | E | 87.5 | Confident | 76.6 | Confident | 62 Ų | 62 | 73 Ų | 73 | 29% | 0.29 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 173.7 | -74.6 | 167.2 | -157.5 | 0 | 0 | 111 | F1313 D1314 V1319 H1320 E1321 R1380 F1385 | F1313-E1317 PolarHBondContact O-N 3.19Å; D1314-E1317 PolarHBondContact O-N 3.29Å; E1317-V1319 VanDerWaalsContact C-N 3.32Å; E1317-V1319 PolarHBondContact O-N 2.87Å; E1317-H1320 CarbonylContact O-C 3.53Å; E1317-H1320 WeakPolarHBondContact O-CA 3.41Å; E1317-H1320 VanDerWaalsContact O-CB 3.32Å; E1317-H1320 WeakPolarHBondContact O-CB 3.48Å; E1317-H1320 PolarHBondContact O-N 3.02Å; E1317-E1321 PolarHBondContact O-N 3.19Å; E1317-R1380 IonicContact OE1-CZ 3.79Å; E1317-R1380 IonicContact OE1-NE 3.62Å; E1317-R1380 IonicContact OE1-NH2 2.78Å; E1317-R1380 PolarHBondContact OE1-NH2 3.38Å; E1317-R1380 IonicContact OE2-NH2 3.95Å; E1317-F1385 HydrophobicContact CG-CE1 3.84Å; E1317-F1385 HydrophobicContact CG-CZ 3.69Å |
| 1318 | L | 84 | Confident | 74.8 | Confident | 105 Ų | 105 | 70.9 Ų | 70.9 | 55% | 0.55 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.8 | -76.2 | 167.7 | 0 | 0 | 0 | 112.7 | D1314 L1315 H1320 S1322 | D1314-L1318 WeakPolarHBondContact O-CG 3.35Å; D1314-L1318 PolarHBondContact O-N 2.77Å; L1315-L1318 HydrophobicContact CD2-CD1 4.34Å; L1315-L1318 PolarHBondContact O-N 3.16Å; L1318-H1320 PolarHBondContact O-N 3.4Å; L1318-S1322 PolarHBondContact O-N 2.99Å; L1318-S1322 PolarHBondContact O-OG 3.1Å |
| 1319 | V | 81.2 | Confident | 73.2 | Confident | 24 Ų | 24 | 73.4 Ų | 73.4 | 15% | 0.145 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 109 | L1315 M1316 E1317 S1322 I1323 I1335 L1339 | L1315-V1319 VanDerWaalsContact O-CG2 3.23Å; L1315-V1319 WeakPolarHBondContact O-CG2 3.21Å; L1315-V1319 PolarHBondContact O-N 2.8Å; M1316-V1319 PolarHBondContact O-N 3.39Å; E1317-V1319 VanDerWaalsContact C-N 3.32Å; E1317-V1319 PolarHBondContact O-N 2.87Å; V1319-S1322 PolarHBondContact O-OG 3.2Å; V1319-I1323 HydrophobicContact CG1-CD1 4.44Å; V1319-I1323 WeakPolarHBondContact O-CD1 3.38Å; V1319-I1323 WeakPolarHBondContact O-CG1 3.35Å; V1319-I1335 HydrophobicContact CG2-CG2 3.72Å; V1319-L1339 HydrophobicContact CG2-CD1 4.42Å |
| 1320 | H | 74.8 | Confident | 71.5 | Confident | 61 Ų | 61 | 79.5 Ų | 79.5 | 28% | 0.282 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.6 | -45.4 | 178.4 | -173.5 | 85 | 0 | 0 | 0 | 114.9 | M1316 E1317 L1318 S1322 I1323 W1387 | M1316-H1320 WeakPolarHBondContact O-CB 3.41Å; M1316-H1320 PolarHBondContact O-N 2.91Å; E1317-H1320 CarbonylContact O-C 3.53Å; E1317-H1320 WeakPolarHBondContact O-CA 3.41Å; E1317-H1320 VanDerWaalsContact O-CB 3.32Å; E1317-H1320 WeakPolarHBondContact O-CB 3.48Å; E1317-H1320 PolarHBondContact O-N 3.02Å; L1318-H1320 PolarHBondContact O-N 3.4Å; H1320-S1322 VanDerWaalsContact C-N 3.27Å; H1320-S1322 PolarHBondContact O-N 3.49Å; H1320-I1323 WeakPolarHBondContact O-CB 2.82Å; H1320-I1323 VanDerWaalsContact O-CG1 3.23Å; H1320-I1323 WeakPolarHBondContact O-CG1 3.27Å; H1320-I1323 PolarHBondContact O-N 2.95Å; H1320-W1387 HydrophobicContact CB-CH2 4.11Å; H1320-W1387 HydrophobicContact CB-CZ2 3.77Å; H1320-W1387 AromaticContact CE1-CD2 3.74Å; H1320-W1387 AromaticContact CE1-CE2 3.79Å; H1320-W1387 AromaticContact CG-CE2 3.94Å; H1320-W1387 AromaticContact CG-CZ2 3.72Å; H1320-W1387 AromaticContact ND1-CD2 3.6Å; H1320-W1387 AromaticContact ND1-CE2 3.36Å; H1320-W1387 AromaticContact ND1-CE3 3.77Å; H1320-W1387 AromaticContact ND1-CH2 3.54Å; H1320-W1387 AromaticContact ND1-CZ2 3.35Å; H1320-W1387 VanDerWaalsContact ND1-CZ2 3.35Å; H1320-W1387 WeakPolarHBondContact ND1-CZ2 3.22Å; H1320-W1387 AromaticContact ND1-CZ3 3.74Å; H1320-W1387 AromaticContact ND1-NE1 3.94Å |
| 1321 | E | 64.4 | Low | 70 | Confident | 141 Ų | 141 | 80.9 Ų | 80.9 | 66% | 0.659 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.6 | -31.7 | -177 | -73.7 | -172.9 | 162.6 | 0 | 0 | 112.6 | E1317 I1323 | E1317-E1321 PolarHBondContact O-N 3.19Å; E1321-I1323 PolarHBondContact O-N 3.02Å |
| 1322 | S | 59 | Low | 69.1 | Low | 66 Ų | 66 | 80.4 Ų | 80.4 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 5.8 | 173.9 | 76 | 0 | 0 | 0 | 0 | 114.7 | L1318 V1319 H1320 R1332 | L1318-S1322 PolarHBondContact O-N 2.99Å; L1318-S1322 PolarHBondContact O-OG 3.1Å; V1319-S1322 PolarHBondContact O-OG 3.2Å; H1320-S1322 VanDerWaalsContact C-N 3.27Å; H1320-S1322 PolarHBondContact O-N 3.49Å; S1322-R1332 PolarHBondContact O-NH1 3.22Å; S1322-R1332 PolarHBondContact O-NH2 3.15Å |
| 1323 | I | 50.8 | Low | 68.5 | Low | 20 Ų | 20 | 81.3 Ų | 81.3 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 5.1 | -167.1 | -49.1 | -176.4 | 0 | 0 | 0 | 114.3 | V1319 H1320 E1321 V1325 W1328 | V1319-I1323 HydrophobicContact CG1-CD1 4.44Å; V1319-I1323 WeakPolarHBondContact O-CD1 3.38Å; V1319-I1323 WeakPolarHBondContact O-CG1 3.35Å; H1320-I1323 WeakPolarHBondContact O-CB 2.82Å; H1320-I1323 VanDerWaalsContact O-CG1 3.23Å; H1320-I1323 WeakPolarHBondContact O-CG1 3.27Å; H1320-I1323 PolarHBondContact O-N 2.95Å; E1321-I1323 PolarHBondContact O-N 3.02Å; I1323-V1325 CarbonylContact O-C 3.51Å; I1323-V1325 PolarHBondContact O-N 3.03Å; I1323-W1328 HydrophobicContact CD1-CD2 4.21Å; I1323-W1328 HydrophobicContact CD1-CE3 4.32Å; I1323-W1328 HydrophobicContact CD1-CH2 3.5Å; I1323-W1328 VanDerWaalsContact CD1-CH2 3.5Å; I1323-W1328 HydrophobicContact CD1-CZ2 3.35Å; I1323-W1328 HydrophobicContact CD1-CZ3 4Å; I1323-W1328 HydrophobicContact CG2-CZ2 4.37Å |
| 1324 | L | 46.5 | Very low | 68.1 | Low | 171 Ų | 171 | 82.8 Ų | 82.8 | 90% | 0.895 | 41% | 0.41 | S | S | * | . | trans | -59 | 4.3 | 173 | -80.8 | 166.4 | 0 | 0 | 0 | 114.9 | ||||
| 1325 | V | 46 | Very low | 68 | Low | 120 Ų | 120 | 81.3 Ų | 81.3 | 73% | 0.727 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -103.8 | 113 | 168.5 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | I1323 R1327 | I1323-V1325 CarbonylContact O-C 3.51Å; I1323-V1325 PolarHBondContact O-N 3.03Å; V1325-R1327 VanDerWaalsContact C-N 3.32Å; V1325-R1327 PolarHBondContact O-N 3.28Å |
| 1326 | K | 46.6 | Very low | 67.9 | Low | 214 Ų | 214 | 79.6 Ų | 79.6 | 93% | 0.93 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -54.2 | 34.4 | -164.9 | -74.5 | -178.1 | 176.4 | 178.4 | 0 | 120.8 | ||
| 1327 | R | 46.9 | Very low | 67.9 | Low | 224 Ų | 224 | 80 Ų | 80 | 85% | 0.845 | 39% | 0.394 | S | S | * | . | trans | -151.3 | 112.8 | 171.3 | -138.8 | 161.9 | 173.7 | 156.3 | -3.9 | 112.4 | V1325 C1329 | V1325-R1327 VanDerWaalsContact C-N 3.32Å; V1325-R1327 PolarHBondContact O-N 3.28Å; R1327-C1329 PolarHBondContact O-N 3.49Å | ||
| 1328 | W | 50.3 | Low | 68.1 | Low | 51 Ų | 51 | 77 Ų | 77 | 19% | 0.193 | 38% | 0.38 | C | S | . | . | trans | -68.6 | 116.7 | 171.9 | -78.4 | 70.4 | 0 | 0 | 0 | 109.5 | I1323 R1332 L1333 L1336 W1387 Y1393 I1394 | I1323-W1328 HydrophobicContact CD1-CD2 4.21Å; I1323-W1328 HydrophobicContact CD1-CE3 4.32Å; I1323-W1328 HydrophobicContact CD1-CH2 3.5Å; I1323-W1328 VanDerWaalsContact CD1-CH2 3.5Å; I1323-W1328 HydrophobicContact CD1-CZ2 3.35Å; I1323-W1328 HydrophobicContact CD1-CZ3 4Å; I1323-W1328 HydrophobicContact CG2-CZ2 4.37Å; W1328-R1332 HydrophobicContact CE3-CB 4.08Å; W1328-R1332 HydrophobicContact CZ3-CB 4.33Å; W1328-L1333 HydrophobicContact CD2-CD2 4.25Å; W1328-L1333 HydrophobicContact CE3-CD2 3.44Å; W1328-L1333 VanDerWaalsContact CE3-CD2 3.44Å; W1328-L1333 HydrophobicContact CE3-CG 3.98Å; W1328-L1333 HydrophobicContact CZ3-CD2 3.87Å; W1328-L1336 HydrophobicContact CH2-CD2 3.86Å; W1328-L1336 HydrophobicContact CZ3-CD2 3.87Å; W1328-W1387 AromaticContact CH2-CH2 3.99Å; W1328-W1387 HydrophobicContact CH2-CH2 3.99Å; W1328-W1387 AromaticContact CH2-CZ3 3.58Å; W1328-W1387 HydrophobicContact CH2-CZ3 3.58Å; W1328-W1387 HydrophobicContact CZ2-CE3 4.42Å; W1328-W1387 HydrophobicContact CZ2-CH2 4.36Å; W1328-W1387 AromaticContact CZ2-CZ3 3.68Å; W1328-W1387 HydrophobicContact CZ2-CZ3 3.68Å; W1328-Y1393 PolarHBondContact NE1-O 3.44Å; W1328-I1394 HydrophobicContact CD2-CD1 4.36Å; W1328-I1394 HydrophobicContact CE3-CD1 4.14Å; W1328-I1394 HydrophobicContact CH2-CD1 3.6Å; W1328-I1394 HydrophobicContact CZ2-CD1 3.81Å; W1328-I1394 HydrophobicContact CZ3-CD1 3.76Å | ||
| 1329 | C | 55.3 | Low | 68.7 | Low | 57 Ų | 57 | 72 Ų | 72 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | trans | -80.6 | 150 | 168.6 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | R1327 I1331 R1332 | R1327-C1329 PolarHBondContact O-N 3.49Å; C1329-I1331 PolarHBondContact O-N 2.91Å; C1329-I1331 VanDerWaalsContact O-N 3.08Å; C1329-R1332 PolarHBondContact O-N 3.44Å | ||
| 1330 | N | 57.8 | Low | 69.3 | Low | 128 Ų | 128 | 70.9 Ų | 70.9 | 68% | 0.684 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -52.1 | -33.7 | -179.3 | -74.9 | -16.9 | 0 | 0 | 0 | 113.5 | R1332 L1333 N1334 | N1330-R1332 VanDerWaalsContact C-N 3.31Å; N1330-R1332 PolarHBondContact O-N 3.06Å; N1330-L1333 PolarHBondContact O-N 2.92Å; N1330-N1334 PolarHBondContact O-N 3.46Å |
| 1331 | I | 60.6 | Low | 70.1 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 179.2 | -60.6 | 168.4 | 0 | 0 | 0 | 111.1 | C1329 N1334 I1335 | C1329-I1331 PolarHBondContact O-N 2.91Å; C1329-I1331 VanDerWaalsContact O-N 3.08Å; I1331-N1334 PolarHBondContact O-N 3.14Å; I1331-I1335 HydrophobicContact CG2-CD1 4.34Å; I1331-I1335 WeakPolarHBondContact O-CG1 3.48Å; I1331-I1335 PolarHBondContact O-N 3.04Å |
| 1332 | R | 74.7 | Confident | 71.5 | Confident | 67 Ų | 67 | 62 Ų | 62 | 25% | 0.253 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71.2 | -33.9 | -178.1 | -70.3 | 175.8 | -179.9 | -172.4 | -7.9 | 112.7 | S1322 W1328 C1329 N1330 I1335 L1336 | S1322-R1332 PolarHBondContact O-NH1 3.22Å; S1322-R1332 PolarHBondContact O-NH2 3.15Å; W1328-R1332 HydrophobicContact CE3-CB 4.08Å; W1328-R1332 HydrophobicContact CZ3-CB 4.33Å; C1329-R1332 PolarHBondContact O-N 3.44Å; N1330-R1332 VanDerWaalsContact C-N 3.31Å; N1330-R1332 PolarHBondContact O-N 3.06Å; R1332-I1335 PolarHBondContact O-N 2.97Å; R1332-L1336 WeakPolarHBondContact O-CB 3.47Å; R1332-L1336 PolarHBondContact O-N 3.37Å |
| 1333 | L | 83.5 | Confident | 73.1 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.094 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.1 | -37.7 | 175.5 | -65.2 | 172.1 | 0 | 0 | 0 | 111.3 | W1328 N1330 L1336 H1337 I1394 C1396 I1399 | W1328-L1333 HydrophobicContact CD2-CD2 4.25Å; W1328-L1333 HydrophobicContact CE3-CD2 3.44Å; W1328-L1333 VanDerWaalsContact CE3-CD2 3.44Å; W1328-L1333 HydrophobicContact CE3-CG 3.98Å; W1328-L1333 HydrophobicContact CZ3-CD2 3.87Å; N1330-L1333 PolarHBondContact O-N 2.92Å; L1333-L1336 PolarHBondContact O-N 3.46Å; L1333-H1337 VanDerWaalsContact O-CB 3.28Å; L1333-H1337 WeakPolarHBondContact O-CB 3.42Å; L1333-H1337 PolarHBondContact O-N 2.86Å; L1333-I1394 HydrophobicContact CD2-CD1 3.89Å; L1333-C1396 HydrophobicContact CD1-CB 4.29Å; L1333-C1396 HydrophobicContact CD2-CB 4.42Å; L1333-I1399 HydrophobicContact CB-CD1 3.98Å; L1333-I1399 HydrophobicContact CD2-CD1 3.86Å; L1333-I1399 WeakPolarHBondContact O-CD1 3.39Å |
| 1334 | N | 86.3 | Confident | 74.7 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 17% | 0.171 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 175.6 | -72.6 | -24.5 | 0 | 0 | 0 | 112 | D1284 R1289 N1330 I1331 H1337 G1338 | D1284-N1334 PolarHBondContact OD1-ND2 2.85Å; R1289-N1334 VanDerWaalsContact CD-O 3.26Å; R1289-N1334 WeakPolarHBondContact CD-O 3.05Å; R1289-N1334 VanDerWaalsContact NH1-CG 3.35Å; R1289-N1334 PolarHBondContact NH1-OD1 2.86Å; R1289-N1334 PolarHBondContact NH2-OD1 2.99Å; N1330-N1334 PolarHBondContact O-N 3.46Å; I1331-N1334 PolarHBondContact O-N 3.14Å; N1334-H1337 PolarHBondContact O-N 3.42Å; N1334-G1338 PolarHBondContact O-N 3.39Å |
| 1335 | I | 89.7 | Confident | 76.5 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.3 | -52.5 | 174.5 | -66.5 | 167.5 | 0 | 0 | 0 | 110.4 | F1282 V1319 I1331 R1332 H1337 G1338 L1339 | F1282-I1335 HydrophobicContact CB-CG1 3.9Å; F1282-I1335 HydrophobicContact CD1-CB 4.27Å; F1282-I1335 HydrophobicContact CD1-CG1 4.31Å; F1282-I1335 HydrophobicContact CD1-CG2 3.75Å; F1282-I1335 HydrophobicContact CE1-CG2 3.9Å; F1282-I1335 HydrophobicContact CG-CG1 4.06Å; F1282-I1335 HydrophobicContact CG-CG2 4.2Å; F1282-I1335 HydrophobicContact CZ-CG2 4.42Å; V1319-I1335 HydrophobicContact CG2-CG2 3.72Å; I1331-I1335 HydrophobicContact CG2-CD1 4.34Å; I1331-I1335 WeakPolarHBondContact O-CG1 3.48Å; I1331-I1335 PolarHBondContact O-N 3.04Å; R1332-I1335 PolarHBondContact O-N 2.97Å; I1335-H1337 VanDerWaalsContact C-N 3.34Å; I1335-H1337 PolarHBondContact O-N 3.24Å; I1335-G1338 WeakPolarHBondContact O-CA 3.37Å; I1335-G1338 PolarHBondContact O-N 3.33Å; I1335-G1338 VanDerWaalsContact O-N 3.08Å; I1335-L1339 HydrophobicContact CG2-CD1 4Å; I1335-L1339 HydrophobicContact CG2-CG 4.5Å; I1335-L1339 WeakPolarHBondContact O-CG 3.47Å; I1335-L1339 PolarHBondContact O-N 2.91Å |
| 1336 | L | 89.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | -177.8 | -174 | 63.2 | 0 | 0 | 0 | 112.1 | M1316 W1328 R1332 L1333 G1338 L1339 L1340 W1387 L1388 I1394 I1399 | M1316-L1336 HydrophobicContact CB-CD1 4.47Å; M1316-L1336 HydrophobicContact CE-CD1 3.88Å; M1316-L1336 HydrophobicContact CG-CD1 4.1Å; W1328-L1336 HydrophobicContact CH2-CD2 3.86Å; W1328-L1336 HydrophobicContact CZ3-CD2 3.87Å; R1332-L1336 WeakPolarHBondContact O-CB 3.47Å; R1332-L1336 PolarHBondContact O-N 3.37Å; L1333-L1336 PolarHBondContact O-N 3.46Å; L1336-G1338 VanDerWaalsContact C-N 3.32Å; L1336-G1338 PolarHBondContact O-N 3.46Å; L1336-L1339 PolarHBondContact O-N 3.45Å; L1336-L1340 WeakPolarHBondContact O-CG 3.3Å; L1336-L1340 PolarHBondContact O-N 3.16Å; L1336-W1387 HydrophobicContact CD1-CH2 4.29Å; L1336-W1387 HydrophobicContact CD2-CH2 4.18Å; L1336-W1387 HydrophobicContact CD2-CZ3 4.14Å; L1336-L1388 HydrophobicContact CD1-CD2 3.85Å; L1336-L1388 HydrophobicContact CD2-CD2 3.22Å; L1336-L1388 HydrophobicContact CG-CD2 3.84Å; L1336-I1394 HydrophobicContact CD2-CD1 3.74Å; L1336-I1399 HydrophobicContact CB-CD1 4.45Å; L1336-I1399 HydrophobicContact CD2-CD1 4.3Å; L1336-I1399 HydrophobicContact CD2-CG2 4.16Å |
| 1337 | H | 90.9 | Very high | 79.9 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 174.2 | -179.8 | -121 | 0 | 0 | 0 | 112.1 | R1289 L1333 N1334 I1335 L1341 I1398 I1399 | R1289-H1337 PolarHBondContact NE-ND1 3.26Å; R1289-H1337 VanDerWaalsContact NE-ND1 3.13Å; R1289-H1337 PolarHBondContact NH2-ND1 3.13Å; L1333-H1337 VanDerWaalsContact O-CB 3.28Å; L1333-H1337 WeakPolarHBondContact O-CB 3.42Å; L1333-H1337 PolarHBondContact O-N 2.86Å; N1334-H1337 PolarHBondContact O-N 3.42Å; I1335-H1337 VanDerWaalsContact C-N 3.34Å; I1335-H1337 PolarHBondContact O-N 3.24Å; H1337-L1341 VanDerWaalsContact CE1-CD1 3.46Å; H1337-L1341 WeakPolarHBondContact CE1-CD1 3.49Å; H1337-L1341 WeakPolarHBondContact O-CB 3.43Å; H1337-L1341 VanDerWaalsContact O-CG 3.31Å; H1337-L1341 WeakPolarHBondContact O-CG 3.47Å; H1337-L1341 PolarHBondContact O-N 3.49Å; H1337-I1398 WeakPolarHBondContact NE2-CG2 3.5Å; H1337-I1399 HydrophobicContact CB-CD1 4.13Å; H1337-I1399 HydrophobicContact CB-CG1 3.79Å |
| 1338 | G | 92.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1281 N1334 I1335 L1336 L1341 Q1342 | G1281-G1338 VanDerWaalsContact O-CA 3.25Å; G1281-G1338 WeakPolarHBondContact O-CA 3.4Å; N1334-G1338 PolarHBondContact O-N 3.39Å; I1335-G1338 WeakPolarHBondContact O-CA 3.37Å; I1335-G1338 PolarHBondContact O-N 3.33Å; I1335-G1338 VanDerWaalsContact O-N 3.08Å; L1336-G1338 VanDerWaalsContact C-N 3.32Å; L1336-G1338 PolarHBondContact O-N 3.46Å; G1338-L1341 WeakPolarHBondContact O-CB 3.36Å; G1338-L1341 PolarHBondContact O-N 3.21Å; G1338-Q1342 WeakPolarHBondContact O-CG 3.21Å; G1338-Q1342 PolarHBondContact O-N 3.38Å |
| 1339 | L | 95.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 176.1 | -70.3 | 169.5 | 0 | 0 | 0 | 111.1 | F1282 L1312 L1315 M1316 V1319 I1335 L1336 L1341 Q1342 I1343 | F1282-L1339 HydrophobicContact CE1-CD1 4.37Å; F1282-L1339 HydrophobicContact CE1-CD2 3.65Å; F1282-L1339 HydrophobicContact CE1-CG 3.83Å; F1282-L1339 HydrophobicContact CZ-CD2 4.15Å; L1312-L1339 HydrophobicContact CD2-CD2 3.75Å; L1315-L1339 HydrophobicContact CB-CD1 4.19Å; L1315-L1339 HydrophobicContact CB-CD2 4.15Å; L1315-L1339 HydrophobicContact CD1-CD2 4.16Å; M1316-L1339 HydrophobicContact CB-CD1 4.44Å; M1316-L1339 HydrophobicContact CG-CB 3.82Å; M1316-L1339 HydrophobicContact CG-CD1 3.57Å; M1316-L1339 HydrophobicContact CG-CG 4.26Å; M1316-L1339 HydrophobicContact SD-CB 4.21Å; V1319-L1339 HydrophobicContact CG2-CD1 4.42Å; I1335-L1339 HydrophobicContact CG2-CD1 4Å; I1335-L1339 HydrophobicContact CG2-CG 4.5Å; I1335-L1339 WeakPolarHBondContact O-CG 3.47Å; I1335-L1339 PolarHBondContact O-N 2.91Å; L1336-L1339 PolarHBondContact O-N 3.45Å; L1339-L1341 VanDerWaalsContact C-N 3.32Å; L1339-L1341 PolarHBondContact O-N 2.97Å; L1339-Q1342 WeakPolarHBondContact O-CB 3.43Å; L1339-Q1342 PolarHBondContact O-N 3.07Å; L1339-I1343 WeakPolarHBondContact O-CG1 3.24Å; L1339-I1343 PolarHBondContact O-N 3.43Å |
| 1340 | L | 93.3 | Very high | 81 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 175.3 | -72.9 | 172.6 | 0 | 0 | 0 | 112.2 | M1316 L1336 Q1342 I1343 Y1344 L1388 I1399 L1402 I1406 | M1316-L1340 HydrophobicContact CE-CD2 3.77Å; M1316-L1340 HydrophobicContact CE-CG 4.25Å; M1316-L1340 HydrophobicContact SD-CD2 4.32Å; L1336-L1340 WeakPolarHBondContact O-CG 3.3Å; L1336-L1340 PolarHBondContact O-N 3.16Å; L1340-Q1342 VanDerWaalsContact C-N 3.33Å; L1340-Q1342 PolarHBondContact O-N 3Å; L1340-I1343 PolarHBondContact O-N 2.96Å; L1340-Y1344 VanDerWaalsContact O-CB 3.3Å; L1340-Y1344 WeakPolarHBondContact O-CB 3.47Å; L1340-Y1344 PolarHBondContact O-N 3.43Å; L1340-L1388 HydrophobicContact CD1-CD1 4.44Å; L1340-L1388 HydrophobicContact CD2-CD1 4.19Å; L1340-I1399 HydrophobicContact CD1-CG2 3.74Å; L1340-L1402 HydrophobicContact CB-CD2 3.56Å; L1340-L1402 HydrophobicContact CB-CG 4.06Å; L1340-I1406 HydrophobicContact CB-CD1 4.37Å; L1340-I1406 HydrophobicContact CD2-CD1 4.02Å |
| 1341 | L | 92.8 | Very high | 80 | Confident | 16 Ų | 16 | 22.6 Ų | 22.6 | 8% | 0.084 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.6 | -37.7 | 175.5 | -79.4 | 173.2 | 0 | 0 | 0 | 112 | R1289 K1290 S1293 H1337 G1338 L1339 A1345 L1402 | R1289-L1341 HydrophobicContact CB-CD1 3.9Å; K1290-L1341 HydrophobicContact CG-CD1 3.9Å; K1290-L1341 HydrophobicContact CG-CD2 4.4Å; S1293-L1341 VanDerWaalsContact CB-C 3.5Å; S1293-L1341 WeakPolarHBondContact CB-O 3.33Å; H1337-L1341 VanDerWaalsContact CE1-CD1 3.46Å; H1337-L1341 WeakPolarHBondContact CE1-CD1 3.49Å; H1337-L1341 WeakPolarHBondContact O-CB 3.43Å; H1337-L1341 VanDerWaalsContact O-CG 3.31Å; H1337-L1341 WeakPolarHBondContact O-CG 3.47Å; H1337-L1341 PolarHBondContact O-N 3.49Å; G1338-L1341 WeakPolarHBondContact O-CB 3.36Å; G1338-L1341 PolarHBondContact O-N 3.21Å; L1339-L1341 VanDerWaalsContact C-N 3.32Å; L1339-L1341 PolarHBondContact O-N 2.97Å; L1341-A1345 WeakPolarHBondContact O-CB 3.3Å; L1341-A1345 PolarHBondContact O-N 3.01Å; L1341-L1402 HydrophobicContact CB-CD2 4.39Å; L1341-L1402 HydrophobicContact CD2-CD1 4.3Å; L1341-L1402 HydrophobicContact CD2-CD2 3.7Å; L1341-L1402 HydrophobicContact CG-CD2 3.67Å |
| 1342 | Q | 93.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68 | -43.8 | 176.1 | -74.3 | 169.1 | -9.9 | 0 | 0 | 111.7 | L1277 I1278 L1296 L1312 G1338 L1339 L1340 A1345 L1346 | L1277-Q1342 PolarHBondContact O-NE2 3.17Å; I1278-Q1342 PolarHBondContact O-NE2 3.34Å; L1296-Q1342 HydrophobicContact CD2-CB 3.92Å; L1296-Q1342 HydrophobicContact CD2-CG 3.84Å; L1312-Q1342 HydrophobicContact CD1-CB 3.97Å; G1338-Q1342 WeakPolarHBondContact O-CG 3.21Å; G1338-Q1342 PolarHBondContact O-N 3.38Å; L1339-Q1342 WeakPolarHBondContact O-CB 3.43Å; L1339-Q1342 PolarHBondContact O-N 3.07Å; L1340-Q1342 VanDerWaalsContact C-N 3.33Å; L1340-Q1342 PolarHBondContact O-N 3Å; Q1342-A1345 PolarHBondContact O-N 3.15Å; Q1342-L1346 WeakPolarHBondContact O-CG 3.37Å; Q1342-L1346 PolarHBondContact O-N 2.79Å |
| 1343 | I | 91.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.8 | -49.8 | 172.9 | -67.6 | 167.4 | 0 | 0 | 0 | 109.9 | L1312 F1313 M1316 L1339 L1340 A1345 L1346 I1347 I1406 | L1312-I1343 HydrophobicContact CB-CD1 4.16Å; L1312-I1343 HydrophobicContact CB-CG1 3.95Å; L1312-I1343 HydrophobicContact CD1-CG1 3.7Å; L1312-I1343 HydrophobicContact CG-CG1 4.48Å; F1313-I1343 HydrophobicContact CD1-CD1 3.93Å; F1313-I1343 HydrophobicContact CE1-CD1 3.7Å; M1316-I1343 HydrophobicContact SD-CD1 3.5Å; M1316-I1343 VanDerWaalsContact SD-CD1 3.5Å; L1339-I1343 WeakPolarHBondContact O-CG1 3.24Å; L1339-I1343 PolarHBondContact O-N 3.43Å; L1340-I1343 PolarHBondContact O-N 2.96Å; I1343-A1345 PolarHBondContact O-N 3.06Å; I1343-L1346 PolarHBondContact O-N 3.08Å; I1343-I1347 HydrophobicContact CG2-CD1 3.67Å; I1343-I1347 HydrophobicContact CG2-CG1 4.48Å; I1343-I1347 VanDerWaalsContact O-CG1 3.28Å; I1343-I1347 WeakPolarHBondContact O-CG1 3.38Å; I1343-I1347 PolarHBondContact O-N 3.08Å; I1343-I1406 HydrophobicContact CG2-CD1 4.39Å |
| 1344 | Y | 85.8 | Confident | 74.5 | Confident | 55 Ų | 55 | 30.1 Ų | 30.1 | 22% | 0.216 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.2 | -48.8 | 176.2 | 179.6 | -89.8 | 0 | 0 | 0 | 111.4 | L1340 L1346 I1347 Y1348 L1402 K1405 I1406 | L1340-Y1344 VanDerWaalsContact O-CB 3.3Å; L1340-Y1344 WeakPolarHBondContact O-CB 3.47Å; L1340-Y1344 PolarHBondContact O-N 3.43Å; Y1344-L1346 PolarHBondContact O-N 3.2Å; Y1344-I1347 PolarHBondContact O-N 2.65Å; Y1344-Y1348 HydrophobicContact CD1-CD2 4.19Å; Y1344-Y1348 AromaticContact CD2-CD2 3.31Å; Y1344-Y1348 HydrophobicContact CD2-CD2 3.31Å; Y1344-Y1348 AromaticContact CD2-CE2 3.51Å; Y1344-Y1348 HydrophobicContact CD2-CE2 3.51Å; Y1344-Y1348 HydrophobicContact CD2-CG 4.47Å; Y1344-Y1348 HydrophobicContact CE1-CD2 4.17Å; Y1344-Y1348 AromaticContact CE2-CD2 3.31Å; Y1344-Y1348 HydrophobicContact CE2-CD2 3.31Å; Y1344-Y1348 AromaticContact CE2-CE2 3.66Å; Y1344-Y1348 HydrophobicContact CE2-CE2 3.66Å; Y1344-Y1348 HydrophobicContact CE2-CG 4.13Å; Y1344-Y1348 AromaticContact CG-CD2 3.77Å; Y1344-Y1348 HydrophobicContact CG-CD2 3.77Å; Y1344-Y1348 HydrophobicContact CG-CE2 4.27Å; Y1344-Y1348 AromaticContact CZ-CD2 3.75Å; Y1344-Y1348 WeakPolarHBondContact O-CD2 3.46Å; Y1344-Y1348 PolarHBondContact O-N 3.33Å; Y1344-L1402 HydrophobicContact CD2-CD1 4.13Å; Y1344-L1402 HydrophobicContact CG-CD1 4.12Å; Y1344-K1405 HydrophobicContact CE2-CD 3.77Å; Y1344-K1405 HydrophobicContact CE2-CG 4.07Å; Y1344-K1405 VanDerWaalsContact OH-CE 3.32Å; Y1344-K1405 WeakPolarHBondContact OH-CE 3.48Å; Y1344-K1405 PolarHBondContact OH-NZ 2.72Å; Y1344-I1406 HydrophobicContact CD2-CG1 3.88Å; Y1344-I1406 HydrophobicContact CG-CG1 4.47Å |
| 1345 | A | 84 | Confident | 71.7 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1293 T1297 L1341 Q1342 I1343 I1347 Y1348 S1349 | S1293-A1345 VanDerWaalsContact O-CB 3.31Å; S1293-A1345 WeakPolarHBondContact O-CB 3.47Å; T1297-A1345 HydrophobicContact CG2-CB 3.93Å; L1341-A1345 WeakPolarHBondContact O-CB 3.3Å; L1341-A1345 PolarHBondContact O-N 3.01Å; Q1342-A1345 PolarHBondContact O-N 3.15Å; I1343-A1345 PolarHBondContact O-N 3.06Å; A1345-I1347 VanDerWaalsContact C-N 3.33Å; A1345-I1347 PolarHBondContact O-N 2.59Å; A1345-Y1348 PolarHBondContact O-N 2.95Å; A1345-S1349 VanDerWaalsContact O-CB 3.25Å; A1345-S1349 WeakPolarHBondContact O-CB 3.33Å; A1345-S1349 PolarHBondContact O-N 3.14Å; A1345-S1349 PolarHBondContact O-OG 2.84Å |
| 1346 | L | 85.8 | Confident | 68.7 | Low | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -33.6 | 179.1 | -71.7 | 172.4 | 0 | 0 | 0 | 113.2 | L1296 T1297 I1300 I1305 T1308 I1309 L1312 Q1342 I1343 Y1344 | L1296-L1346 HydrophobicContact CD2-CD1 4.26Å; T1297-L1346 HydrophobicContact CG2-CD2 4.4Å; I1300-L1346 HydrophobicContact CB-CD2 4.03Å; I1300-L1346 HydrophobicContact CG1-CD2 4.05Å; I1300-L1346 HydrophobicContact CG2-CD2 4.09Å; I1305-L1346 HydrophobicContact CG2-CB 4.29Å; T1308-L1346 HydrophobicContact CG2-CD1 3.65Å; I1309-L1346 HydrophobicContact CG1-CD1 4.26Å; L1312-L1346 HydrophobicContact CD1-CD1 3.83Å; Q1342-L1346 WeakPolarHBondContact O-CG 3.37Å; Q1342-L1346 PolarHBondContact O-N 2.79Å; I1343-L1346 PolarHBondContact O-N 3.08Å; Y1344-L1346 PolarHBondContact O-N 3.2Å |
| 1347 | I | 77.3 | Confident | 65.8 | Low | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.8 | -43 | 176.2 | -61.1 | 167.6 | 0 | 0 | 0 | 110.7 | I1309 I1343 Y1344 A1345 M1351 Y1374 V1377 I1406 | I1309-I1347 HydrophobicContact CD1-CG1 4.05Å; I1343-I1347 HydrophobicContact CG2-CD1 3.67Å; I1343-I1347 HydrophobicContact CG2-CG1 4.48Å; I1343-I1347 VanDerWaalsContact O-CG1 3.28Å; I1343-I1347 WeakPolarHBondContact O-CG1 3.38Å; I1343-I1347 PolarHBondContact O-N 3.08Å; Y1344-I1347 PolarHBondContact O-N 2.65Å; A1345-I1347 VanDerWaalsContact C-N 3.33Å; A1345-I1347 PolarHBondContact O-N 2.59Å; I1347-M1351 WeakPolarHBondContact O-CG 3.28Å; I1347-Y1374 HydrophobicContact CG2-CD2 4.3Å; I1347-Y1374 HydrophobicContact CG2-CE2 3.94Å; I1347-V1377 HydrophobicContact CD1-CG1 4.06Å; I1347-I1406 HydrophobicContact CD1-CG2 4.02Å |
| 1348 | Y | 68.5 | Low | 62.8 | Low | 22 Ų | 22 | 48.9 Ų | 48.9 | 9% | 0.086 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -110.5 | -30 | -165.7 | -59.8 | -68.9 | 0 | 0 | 0 | 116.9 | Y1344 A1345 N1350 M1351 D1352 Y1374 C1409 | Y1344-Y1348 HydrophobicContact CD1-CD2 4.19Å; Y1344-Y1348 AromaticContact CD2-CD2 3.31Å; Y1344-Y1348 HydrophobicContact CD2-CD2 3.31Å; Y1344-Y1348 AromaticContact CD2-CE2 3.51Å; Y1344-Y1348 HydrophobicContact CD2-CE2 3.51Å; Y1344-Y1348 HydrophobicContact CD2-CG 4.47Å; Y1344-Y1348 HydrophobicContact CE1-CD2 4.17Å; Y1344-Y1348 AromaticContact CE2-CD2 3.31Å; Y1344-Y1348 HydrophobicContact CE2-CD2 3.31Å; Y1344-Y1348 AromaticContact CE2-CE2 3.66Å; Y1344-Y1348 HydrophobicContact CE2-CE2 3.66Å; Y1344-Y1348 HydrophobicContact CE2-CG 4.13Å; Y1344-Y1348 AromaticContact CG-CD2 3.77Å; Y1344-Y1348 HydrophobicContact CG-CD2 3.77Å; Y1344-Y1348 HydrophobicContact CG-CE2 4.27Å; Y1344-Y1348 AromaticContact CZ-CD2 3.75Å; Y1344-Y1348 WeakPolarHBondContact O-CD2 3.46Å; Y1344-Y1348 PolarHBondContact O-N 3.33Å; A1345-Y1348 PolarHBondContact O-N 2.95Å; Y1348-N1350 PolarHBondContact O-N 3.37Å; Y1348-M1351 HydrophobicContact CD1-CE 4.49Å; Y1348-M1351 WeakPolarHBondContact O-CA 3.47Å; Y1348-M1351 VanDerWaalsContact O-CB 3.27Å; Y1348-M1351 WeakPolarHBondContact O-CB 3.49Å; Y1348-M1351 PolarHBondContact O-N 2.83Å; Y1348-D1352 PolarHBondContact O-N 3.45Å; Y1348-D1352 VanDerWaalsContact O-N 3.08Å; Y1348-Y1374 PolarHBondContact OH-OH 3.05Å; Y1348-C1409 HydrophobicContact CE1-CB 3.54Å; Y1348-C1409 VanDerWaalsContact CE1-SG 3.56Å; Y1348-C1409 HydrophobicContact CE2-CB 4.35Å; Y1348-C1409 WeakPolarHBondContact OH-CB 3.4Å; Y1348-C1409 PolarHBondContact OH-SG 3.46Å; Y1348-C1409 VanDerWaalsContact OH-SG 3.4Å |
| 1349 | S | 59.5 | Low | 59.7 | Low | 28 Ų | 28 | 52.2 Ų | 52.2 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.3 | 179.5 | 68.8 | 0 | 0 | 0 | 0 | 112.5 | T1297 A1345 M1351 V1353 | T1297-S1349 WeakPolarHBondContact CG2-OG 3.25Å; A1345-S1349 VanDerWaalsContact O-CB 3.25Å; A1345-S1349 WeakPolarHBondContact O-CB 3.33Å; A1345-S1349 PolarHBondContact O-N 3.14Å; A1345-S1349 PolarHBondContact O-OG 2.84Å; S1349-M1351 VanDerWaalsContact C-N 3.32Å; S1349-V1353 WeakPolarHBondContact O-CG2 3.49Å |
| 1350 | N | 48.1 | Very low | 56.5 | Low | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -8 | 167.6 | -71.8 | -29.7 | 0 | 0 | 0 | 113.2 | I1305 Y1348 | I1305-N1350 WeakPolarHBondContact CD1-ND2 3.26Å; Y1348-N1350 PolarHBondContact O-N 3.37Å |
| 1351 | M | 37.2 | Very low | 53.2 | Low | 75 Ų | 75 | 68 Ų | 68 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -39 | 177.1 | -61.1 | -103.8 | -80 | 0 | 0 | 112.2 | I1347 Y1348 S1349 V1353 | I1347-M1351 WeakPolarHBondContact O-CG 3.28Å; Y1348-M1351 HydrophobicContact CD1-CE 4.49Å; Y1348-M1351 WeakPolarHBondContact O-CA 3.47Å; Y1348-M1351 VanDerWaalsContact O-CB 3.27Å; Y1348-M1351 WeakPolarHBondContact O-CB 3.49Å; Y1348-M1351 PolarHBondContact O-N 2.83Å; S1349-M1351 VanDerWaalsContact C-N 3.32Å; M1351-V1353 PolarHBondContact O-N 3.44Å; M1351-V1353 VanDerWaalsContact O-N 3.15Å |
| 1352 | D | 34.9 | Very low | 50 | Low | 137 Ų | 137 | 72.2 Ų | 72.2 | 73% | 0.733 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 11.1 | -177 | -88.3 | -14.1 | 0 | 0 | 0 | 114.9 | Y1348 H1354 | Y1348-D1352 PolarHBondContact O-N 3.45Å; Y1348-D1352 VanDerWaalsContact O-N 3.08Å; D1352-H1354 PolarHBondContact O-N 3.14Å |
| 1353 | V | 35.4 | Very low | 46.7 | Very low | 64 Ų | 64 | 78.2 Ų | 78.2 | 39% | 0.388 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -3.8 | 177.8 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | S1349 M1351 | S1349-V1353 WeakPolarHBondContact O-CG2 3.49Å; M1351-V1353 PolarHBondContact O-N 3.44Å; M1351-V1353 VanDerWaalsContact O-N 3.15Å |
| 1354 | H | 31.2 | Very low | 43.6 | Very low | 119 Ų | 119 | 82.3 Ų | 82.3 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -107.5 | 141.7 | 178.1 | -64.6 | -80.6 | 0 | 0 | 0 | 111.1 | D1352 T1365 | D1352-H1354 PolarHBondContact O-N 3.14Å; H1354-T1365 VanDerWaalsContact CD2-CG2 3.46Å; H1354-T1365 WeakPolarHBondContact CD2-CG2 3.48Å |
| 1355 | D | 28.2 | Very low | 41 | Very low | 146 Ų | 146 | 81.1 Ų | 81.1 | 78% | 0.781 | 46% | 0.46 | S | S | * | . | trans | -52.8 | 153.7 | -158.5 | -69.3 | -62.8 | 0 | 0 | 0 | 116.7 | T1357 | D1355-T1357 PolarHBondContact O-N 3.11Š| ||
| 1356 | S | 27.2 | Very low | 38.8 | Very low | 115 Ų | 115 | 84.4 Ų | 84.4 | 80% | 0.804 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -71 | 51.8 | -174 | 53 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1357 | T | 27.9 | Very low | 36.7 | Very low | 89 Ų | 89 | 88.6 Ų | 88.6 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | trans | -147.5 | 121.6 | 167.5 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | D1355 S1359 | D1355-T1357 PolarHBondContact O-N 3.11Å; T1357-S1359 PolarHBondContact O-N 3.39Å; T1357-S1359 PolarHBondContact OG1-OG 3.15Å | ||
| 1358 | P | 29.6 | Very low | 35.5 | Very low | 118 Ų | 118 | 93.9 Ų | 93.9 | 77% | 0.766 | 53% | 0.526 | S | S | * | . | trans | -77.1 | 60.4 | 167.6 | 33.4 | -31.3 | 0 | 0 | 0 | 109 | V1360 | P1358-V1360 PolarHBondContact O-N 2.62Š| ||
| 1359 | S | 27.2 | Very low | 35 | Very low | 71 Ų | 71 | 94 Ų | 94 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | trans | -84.6 | 104.5 | 169.4 | 51.2 | 0 | 0 | 0 | 0 | 107.5 | T1357 Y1361 | T1357-S1359 PolarHBondContact O-N 3.39Å; T1357-S1359 PolarHBondContact OG1-OG 3.15Å; S1359-Y1361 PolarHBondContact O-N 3.21Å | ||
| 1360 | V | 26.5 | Very low | 35.2 | Very low | 125 Ų | 125 | 94.9 Ų | 94.9 | 76% | 0.758 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 27.1 | -13.2 | 151.5 | -173.9 | 0 | 0 | 0 | 0 | 121.7 | P1358 | P1358-V1360 PolarHBondContact O-N 2.62Š|
| 1361 | Y | 25.4 | Very low | 36 | Very low | 205 Ų | 205 | 99 Ų | 99 | 80% | 0.804 | 55% | 0.551 | S | S | * | * | trans | -133.4 | 54.4 | 179.5 | -59.6 | -77.2 | 0 | 0 | 0 | 110.4 | S1359 V1363 | S1359-Y1361 PolarHBondContact O-N 3.21Å; Y1361-V1363 VanDerWaalsContact C-N 3.31Å; Y1361-V1363 PolarHBondContact O-N 3.24Å | ||
| 1362 | T | 24.1 | Very low | 37.7 | Very low | 105 Ų | 105 | 98.9 Ų | 98.9 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | trans | -69.1 | 97.1 | 161.8 | 39 | 0 | 0 | 0 | 0 | 107.4 | P1364 | T1362-P1364 VanDerWaalsContact O-CD 3.25Å; T1362-P1364 WeakPolarHBondContact O-CD 3.39Å | ||
| 1363 | V | 25.6 | Very low | 39.7 | Very low | 127 Ų | 127 | 95.1 Ų | 95.1 | 77% | 0.77 | 54% | 0.537 | S | S | * | . | trans | -47.6 | 114.3 | 155.9 | 176 | 0 | 0 | 0 | 0 | 105.1 | Y1361 T1365 | Y1361-V1363 VanDerWaalsContact C-N 3.31Å; Y1361-V1363 PolarHBondContact O-N 3.24Å; V1363-T1365 PolarHBondContact O-N 3.22Å | ||
| 1364 | P | 27 | Very low | 41.5 | Very low | 85 Ų | 85 | 93 Ų | 93 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | trans | -63.1 | 119.3 | -164.7 | -21.7 | 31.5 | 0 | 0 | 0 | 108.7 | T1362 I1366 | T1362-P1364 VanDerWaalsContact O-CD 3.25Å; T1362-P1364 WeakPolarHBondContact O-CD 3.39Å; P1364-I1366 HydrophobicContact CB-CB 4Å; P1364-I1366 HydrophobicContact CB-CD1 3.46Å; P1364-I1366 VanDerWaalsContact CB-CD1 3.46Å; P1364-I1366 HydrophobicContact CB-CG1 3.61Å; P1364-I1366 HydrophobicContact CG-CD1 4.43Å; P1364-I1366 PolarHBondContact O-N 2.86Å | ||
| 1365 | T | 31.4 | Very low | 43.6 | Very low | 30 Ų | 30 | 91.8 Ų | 91.8 | 18% | 0.184 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -65.1 | 23.7 | 172.5 | -30.9 | 0 | 0 | 0 | 0 | 112.6 | H1354 V1363 S1367 | H1354-T1365 VanDerWaalsContact CD2-CG2 3.46Å; H1354-T1365 WeakPolarHBondContact CD2-CG2 3.48Å; V1363-T1365 PolarHBondContact O-N 3.22Å; T1365-S1367 PolarHBondContact O-N 3.34Å; T1365-S1367 VanDerWaalsContact O-N 3.16Å |
| 1366 | I | 36 | Very low | 46.1 | Very low | 72 Ų | 72 | 88.2 Ų | 88.2 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 2.5 | 171.9 | -65.6 | 177.9 | 0 | 0 | 0 | 111.6 | P1364 Y1368 Y1411 | P1364-I1366 HydrophobicContact CB-CB 4Å; P1364-I1366 HydrophobicContact CB-CD1 3.46Å; P1364-I1366 VanDerWaalsContact CB-CD1 3.46Å; P1364-I1366 HydrophobicContact CB-CG1 3.61Å; P1364-I1366 HydrophobicContact CG-CD1 4.43Å; P1364-I1366 PolarHBondContact O-N 2.86Å; I1366-Y1368 VanDerWaalsContact C-N 3.31Å; I1366-Y1368 PolarHBondContact O-N 3.36Å; I1366-Y1411 HydrophobicContact CD1-CE1 4.32Å; I1366-Y1411 WeakPolarHBondContact CG2-OH 3.49Å |
| 1367 | S | 43.1 | Very low | 48.8 | Very low | 90 Ų | 90 | 82.8 Ų | 82.8 | 63% | 0.629 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -14.8 | -170.5 | 70.2 | 0 | 0 | 0 | 0 | 115.9 | T1365 | T1365-S1367 PolarHBondContact O-N 3.34Å; T1365-S1367 VanDerWaalsContact O-N 3.16Å |
| 1368 | Y | 50.9 | Low | 51.4 | Low | 121 Ų | 121 | 78.9 Ų | 78.9 | 48% | 0.475 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -109.4 | -34.3 | -175.8 | -65.1 | -61 | 0 | 0 | 0 | 115.2 | P1302 I1366 | P1302-Y1368 HydrophobicContact CB-CD1 3.17Å; P1302-Y1368 HydrophobicContact CB-CE1 3.74Å; P1302-Y1368 HydrophobicContact CB-CG 3.78Å; P1302-Y1368 HydrophobicContact CG-CD1 3.47Å; P1302-Y1368 VanDerWaalsContact CG-CD1 3.47Å; P1302-Y1368 HydrophobicContact CG-CE1 3.52Å; P1302-Y1368 HydrophobicContact CG-CG 4.04Å; I1366-Y1368 VanDerWaalsContact C-N 3.31Å; I1366-Y1368 PolarHBondContact O-N 3.36Å |
| 1369 | L | 57.7 | Low | 53.8 | Low | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.131 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -114.4 | 109.7 | 173.6 | -122 | 130 | 0 | 0 | 0 | 107.8 | I1305 I1309 N1373 | I1305-L1369 HydrophobicContact CB-CD1 4.24Å; I1305-L1369 HydrophobicContact CG2-CD1 3.43Å; I1305-L1369 VanDerWaalsContact CG2-CD1 3.43Å; I1309-L1369 HydrophobicContact CD1-CD1 4.25Å; L1369-N1373 HydrophobicContact CD2-CB 3.63Å; L1369-N1373 HydrophobicContact CG-CB 4.36Å |
| 1370 | S | 65.6 | Low | 56.6 | Low | 47 Ų | 47 | 75.8 Ų | 75.8 | 33% | 0.329 | 41% | 0.408 | S | S | . | . | trans | -57.5 | 153.5 | 176.9 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | S1372 N1373 Y1374 | S1370-S1372 PolarHBondContact O-N 3.02Å; S1370-S1372 VanDerWaalsContact O-N 3.12Å; S1370-S1372 PolarHBondContact OG-OG 2.99Å; S1370-N1373 PolarHBondContact O-N 3.16Å; S1370-N1373 WeakPolarHBondContact OG-CB 3.44Å; S1370-N1373 VanDerWaalsContact OG-CG 3.26Å; S1370-N1373 PolarHBondContact OG-N 3.48Å; S1370-N1373 PolarHBondContact OG-ND2 3.25Å; S1370-Y1374 PolarHBondContact O-N 3.43Å | ||
| 1371 | K | 64.9 | Low | 59.4 | Low | 114 Ų | 114 | 69.8 Ų | 69.8 | 50% | 0.496 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -47.4 | -42.2 | 173 | -173.1 | 161.4 | -164.3 | 166.1 | 0 | 112.8 | L1375 Y1411 | K1371-L1375 VanDerWaalsContact O-CB 3.3Å; K1371-L1375 WeakPolarHBondContact O-CB 3.25Å; K1371-L1375 PolarHBondContact O-N 3.41Å; K1371-Y1411 WeakPolarHBondContact CA-OH 3.24Å; K1371-Y1411 HydrophobicContact CB-CE1 3.55Å; K1371-Y1411 HydrophobicContact CB-CE2 4.28Å; K1371-Y1411 WeakPolarHBondContact CB-OH 3.46Å; K1371-Y1411 HydrophobicContact CD-CD1 3.8Å; K1371-Y1411 HydrophobicContact CD-CE1 3.29Å; K1371-Y1411 VanDerWaalsContact CE-CD1 3.43Å; K1371-Y1411 HydrophobicContact CG-CD1 3.72Å; K1371-Y1411 HydrophobicContact CG-CE1 3.17Å; K1371-Y1411 HydrophobicContact CG-CE2 4.35Å; K1371-Y1411 PolarHBondContact N-OH 3.1Å; K1371-Y1411 VanDerWaalsContact N-OH 3.1Å |
| 1372 | S | 71.5 | Confident | 62 | Low | 71 Ų | 71 | 63.1 Ų | 63.1 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -51.4 | 176.9 | 62 | 0 | 0 | 0 | 0 | 111.8 | S1370 Y1374 L1375 T1376 | S1370-S1372 PolarHBondContact O-N 3.02Å; S1370-S1372 VanDerWaalsContact O-N 3.12Å; S1370-S1372 PolarHBondContact OG-OG 2.99Å; S1372-Y1374 PolarHBondContact O-N 3.31Å; S1372-L1375 PolarHBondContact O-N 3.03Å; S1372-T1376 PolarHBondContact O-N 2.98Å; S1372-T1376 PolarHBondContact O-OG1 2.94Å |
| 1373 | N | 76.3 | Confident | 64.6 | Low | 59 Ų | 59 | 64.9 Ų | 64.9 | 32% | 0.316 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.8 | -40.3 | -177.6 | -72.3 | -10 | 0 | 0 | 0 | 111.3 | M1306 L1369 S1370 L1375 T1376 V1377 | M1306-N1373 HydrophobicContact SD-CB 4.07Å; L1369-N1373 HydrophobicContact CD2-CB 3.63Å; L1369-N1373 HydrophobicContact CG-CB 4.36Å; S1370-N1373 PolarHBondContact O-N 3.16Å; S1370-N1373 WeakPolarHBondContact OG-CB 3.44Å; S1370-N1373 VanDerWaalsContact OG-CG 3.26Å; S1370-N1373 PolarHBondContact OG-N 3.48Å; S1370-N1373 PolarHBondContact OG-ND2 3.25Å; N1373-L1375 VanDerWaalsContact C-N 3.34Å; N1373-L1375 PolarHBondContact O-N 3.25Å; N1373-T1376 WeakPolarHBondContact O-CB 3.34Å; N1373-T1376 PolarHBondContact O-N 2.88Å; N1373-V1377 WeakPolarHBondContact O-CG2 3.35Å; N1373-V1377 PolarHBondContact O-N 2.95Å |
| 1374 | Y | 75.1 | Confident | 67.4 | Low | 20 Ų | 20 | 61.5 Ų | 61.5 | 8% | 0.078 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 174.9 | -179.6 | -91.7 | 0 | 0 | 0 | 110.8 | I1347 Y1348 S1370 S1372 T1376 V1377 I1378 C1409 Y1411 | I1347-Y1374 HydrophobicContact CG2-CD2 4.3Å; I1347-Y1374 HydrophobicContact CG2-CE2 3.94Å; Y1348-Y1374 PolarHBondContact OH-OH 3.05Å; S1370-Y1374 PolarHBondContact O-N 3.43Å; S1372-Y1374 PolarHBondContact O-N 3.31Å; Y1374-T1376 VanDerWaalsContact C-N 3.28Å; Y1374-T1376 PolarHBondContact O-N 3.26Å; Y1374-V1377 WeakPolarHBondContact O-CB 3.5Å; Y1374-V1377 PolarHBondContact O-N 3.42Å; Y1374-V1377 VanDerWaalsContact O-N 3.14Å; Y1374-I1378 HydrophobicContact CD1-CG1 3.87Å; Y1374-I1378 HydrophobicContact CE1-CD1 4.15Å; Y1374-I1378 HydrophobicContact CE1-CG1 3.45Å; Y1374-I1378 VanDerWaalsContact CE1-CG1 3.45Å; Y1374-I1378 HydrophobicContact CE2-CD1 4.35Å; Y1374-I1378 HydrophobicContact CE2-CG1 4.3Å; Y1374-I1378 HydrophobicContact CG-CG1 4.5Å; Y1374-I1378 WeakPolarHBondContact O-CG1 2.96Å; Y1374-I1378 PolarHBondContact O-N 2.94Å; Y1374-C1409 PolarHBondContact OH-O 3.01Å; Y1374-Y1411 AromaticContact CD1-CD2 3.11Å; Y1374-Y1411 HydrophobicContact CD1-CD2 3.11Å; Y1374-Y1411 AromaticContact CD1-CE2 3.89Å; Y1374-Y1411 HydrophobicContact CD1-CE2 3.89Å; Y1374-Y1411 AromaticContact CD1-CG 3.82Å; Y1374-Y1411 HydrophobicContact CD1-CG 3.82Å; Y1374-Y1411 HydrophobicContact CD2-CD2 4.18Å; Y1374-Y1411 AromaticContact CE1-CD2 3.61Å; Y1374-Y1411 HydrophobicContact CE1-CD2 3.61Å; Y1374-Y1411 HydrophobicContact CE1-CG 4.09Å; Y1374-Y1411 AromaticContact CG-CD2 3.42Å; Y1374-Y1411 HydrophobicContact CG-CD2 3.42Å; Y1374-Y1411 VanDerWaalsContact CG-CD2 3.42Å; Y1374-Y1411 AromaticContact CG-CE2 3.76Å; Y1374-Y1411 HydrophobicContact CG-CE2 3.76Å |
| 1375 | L | 73.9 | Confident | 70.3 | Confident | 93 Ų | 93 | 57.4 Ų | 57.4 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -38 | 177.4 | -171.2 | 63.9 | 0 | 0 | 0 | 111.7 | K1371 S1372 N1373 I1378 N1379 | K1371-L1375 VanDerWaalsContact O-CB 3.3Å; K1371-L1375 WeakPolarHBondContact O-CB 3.25Å; K1371-L1375 PolarHBondContact O-N 3.41Å; S1372-L1375 PolarHBondContact O-N 3.03Å; N1373-L1375 VanDerWaalsContact C-N 3.34Å; N1373-L1375 PolarHBondContact O-N 3.25Å; L1375-I1378 PolarHBondContact O-N 3.45Å; L1375-N1379 VanDerWaalsContact O-CB 3.23Å; L1375-N1379 WeakPolarHBondContact O-CB 3.25Å; L1375-N1379 PolarHBondContact O-N 2.61Å; L1375-N1379 PolarHBondContact O-ND2 3.1Å |
| 1376 | T | 80.9 | Confident | 72.5 | Confident | 71 Ų | 71 | 59.3 Ų | 59.3 | 44% | 0.436 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 173 | -54.3 | 0 | 0 | 0 | 0 | 112 | M1306 S1372 N1373 Y1374 N1379 R1380 | M1306-T1376 HydrophobicContact CE-CG2 3.8Å; S1372-T1376 PolarHBondContact O-N 2.98Å; S1372-T1376 PolarHBondContact O-OG1 2.94Å; N1373-T1376 WeakPolarHBondContact O-CB 3.34Å; N1373-T1376 PolarHBondContact O-N 2.88Å; Y1374-T1376 VanDerWaalsContact C-N 3.28Å; Y1374-T1376 PolarHBondContact O-N 3.26Å; T1376-N1379 PolarHBondContact O-N 2.93Å; T1376-R1380 WeakPolarHBondContact O-CB 3.27Å; T1376-R1380 PolarHBondContact O-N 3.18Å |
| 1377 | V | 84.1 | Confident | 74.7 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | M1306 I1309 F1313 I1347 N1373 Y1374 R1380 L1381 | M1306-V1377 HydrophobicContact CE-CG2 3.73Å; M1306-V1377 HydrophobicContact SD-CG2 3.61Å; I1309-V1377 HydrophobicContact CD1-CG2 4.2Å; I1309-V1377 HydrophobicContact CG2-CG1 4.04Å; I1309-V1377 HydrophobicContact CG2-CG2 3.86Å; F1313-V1377 HydrophobicContact CE2-CG1 4.14Å; F1313-V1377 HydrophobicContact CZ-CG1 3.79Å; I1347-V1377 HydrophobicContact CD1-CG1 4.06Å; N1373-V1377 WeakPolarHBondContact O-CG2 3.35Å; N1373-V1377 PolarHBondContact O-N 2.95Å; Y1374-V1377 WeakPolarHBondContact O-CB 3.5Å; Y1374-V1377 PolarHBondContact O-N 3.42Å; Y1374-V1377 VanDerWaalsContact O-N 3.14Å; V1377-R1380 PolarHBondContact O-N 3.38Å; V1377-L1381 HydrophobicContact CG1-CD1 4.25Å; V1377-L1381 PolarHBondContact O-N 3.15Å |
| 1378 | I | 82.2 | Confident | 76.5 | Confident | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 179.2 | -63.7 | -56 | 0 | 0 | 0 | 111.5 | Y1374 L1375 L1381 K1382 I1406 L1407 | Y1374-I1378 HydrophobicContact CD1-CG1 3.87Å; Y1374-I1378 HydrophobicContact CE1-CD1 4.15Å; Y1374-I1378 HydrophobicContact CE1-CG1 3.45Å; Y1374-I1378 VanDerWaalsContact CE1-CG1 3.45Å; Y1374-I1378 HydrophobicContact CE2-CD1 4.35Å; Y1374-I1378 HydrophobicContact CE2-CG1 4.3Å; Y1374-I1378 HydrophobicContact CG-CG1 4.5Å; Y1374-I1378 WeakPolarHBondContact O-CG1 2.96Å; Y1374-I1378 PolarHBondContact O-N 2.94Å; L1375-I1378 PolarHBondContact O-N 3.45Å; I1378-L1381 HydrophobicContact CD1-CD1 4.39Å; I1378-L1381 WeakPolarHBondContact O-CB 3.45Å; I1378-L1381 PolarHBondContact O-N 2.95Å; I1378-K1382 HydrophobicContact CG2-CD 4.23Å; I1378-K1382 WeakPolarHBondContact O-CG 3.47Å; I1378-K1382 PolarHBondContact O-N 3.13Å; I1378-I1406 HydrophobicContact CD1-CG2 4.47Å; I1378-I1406 WeakPolarHBondContact CD1-O 3.46Å; I1378-L1407 HydrophobicContact CG2-CD2 4.12Å |
| 1379 | N | 80.6 | Confident | 77.5 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 35% | 0.348 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.8 | -74.6 | -13.6 | 0 | 0 | 0 | 111.7 | L1375 T1376 K1382 L1383 | L1375-N1379 VanDerWaalsContact O-CB 3.23Å; L1375-N1379 WeakPolarHBondContact O-CB 3.25Å; L1375-N1379 PolarHBondContact O-N 2.61Å; L1375-N1379 PolarHBondContact O-ND2 3.1Å; T1376-N1379 PolarHBondContact O-N 2.93Å; N1379-K1382 PolarHBondContact O-N 2.9Å; N1379-L1383 WeakPolarHBondContact O-CB 3.49Å; N1379-L1383 WeakPolarHBondContact O-CG 3.47Å; N1379-L1383 PolarHBondContact O-N 2.72Å |
| 1380 | R | 85.4 | Confident | 78 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 22% | 0.223 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 174.2 | -169.8 | 166 | 177.8 | -171.8 | -0.2 | 111.6 | N1310 F1313 D1314 E1317 T1376 V1377 K1382 L1383 S1384 F1385 | N1310-R1380 PolarHBondContact OD1-NH1 3.19Å; F1313-R1380 HydrophobicContact CD2-CG 4.1Å; F1313-R1380 HydrophobicContact CE2-CB 4.17Å; F1313-R1380 HydrophobicContact CE2-CG 4.22Å; D1314-R1380 IonicContact OD1-CZ 3.66Å; D1314-R1380 IonicContact OD1-NH1 2.54Å; D1314-R1380 IonicContact OD1-NH2 3.02Å; D1314-R1380 PolarHBondContact OD1-NH2 3.07Å; E1317-R1380 IonicContact OE1-CZ 3.79Å; E1317-R1380 IonicContact OE1-NE 3.62Å; E1317-R1380 IonicContact OE1-NH2 2.78Å; E1317-R1380 PolarHBondContact OE1-NH2 3.38Å; E1317-R1380 IonicContact OE2-NH2 3.95Å; T1376-R1380 WeakPolarHBondContact O-CB 3.27Å; T1376-R1380 PolarHBondContact O-N 3.18Å; V1377-R1380 PolarHBondContact O-N 3.38Å; R1380-K1382 VanDerWaalsContact C-N 3.32Å; R1380-K1382 PolarHBondContact O-N 3.48Å; R1380-L1383 PolarHBondContact O-N 3.1Å; R1380-S1384 WeakPolarHBondContact O-CB 3.12Å; R1380-S1384 PolarHBondContact O-N 2.84Å; R1380-F1385 HydrophobicContact CG-CE2 4.27Å |
| 1381 | L | 84.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 172.6 | -81.5 | 165.8 | 0 | 0 | 0 | 113.1 | F1313 V1377 I1378 F1385 Y1403 I1406 L1407 | F1313-L1381 HydrophobicContact CE1-CD1 4.42Å; F1313-L1381 HydrophobicContact CE1-CD2 3.59Å; F1313-L1381 HydrophobicContact CE1-CG 3.7Å; F1313-L1381 HydrophobicContact CZ-CD1 4.22Å; F1313-L1381 HydrophobicContact CZ-CD2 4.14Å; F1313-L1381 HydrophobicContact CZ-CG 3.69Å; V1377-L1381 HydrophobicContact CG1-CD1 4.25Å; V1377-L1381 PolarHBondContact O-N 3.15Å; I1378-L1381 HydrophobicContact CD1-CD1 4.39Å; I1378-L1381 WeakPolarHBondContact O-CB 3.45Å; I1378-L1381 PolarHBondContact O-N 2.95Å; L1381-F1385 HydrophobicContact CD2-CB 4.47Å; L1381-F1385 HydrophobicContact CD2-CD2 4.38Å; L1381-F1385 CarbonylContact O-C 3.58Å; L1381-F1385 WeakPolarHBondContact O-CA 3.26Å; L1381-F1385 WeakPolarHBondContact O-CB 3.47Å; L1381-F1385 PolarHBondContact O-N 3.2Å; L1381-Y1403 HydrophobicContact CB-CE2 4.21Å; L1381-Y1403 HydrophobicContact CD2-CD2 4.1Å; L1381-Y1403 HydrophobicContact CD2-CE2 3.86Å; L1381-Y1403 PolarHBondContact O-OH 2.66Å; L1381-I1406 HydrophobicContact CD1-CG2 3.5Å; L1381-L1407 HydrophobicContact CB-CD2 3.75Å |
| 1382 | K | 80.2 | Confident | 78.2 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.5 | -48.8 | 178.1 | -73 | 174.8 | -179.6 | 174.2 | 0 | 112.4 | I1378 N1379 R1380 S1386 L1407 | I1378-K1382 HydrophobicContact CG2-CD 4.23Å; I1378-K1382 WeakPolarHBondContact O-CG 3.47Å; I1378-K1382 PolarHBondContact O-N 3.13Å; N1379-K1382 PolarHBondContact O-N 2.9Å; R1380-K1382 VanDerWaalsContact C-N 3.32Å; R1380-K1382 PolarHBondContact O-N 3.48Å; K1382-S1386 WeakPolarHBondContact O-CB 3.43Å; K1382-L1407 HydrophobicContact CG-CD2 3.76Å |
| 1383 | L | 80.4 | Confident | 78.1 | Confident | 143 Ų | 143 | 50.2 Ų | 50.2 | 75% | 0.749 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -77 | -46.9 | -172.2 | -67.7 | 171.6 | 0 | 0 | 0 | 112.1 | N1379 R1380 | N1379-L1383 WeakPolarHBondContact O-CB 3.49Å; N1379-L1383 WeakPolarHBondContact O-CG 3.47Å; N1379-L1383 PolarHBondContact O-N 2.72Å; R1380-L1383 PolarHBondContact O-N 3.1Å |
| 1384 | S | 83.6 | Confident | 77.9 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -94.2 | -21.7 | -172.1 | -53.7 | 0 | 0 | 0 | 0 | 113.8 | R1380 W1387 | R1380-S1384 WeakPolarHBondContact O-CB 3.12Å; R1380-S1384 PolarHBondContact O-N 2.84Å; S1384-W1387 PolarHBondContact O-NE1 3.27Å; S1384-W1387 VanDerWaalsContact O-NE1 3.11Å |
| 1385 | F | 87.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -124.1 | 18.2 | -171.7 | -57.1 | -80.4 | 0 | 0 | 0 | 114.6 | F1313 M1316 E1317 R1380 L1381 W1387 L1388 Y1403 | F1313-F1385 HydrophobicContact CB-CE2 3.89Å; F1313-F1385 HydrophobicContact CB-CZ 3.82Å; F1313-F1385 HydrophobicContact CD1-CD2 4.15Å; F1313-F1385 AromaticContact CD1-CE2 3.45Å; F1313-F1385 HydrophobicContact CD1-CE2 3.45Å; F1313-F1385 VanDerWaalsContact CD1-CE2 3.45Å; F1313-F1385 AromaticContact CD1-CZ 3.88Å; F1313-F1385 HydrophobicContact CD1-CZ 3.88Å; F1313-F1385 HydrophobicContact CE1-CD2 4.4Å; F1313-F1385 HydrophobicContact CE1-CE2 4.1Å; F1313-F1385 AromaticContact CG-CE2 3.78Å; F1313-F1385 HydrophobicContact CG-CE2 3.78Å; F1313-F1385 HydrophobicContact CG-CZ 4.16Å; F1313-F1385 WeakPolarHBondContact O-CZ 3.47Å; M1316-F1385 HydrophobicContact CB-CD1 4.3Å; M1316-F1385 HydrophobicContact CB-CE1 3.51Å; M1316-F1385 HydrophobicContact CB-CZ 4.03Å; M1316-F1385 HydrophobicContact CE-CD1 3.82Å; M1316-F1385 HydrophobicContact CE-CE1 4.05Å; M1316-F1385 HydrophobicContact CE-CG 4.25Å; E1317-F1385 HydrophobicContact CG-CE1 3.84Å; E1317-F1385 HydrophobicContact CG-CZ 3.69Å; R1380-F1385 HydrophobicContact CG-CE2 4.27Å; L1381-F1385 HydrophobicContact CD2-CB 4.47Å; L1381-F1385 HydrophobicContact CD2-CD2 4.38Å; L1381-F1385 CarbonylContact O-C 3.58Å; L1381-F1385 WeakPolarHBondContact O-CA 3.26Å; L1381-F1385 WeakPolarHBondContact O-CB 3.47Å; L1381-F1385 PolarHBondContact O-N 3.2Å; F1385-W1387 AromaticContact CD1-CZ2 3.91Å; F1385-W1387 HydrophobicContact CD1-CZ2 3.91Å; F1385-W1387 PolarHBondContact O-N 2.63Å; F1385-L1388 HydrophobicContact CB-CD1 3.76Å; F1385-L1388 HydrophobicContact CB-CG 4.25Å; F1385-L1388 HydrophobicContact CG-CD1 4.48Å; F1385-L1388 VanDerWaalsContact O-CB 3.29Å; F1385-L1388 WeakPolarHBondContact O-CB 3.49Å; F1385-L1388 WeakPolarHBondContact O-CG 3.48Å; F1385-L1388 PolarHBondContact O-N 3.13Å; F1385-Y1403 HydrophobicContact CB-CE2 4.22Å; F1385-Y1403 PolarHBondContact O-OH 3.39Å |
| 1386 | S | 77.8 | Confident | 77.8 | Confident | 69 Ų | 69 | 48.8 Ų | 48.8 | 48% | 0.483 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -56.1 | -30.4 | 176 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | K1382 L1388 N1389 | K1382-S1386 WeakPolarHBondContact O-CB 3.43Å; S1386-L1388 PolarHBondContact O-N 3.1Å; S1386-L1388 VanDerWaalsContact O-N 3.15Å; S1386-N1389 WeakPolarHBondContact O-CB 3.33Å; S1386-N1389 PolarHBondContact O-N 3.36Å |
| 1387 | W | 81.4 | Confident | 77.4 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 11% | 0.106 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -60.7 | -19.3 | 175.6 | 60.4 | -97.4 | 0 | 0 | 0 | 113.7 | H1320 W1328 L1336 S1384 F1385 N1389 D1390 Y1393 I1394 | H1320-W1387 HydrophobicContact CB-CH2 4.11Å; H1320-W1387 HydrophobicContact CB-CZ2 3.77Å; H1320-W1387 AromaticContact CE1-CD2 3.74Å; H1320-W1387 AromaticContact CE1-CE2 3.79Å; H1320-W1387 AromaticContact CG-CE2 3.94Å; H1320-W1387 AromaticContact CG-CZ2 3.72Å; H1320-W1387 AromaticContact ND1-CD2 3.6Å; H1320-W1387 AromaticContact ND1-CE2 3.36Å; H1320-W1387 AromaticContact ND1-CE3 3.77Å; H1320-W1387 AromaticContact ND1-CH2 3.54Å; H1320-W1387 AromaticContact ND1-CZ2 3.35Å; H1320-W1387 VanDerWaalsContact ND1-CZ2 3.35Å; H1320-W1387 WeakPolarHBondContact ND1-CZ2 3.22Å; H1320-W1387 AromaticContact ND1-CZ3 3.74Å; H1320-W1387 AromaticContact ND1-NE1 3.94Å; W1328-W1387 AromaticContact CH2-CH2 3.99Å; W1328-W1387 HydrophobicContact CH2-CH2 3.99Å; W1328-W1387 AromaticContact CH2-CZ3 3.58Å; W1328-W1387 HydrophobicContact CH2-CZ3 3.58Å; W1328-W1387 HydrophobicContact CZ2-CE3 4.42Å; W1328-W1387 HydrophobicContact CZ2-CH2 4.36Å; W1328-W1387 AromaticContact CZ2-CZ3 3.68Å; W1328-W1387 HydrophobicContact CZ2-CZ3 3.68Å; L1336-W1387 HydrophobicContact CD1-CH2 4.29Å; L1336-W1387 HydrophobicContact CD2-CH2 4.18Å; L1336-W1387 HydrophobicContact CD2-CZ3 4.14Å; S1384-W1387 PolarHBondContact O-NE1 3.27Å; S1384-W1387 VanDerWaalsContact O-NE1 3.11Å; F1385-W1387 AromaticContact CD1-CZ2 3.91Å; F1385-W1387 HydrophobicContact CD1-CZ2 3.91Å; F1385-W1387 PolarHBondContact O-N 2.63Å; W1387-N1389 PolarHBondContact O-N 3.47Å; W1387-D1390 PolarHBondContact O-N 2.96Å; W1387-D1390 VanDerWaalsContact O-N 3.09Å; W1387-Y1393 HydrophobicContact CB-CD2 4.4Å; W1387-I1394 HydrophobicContact CE3-CG1 4.32Å; W1387-I1394 HydrophobicContact CZ3-CD1 4.04Å; W1387-I1394 HydrophobicContact CZ3-CG1 4.25Å |
| 1388 | L | 81.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -61.9 | -25.3 | 173.4 | -70.9 | 174.4 | 0 | 0 | 0 | 112.9 | M1316 L1336 L1340 F1385 S1386 I1394 I1399 Y1403 | M1316-L1388 HydrophobicContact CE-CD1 3.59Å; L1336-L1388 HydrophobicContact CD1-CD2 3.85Å; L1336-L1388 HydrophobicContact CD2-CD2 3.22Å; L1336-L1388 HydrophobicContact CG-CD2 3.84Å; L1340-L1388 HydrophobicContact CD1-CD1 4.44Å; L1340-L1388 HydrophobicContact CD2-CD1 4.19Å; F1385-L1388 HydrophobicContact CB-CD1 3.76Å; F1385-L1388 HydrophobicContact CB-CG 4.25Å; F1385-L1388 HydrophobicContact CG-CD1 4.48Å; F1385-L1388 VanDerWaalsContact O-CB 3.29Å; F1385-L1388 WeakPolarHBondContact O-CB 3.49Å; F1385-L1388 WeakPolarHBondContact O-CG 3.48Å; F1385-L1388 PolarHBondContact O-N 3.13Å; S1386-L1388 PolarHBondContact O-N 3.1Å; S1386-L1388 VanDerWaalsContact O-N 3.15Å; L1388-I1394 HydrophobicContact CD2-CG1 4.3Å; L1388-I1399 HydrophobicContact CD2-CG2 4.4Å; L1388-Y1403 HydrophobicContact CB-CD1 4.26Å; L1388-Y1403 HydrophobicContact CB-CD2 4Å; L1388-Y1403 HydrophobicContact CB-CE2 4.27Å; L1388-Y1403 HydrophobicContact CB-CG 3.98Å; L1388-Y1403 HydrophobicContact CD1-CD2 3.49Å; L1388-Y1403 VanDerWaalsContact CD1-CD2 3.49Å; L1388-Y1403 HydrophobicContact CD1-CE2 3.84Å; L1388-Y1403 HydrophobicContact CD1-CG 4.2Å; L1388-Y1403 HydrophobicContact CG-CD2 4.39Å |
| 1389 | N | 71.2 | Confident | 77.2 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -17.9 | 176.7 | -172.1 | 51.3 | 0 | 0 | 0 | 112.8 | S1386 W1387 S1391 Y1403 Y1428 | S1386-N1389 WeakPolarHBondContact O-CB 3.33Å; S1386-N1389 PolarHBondContact O-N 3.36Å; W1387-N1389 PolarHBondContact O-N 3.47Å; N1389-S1391 PolarHBondContact O-N 3.42Å; N1389-Y1403 HydrophobicContact CB-CD1 4.12Å; N1389-Y1403 HydrophobicContact CB-CE1 3.94Å; N1389-Y1428 VanDerWaalsContact CG-CD2 3.47Å; N1389-Y1428 VanDerWaalsContact CG-CE2 3.43Å; N1389-Y1428 WeakPolarHBondContact ND2-CD2 3.3Å; N1389-Y1428 WeakPolarHBondContact ND2-CE2 3.21Å; N1389-Y1428 WeakPolarHBondContact OD1-CD2 3.18Å; N1389-Y1428 WeakPolarHBondContact OD1-CE2 3.44Å |
| 1390 | D | 69.5 | Low | 77 | Confident | 71 Ų | 71 | 49 Ų | 49 | 38% | 0.38 | 27% | 0.273 | S | S | . | . | trans | -70.8 | 124.5 | 177.2 | -173 | -13.1 | 0 | 0 | 0 | 110.3 | W1387 A1392 Y1393 I1394 | W1387-D1390 PolarHBondContact O-N 2.96Å; W1387-D1390 VanDerWaalsContact O-N 3.09Å; D1390-A1392 VanDerWaalsContact C-N 3.26Å; D1390-A1392 PolarHBondContact O-N 3.03Å; D1390-A1392 WeakPolarHBondContact OD1-CB 3.46Å; D1390-A1392 PolarHBondContact OD1-N 2.9Å; D1390-Y1393 HydrophobicContact CB-CD2 3.79Å; D1390-Y1393 HydrophobicContact CB-CE2 4.48Å; D1390-Y1393 PolarHBondContact O-N 3.26Å; D1390-Y1393 VanDerWaalsContact O-N 3.16Å; D1390-Y1393 WeakPolarHBondContact OD2-CD2 3.49Å; D1390-Y1393 VanDerWaalsContact OD2-CE2 3.29Å; D1390-Y1393 WeakPolarHBondContact OD2-CE2 3.39Å; D1390-I1394 PolarHBondContact O-N 3.39Å | ||
| 1391 | S | 67.7 | Low | 76.3 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -8.4 | -176.4 | -57.8 | 0 | 0 | 0 | 0 | 114.5 | N1389 Y1393 K1400 K1425 | N1389-S1391 PolarHBondContact O-N 3.42Å; S1391-Y1393 VanDerWaalsContact C-N 3.33Å; S1391-K1400 PolarHBondContact OG-NZ 3.22Å; S1391-K1425 VanDerWaalsContact OG-CD 3.32Å; S1391-K1425 WeakPolarHBondContact OG-CD 3.47Å |
| 1392 | A | 66.8 | Low | 76 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 70% | 0.702 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -30 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1390 | D1390-A1392 VanDerWaalsContact C-N 3.26Å; D1390-A1392 PolarHBondContact O-N 3.03Å; D1390-A1392 WeakPolarHBondContact OD1-CB 3.46Å; D1390-A1392 PolarHBondContact OD1-N 2.9Å |
| 1393 | Y | 68.9 | Low | 76.2 | Confident | 119 Ų | 119 | 49.5 Ų | 49.5 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -46.6 | -176.3 | -62.6 | -89.4 | 0 | 0 | 0 | 113 | W1328 W1387 D1390 S1391 | W1328-Y1393 PolarHBondContact NE1-O 3.44Å; W1387-Y1393 HydrophobicContact CB-CD2 4.4Å; D1390-Y1393 HydrophobicContact CB-CD2 3.79Å; D1390-Y1393 HydrophobicContact CB-CE2 4.48Å; D1390-Y1393 PolarHBondContact O-N 3.26Å; D1390-Y1393 VanDerWaalsContact O-N 3.16Å; D1390-Y1393 WeakPolarHBondContact OD2-CD2 3.49Å; D1390-Y1393 VanDerWaalsContact OD2-CE2 3.29Å; D1390-Y1393 WeakPolarHBondContact OD2-CE2 3.39Å; S1391-Y1393 VanDerWaalsContact C-N 3.33Å |
| 1394 | I | 73.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -111.6 | 117.9 | 179.6 | -61.4 | -58.6 | 0 | 0 | 0 | 110.2 | W1328 L1333 L1336 W1387 L1388 D1390 C1396 I1399 K1400 | W1328-I1394 HydrophobicContact CD2-CD1 4.36Å; W1328-I1394 HydrophobicContact CE3-CD1 4.14Å; W1328-I1394 HydrophobicContact CH2-CD1 3.6Å; W1328-I1394 HydrophobicContact CZ2-CD1 3.81Å; W1328-I1394 HydrophobicContact CZ3-CD1 3.76Å; L1333-I1394 HydrophobicContact CD2-CD1 3.89Å; L1336-I1394 HydrophobicContact CD2-CD1 3.74Å; W1387-I1394 HydrophobicContact CE3-CG1 4.32Å; W1387-I1394 HydrophobicContact CZ3-CD1 4.04Å; W1387-I1394 HydrophobicContact CZ3-CG1 4.25Å; L1388-I1394 HydrophobicContact CD2-CG1 4.3Å; D1390-I1394 PolarHBondContact O-N 3.39Å; I1394-C1396 HydrophobicContact CG2-CB 4.38Å; I1394-I1399 HydrophobicContact CG2-CB 4.16Å; I1394-I1399 HydrophobicContact CG2-CG2 4.02Å; I1394-K1400 HydrophobicContact CG2-CG 4.13Å; I1394-K1400 WeakPolarHBondContact O-CE 3.45Å; I1394-K1400 PolarHBondContact O-NZ 3.4Å | ||
| 1395 | T | 69.8 | Low | 75 | Confident | 106 Ų | 106 | 45.6 Ų | 45.6 | 65% | 0.65 | 25% | 0.249 | S | C | * | . | trans | -94 | -18.2 | 172.2 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | T1397 | T1395-T1397 PolarHBondContact O-N 3.35Š| ||
| 1396 | C | 76.9 | Confident | 74.5 | Confident | 37 Ų | 37 | 45.6 Ų | 45.6 | 25% | 0.25 | 25% | 0.249 | C | C | . | . | trans | -75 | 116.8 | -178.2 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | L1333 I1394 I1399 K1400 | L1333-C1396 HydrophobicContact CD1-CB 4.29Å; L1333-C1396 HydrophobicContact CD2-CB 4.42Å; I1394-C1396 HydrophobicContact CG2-CB 4.38Å; C1396-I1399 HydrophobicContact CB-CB 4.42Å; C1396-I1399 HydrophobicContact CB-CD1 3.99Å; C1396-I1399 HydrophobicContact CB-CG1 4.22Å; C1396-I1399 PolarHBondContact O-N 2.89Å; C1396-K1400 PolarHBondContact O-N 3.37Å | ||
| 1397 | T | 71.7 | Confident | 74.2 | Confident | 49 Ų | 49 | 43 Ų | 43 | 30% | 0.301 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.2 | -37.2 | -175.5 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | T1395 I1399 K1400 Q1401 E1427 | T1395-T1397 PolarHBondContact O-N 3.35Å; T1397-I1399 VanDerWaalsContact C-N 3.31Å; T1397-I1399 PolarHBondContact O-N 3.15Å; T1397-K1400 PolarHBondContact O-N 2.98Å; T1397-Q1401 WeakPolarHBondContact O-CB 3.37Å; T1397-Q1401 WeakPolarHBondContact O-CG 3.43Å; T1397-Q1401 PolarHBondContact O-N 2.89Å; T1397-E1427 VanDerWaalsContact CG2-OE1 3.3Å; T1397-E1427 WeakPolarHBondContact CG2-OE1 3.34Å; T1397-E1427 WeakPolarHBondContact CG2-OE2 3.35Å |
| 1398 | I | 77.8 | Confident | 73.1 | Confident | 77 Ų | 77 | 43.1 Ų | 43.1 | 40% | 0.395 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -40.4 | 178.5 | -61.8 | 172 | 0 | 0 | 0 | 111.4 | I1286 H1337 L1402 | I1286-I1398 HydrophobicContact CD1-CD1 4.46Å; H1337-I1398 WeakPolarHBondContact NE2-CG2 3.5Å; I1398-L1402 WeakPolarHBondContact O-CB 3.22Å; I1398-L1402 PolarHBondContact O-N 3.35Å |
| 1399 | I | 83.4 | Confident | 71.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 177.8 | -69.2 | 177.5 | 0 | 0 | 0 | 110.4 | L1333 L1336 H1337 L1340 L1388 I1394 C1396 T1397 Q1401 L1402 Y1403 | L1333-I1399 HydrophobicContact CB-CD1 3.98Å; L1333-I1399 HydrophobicContact CD2-CD1 3.86Å; L1333-I1399 WeakPolarHBondContact O-CD1 3.39Å; L1336-I1399 HydrophobicContact CB-CD1 4.45Å; L1336-I1399 HydrophobicContact CD2-CD1 4.3Å; L1336-I1399 HydrophobicContact CD2-CG2 4.16Å; H1337-I1399 HydrophobicContact CB-CD1 4.13Å; H1337-I1399 HydrophobicContact CB-CG1 3.79Å; L1340-I1399 HydrophobicContact CD1-CG2 3.74Å; L1388-I1399 HydrophobicContact CD2-CG2 4.4Å; I1394-I1399 HydrophobicContact CG2-CB 4.16Å; I1394-I1399 HydrophobicContact CG2-CG2 4.02Å; C1396-I1399 HydrophobicContact CB-CB 4.42Å; C1396-I1399 HydrophobicContact CB-CD1 3.99Å; C1396-I1399 HydrophobicContact CB-CG1 4.22Å; C1396-I1399 PolarHBondContact O-N 2.89Å; T1397-I1399 VanDerWaalsContact C-N 3.31Å; T1397-I1399 PolarHBondContact O-N 3.15Å; I1399-Q1401 PolarHBondContact O-N 2.87Å; I1399-L1402 PolarHBondContact O-N 3.48Å; I1399-Y1403 WeakPolarHBondContact O-CB 3.35Å; I1399-Y1403 PolarHBondContact O-N 2.93Å |
| 1400 | K | 77 | Confident | 70.8 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 177.7 | -68.9 | -179.9 | 178.4 | 164.1 | 0 | 111.8 | S1391 I1394 C1396 T1397 L1402 Y1403 M1404 | S1391-K1400 PolarHBondContact OG-NZ 3.22Å; I1394-K1400 HydrophobicContact CG2-CG 4.13Å; I1394-K1400 WeakPolarHBondContact O-CE 3.45Å; I1394-K1400 PolarHBondContact O-NZ 3.4Å; C1396-K1400 PolarHBondContact O-N 3.37Å; T1397-K1400 PolarHBondContact O-N 2.98Å; K1400-L1402 VanDerWaalsContact C-N 3.34Å; K1400-L1402 PolarHBondContact O-N 3.32Å; K1400-Y1403 PolarHBondContact O-N 3.26Å; K1400-M1404 WeakPolarHBondContact O-CB 3.41Å; K1400-M1404 WeakPolarHBondContact O-CG 3.42Å; K1400-M1404 PolarHBondContact O-N 3.41Å |
| 1401 | Q | 70.6 | Confident | 69.5 | Low | 111 Ų | 111 | 47.2 Ų | 47.2 | 52% | 0.519 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 176.9 | -74.8 | 179 | -9.2 | 0 | 0 | 111.5 | T1397 I1399 K1405 | T1397-Q1401 WeakPolarHBondContact O-CB 3.37Å; T1397-Q1401 WeakPolarHBondContact O-CG 3.43Å; T1397-Q1401 PolarHBondContact O-N 2.89Å; I1399-Q1401 PolarHBondContact O-N 2.87Å; Q1401-K1405 VanDerWaalsContact O-CB 3.23Å; Q1401-K1405 WeakPolarHBondContact O-CB 3.42Å; Q1401-K1405 PolarHBondContact O-N 3.34Å |
| 1402 | L | 79.6 | Confident | 68.1 | Low | 17 Ų | 17 | 52.8 Ų | 52.8 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 178.7 | -176.9 | 60.3 | 0 | 0 | 0 | 112.4 | L1340 L1341 Y1344 I1398 I1399 K1400 K1405 I1406 | L1340-L1402 HydrophobicContact CB-CD2 3.56Å; L1340-L1402 HydrophobicContact CB-CG 4.06Å; L1341-L1402 HydrophobicContact CB-CD2 4.39Å; L1341-L1402 HydrophobicContact CD2-CD1 4.3Å; L1341-L1402 HydrophobicContact CD2-CD2 3.7Å; L1341-L1402 HydrophobicContact CG-CD2 3.67Å; Y1344-L1402 HydrophobicContact CD2-CD1 4.13Å; Y1344-L1402 HydrophobicContact CG-CD1 4.12Å; I1398-L1402 WeakPolarHBondContact O-CB 3.22Å; I1398-L1402 PolarHBondContact O-N 3.35Å; I1399-L1402 PolarHBondContact O-N 3.48Å; K1400-L1402 VanDerWaalsContact C-N 3.34Å; K1400-L1402 PolarHBondContact O-N 3.32Å; L1402-K1405 WeakPolarHBondContact O-CB 3.5Å; L1402-K1405 PolarHBondContact O-N 2.6Å; L1402-I1406 HydrophobicContact CG-CD1 4.34Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.41Å; L1402-I1406 PolarHBondContact O-N 3.35Å |
| 1403 | Y | 83.6 | Confident | 66.5 | Low | 6 Ų | 6 | 55.4 Ų | 55.4 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 174.4 | 172 | -103.6 | 0 | 0 | 0 | 111.3 | L1381 F1385 L1388 N1389 I1399 K1400 K1405 I1406 L1407 | L1381-Y1403 HydrophobicContact CB-CE2 4.21Å; L1381-Y1403 HydrophobicContact CD2-CD2 4.1Å; L1381-Y1403 HydrophobicContact CD2-CE2 3.86Å; L1381-Y1403 PolarHBondContact O-OH 2.66Å; F1385-Y1403 HydrophobicContact CB-CE2 4.22Å; F1385-Y1403 PolarHBondContact O-OH 3.39Å; L1388-Y1403 HydrophobicContact CB-CD1 4.26Å; L1388-Y1403 HydrophobicContact CB-CD2 4Å; L1388-Y1403 HydrophobicContact CB-CE2 4.27Å; L1388-Y1403 HydrophobicContact CB-CG 3.98Å; L1388-Y1403 HydrophobicContact CD1-CD2 3.49Å; L1388-Y1403 VanDerWaalsContact CD1-CD2 3.49Å; L1388-Y1403 HydrophobicContact CD1-CE2 3.84Å; L1388-Y1403 HydrophobicContact CD1-CG 4.2Å; L1388-Y1403 HydrophobicContact CG-CD2 4.39Å; N1389-Y1403 HydrophobicContact CB-CD1 4.12Å; N1389-Y1403 HydrophobicContact CB-CE1 3.94Å; I1399-Y1403 WeakPolarHBondContact O-CB 3.35Å; I1399-Y1403 PolarHBondContact O-N 2.93Å; K1400-Y1403 PolarHBondContact O-N 3.26Å; Y1403-K1405 VanDerWaalsContact C-N 3.31Å; Y1403-K1405 PolarHBondContact O-N 3.18Å; Y1403-I1406 PolarHBondContact O-N 2.82Å; Y1403-L1407 HydrophobicContact CD1-CD1 4.06Å; Y1403-L1407 HydrophobicContact CE1-CD1 3.37Å; Y1403-L1407 HydrophobicContact CE1-CG 4.22Å; Y1403-L1407 HydrophobicContact CE2-CD1 4.23Å; Y1403-L1407 HydrophobicContact CE2-CG 4.35Å; Y1403-L1407 VanDerWaalsContact CZ-CD1 3.49Å; Y1403-L1407 PolarHBondContact O-N 3.03Å |
| 1404 | M | 70.5 | Confident | 64.7 | Low | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 176.2 | -72.6 | -58.1 | -74.1 | 0 | 0 | 112.2 | K1400 L1407 N1408 Y1428 T1431 | K1400-M1404 WeakPolarHBondContact O-CB 3.41Å; K1400-M1404 WeakPolarHBondContact O-CG 3.42Å; K1400-M1404 PolarHBondContact O-N 3.41Å; M1404-L1407 PolarHBondContact O-N 3.26Å; M1404-L1407 HydrophobicContact SD-CD1 4.16Å; M1404-N1408 WeakPolarHBondContact CE-ND2 3.38Å; M1404-N1408 WeakPolarHBondContact O-CB 3.34Å; M1404-N1408 PolarHBondContact O-N 3.04Å; M1404-N1408 PolarHBondContact O-ND2 3.34Å; M1404-Y1428 HydrophobicContact CE-CD2 4.3Å; M1404-Y1428 HydrophobicContact CE-CE2 3.47Å; M1404-Y1428 VanDerWaalsContact CE-CE2 3.47Å; M1404-Y1428 HydrophobicContact CG-CE2 4.38Å; M1404-Y1428 HydrophobicContact SD-CD2 4.44Å; M1404-Y1428 HydrophobicContact SD-CE2 3.68Å; M1404-T1431 HydrophobicContact CB-CG2 4.03Å |
| 1405 | K | 69 | Low | 62.9 | Low | 109 Ų | 109 | 55 Ų | 55 | 47% | 0.474 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 174.3 | -169.2 | 178.5 | -174.5 | -173.7 | 0 | 110.9 | Y1344 Q1401 L1402 Y1403 C1409 | Y1344-K1405 HydrophobicContact CE2-CD 3.77Å; Y1344-K1405 HydrophobicContact CE2-CG 4.07Å; Y1344-K1405 VanDerWaalsContact OH-CE 3.32Å; Y1344-K1405 WeakPolarHBondContact OH-CE 3.48Å; Y1344-K1405 PolarHBondContact OH-NZ 2.72Å; Q1401-K1405 VanDerWaalsContact O-CB 3.23Å; Q1401-K1405 WeakPolarHBondContact O-CB 3.42Å; Q1401-K1405 PolarHBondContact O-N 3.34Å; L1402-K1405 WeakPolarHBondContact O-CB 3.5Å; L1402-K1405 PolarHBondContact O-N 2.6Å; Y1403-K1405 VanDerWaalsContact C-N 3.31Å; Y1403-K1405 PolarHBondContact O-N 3.18Å; K1405-C1409 PolarHBondContact O-N 3.27Å; K1405-C1409 PolarHBondContact O-SG 3.41Å |
| 1406 | I | 76.8 | Confident | 61.2 | Low | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 177.3 | -62.9 | 161.3 | 0 | 0 | 0 | 111.2 | L1340 I1343 Y1344 I1347 I1378 L1381 L1402 Y1403 | L1340-I1406 HydrophobicContact CB-CD1 4.37Å; L1340-I1406 HydrophobicContact CD2-CD1 4.02Å; I1343-I1406 HydrophobicContact CG2-CD1 4.39Å; Y1344-I1406 HydrophobicContact CD2-CG1 3.88Å; Y1344-I1406 HydrophobicContact CG-CG1 4.47Å; I1347-I1406 HydrophobicContact CD1-CG2 4.02Å; I1378-I1406 HydrophobicContact CD1-CG2 4.47Å; I1378-I1406 WeakPolarHBondContact CD1-O 3.46Å; L1381-I1406 HydrophobicContact CD1-CG2 3.5Å; L1402-I1406 HydrophobicContact CG-CD1 4.34Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.41Å; L1402-I1406 PolarHBondContact O-N 3.35Å; Y1403-I1406 PolarHBondContact O-N 2.82Å |
| 1407 | L | 71.3 | Confident | 59.2 | Low | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | -179.5 | -78.2 | -176.3 | 0 | 0 | 0 | 114 | I1378 L1381 K1382 Y1403 M1404 I1415 | I1378-L1407 HydrophobicContact CG2-CD2 4.12Å; L1381-L1407 HydrophobicContact CB-CD2 3.75Å; K1382-L1407 HydrophobicContact CG-CD2 3.76Å; Y1403-L1407 HydrophobicContact CD1-CD1 4.06Å; Y1403-L1407 HydrophobicContact CE1-CD1 3.37Å; Y1403-L1407 HydrophobicContact CE1-CG 4.22Å; Y1403-L1407 HydrophobicContact CE2-CD1 4.23Å; Y1403-L1407 HydrophobicContact CE2-CG 4.35Å; Y1403-L1407 VanDerWaalsContact CZ-CD1 3.49Å; Y1403-L1407 PolarHBondContact O-N 3.03Å; M1404-L1407 PolarHBondContact O-N 3.26Å; M1404-L1407 HydrophobicContact SD-CD1 4.16Å; L1407-I1415 VanDerWaalsContact O-CD1 3.24Å; L1407-I1415 WeakPolarHBondContact O-CD1 3.36Å |
| 1408 | N | 58.5 | Low | 57.3 | Low | 30 Ų | 30 | 64.9 Ų | 64.9 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -97.4 | 1.2 | -172.3 | -65.6 | -66.2 | 0 | 0 | 0 | 114 | M1404 H1410 I1435 | M1404-N1408 WeakPolarHBondContact CE-ND2 3.38Å; M1404-N1408 WeakPolarHBondContact O-CB 3.34Å; M1404-N1408 PolarHBondContact O-N 3.04Å; M1404-N1408 PolarHBondContact O-ND2 3.34Å; N1408-H1410 PolarHBondContact O-N 2.93Å; N1408-I1435 HydrophobicContact CB-CD1 3.62Å; N1408-I1435 HydrophobicContact CB-CG1 4.07Å; N1408-I1435 HydrophobicContact CB-CG2 4.22Å; N1408-I1435 WeakPolarHBondContact ND2-CD1 3.21Å |
| 1409 | C | 56 | Low | 55.1 | Low | 30 Ų | 30 | 66.1 Ų | 66.1 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -63.5 | 131.6 | 168.6 | -80.8 | 0 | 0 | 0 | 0 | 109.9 | Y1348 Y1374 K1405 | Y1348-C1409 HydrophobicContact CE1-CB 3.54Å; Y1348-C1409 VanDerWaalsContact CE1-SG 3.56Å; Y1348-C1409 HydrophobicContact CE2-CB 4.35Å; Y1348-C1409 WeakPolarHBondContact OH-CB 3.4Å; Y1348-C1409 PolarHBondContact OH-SG 3.46Å; Y1348-C1409 VanDerWaalsContact OH-SG 3.4Å; Y1374-C1409 PolarHBondContact OH-O 3.01Å; K1405-C1409 PolarHBondContact O-N 3.27Å; K1405-C1409 PolarHBondContact O-SG 3.41Å |
| 1410 | H | 47.8 | Very low | 52.8 | Low | 113 Ų | 113 | 73 Ų | 73 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | trans | -70.4 | 137.9 | -164.5 | -67.3 | -78.1 | 0 | 0 | 0 | 113.4 | N1408 | N1408-H1410 PolarHBondContact O-N 2.93Š| ||
| 1411 | Y | 43.2 | Very low | 50.8 | Low | 41 Ų | 41 | 76.7 Ų | 76.7 | 16% | 0.161 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -125.2 | 58 | 157 | -146.9 | -64.4 | 0 | 0 | 0 | 108.1 | I1366 K1371 Y1374 Q1413 | I1366-Y1411 HydrophobicContact CD1-CE1 4.32Å; I1366-Y1411 WeakPolarHBondContact CG2-OH 3.49Å; K1371-Y1411 WeakPolarHBondContact CA-OH 3.24Å; K1371-Y1411 HydrophobicContact CB-CE1 3.55Å; K1371-Y1411 HydrophobicContact CB-CE2 4.28Å; K1371-Y1411 WeakPolarHBondContact CB-OH 3.46Å; K1371-Y1411 HydrophobicContact CD-CD1 3.8Å; K1371-Y1411 HydrophobicContact CD-CE1 3.29Å; K1371-Y1411 VanDerWaalsContact CE-CD1 3.43Å; K1371-Y1411 HydrophobicContact CG-CD1 3.72Å; K1371-Y1411 HydrophobicContact CG-CE1 3.17Å; K1371-Y1411 HydrophobicContact CG-CE2 4.35Å; K1371-Y1411 PolarHBondContact N-OH 3.1Å; K1371-Y1411 VanDerWaalsContact N-OH 3.1Å; Y1374-Y1411 AromaticContact CD1-CD2 3.11Å; Y1374-Y1411 HydrophobicContact CD1-CD2 3.11Å; Y1374-Y1411 AromaticContact CD1-CE2 3.89Å; Y1374-Y1411 HydrophobicContact CD1-CE2 3.89Å; Y1374-Y1411 AromaticContact CD1-CG 3.82Å; Y1374-Y1411 HydrophobicContact CD1-CG 3.82Å; Y1374-Y1411 HydrophobicContact CD2-CD2 4.18Å; Y1374-Y1411 AromaticContact CE1-CD2 3.61Å; Y1374-Y1411 HydrophobicContact CE1-CD2 3.61Å; Y1374-Y1411 HydrophobicContact CE1-CG 4.09Å; Y1374-Y1411 AromaticContact CG-CD2 3.42Å; Y1374-Y1411 HydrophobicContact CG-CD2 3.42Å; Y1374-Y1411 VanDerWaalsContact CG-CD2 3.42Å; Y1374-Y1411 AromaticContact CG-CE2 3.76Å; Y1374-Y1411 HydrophobicContact CG-CE2 3.76Å; Y1411-Q1413 PolarHBondContact O-N 3.15Å |
| 1412 | D | 38.3 | Very low | 48.9 | Very low | 136 Ų | 136 | 79.1 Ų | 79.1 | 73% | 0.727 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 45.7 | 17.9 | -178.6 | -67.1 | -24.8 | 0 | 0 | 0 | 117.5 | ||
| 1413 | Q | 33.5 | Very low | 47 | Very low | 139 Ų | 139 | 83 Ų | 83 | 65% | 0.65 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -143.1 | 130.9 | 175.6 | -70.8 | -160 | -19.7 | 0 | 0 | 112.5 | Y1411 | Y1411-Q1413 PolarHBondContact O-N 3.15Š|
| 1414 | P | 31 | Very low | 45 | Very low | 62 Ų | 62 | 86.7 Ų | 86.7 | 40% | 0.403 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 138.7 | 171.6 | 26.5 | -29.9 | 0 | 0 | 0 | 111.3 | ||
| 1415 | I | 35.8 | Very low | 44 | Very low | 49 Ų | 49 | 92 Ų | 92 | 25% | 0.251 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 132.1 | -177.1 | -67.5 | 166.1 | 0 | 0 | 0 | 110.9 | L1407 I1417 | L1407-I1415 VanDerWaalsContact O-CD1 3.24Å; L1407-I1415 WeakPolarHBondContact O-CD1 3.36Å; I1415-I1417 HydrophobicContact CG2-CG1 3.99Å; I1415-I1417 PolarHBondContact O-N 3.4Å |
| 1416 | Q | 32.7 | Very low | 43.2 | Very low | 157 Ų | 157 | 90.8 Ų | 90.8 | 73% | 0.734 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 119.6 | 162.4 | -71.7 | 178.6 | -21.2 | 0 | 0 | 110.2 | ||
| 1417 | I | 34.3 | Very low | 42 | Very low | 64 Ų | 64 | 95.3 Ų | 95.3 | 33% | 0.328 | 49% | 0.49 | S | S | . | . | trans | -113.7 | 120.1 | 166.8 | -56.5 | -177.5 | 0 | 0 | 0 | 107.3 | I1415 T1419 | I1415-I1417 HydrophobicContact CG2-CG1 3.99Å; I1415-I1417 PolarHBondContact O-N 3.4Å; I1417-T1419 PolarHBondContact O-N 3.05Å | ||
| 1418 | E | 31.9 | Very low | 41 | Very low | 179 Ų | 179 | 96 Ų | 96 | 84% | 0.836 | 49% | 0.492 | S | S | * | . | trans | -67.9 | 121.6 | 174.4 | -69.2 | 179.8 | 157.6 | 0 | 0 | 110.1 | N1420 | E1418-N1420 VanDerWaalsContact C-N 3.25Å; E1418-N1420 PolarHBondContact O-N 2.82Å; E1418-N1420 VanDerWaalsContact O-N 3.15Å | ||
| 1419 | T | 33 | Very low | 40.9 | Very low | 103 Ų | 103 | 96 Ų | 96 | 63% | 0.632 | 49% | 0.492 | S | S | * | . | trans | -77.4 | 9.9 | -168.7 | 42.5 | 0 | 0 | 0 | 0 | 115.6 | I1417 V1421 | I1417-T1419 PolarHBondContact O-N 3.05Å; T1419-V1421 VanDerWaalsContact C-N 3.25Å; T1419-V1421 PolarHBondContact O-N 2.95Å; T1419-V1421 VanDerWaalsContact O-N 3.17Å | ||
| 1420 | N | 34.7 | Very low | 41.2 | Very low | 143 Ų | 143 | 96.6 Ų | 96.6 | 77% | 0.765 | 49% | 0.493 | S | S | * | . | trans | -80.8 | 9.6 | -171.8 | -75.4 | -7.4 | 0 | 0 | 0 | 115.5 | E1418 I1422 | E1418-N1420 VanDerWaalsContact C-N 3.25Å; E1418-N1420 PolarHBondContact O-N 2.82Å; E1418-N1420 VanDerWaalsContact O-N 3.15Å; N1420-I1422 PolarHBondContact O-N 3.34Å | ||
| 1421 | V | 34.1 | Very low | 41.8 | Very low | 100 Ų | 100 | 92.8 Ų | 92.8 | 61% | 0.606 | 48% | 0.477 | S | S | * | . | trans | -100.6 | 84.2 | 177.1 | -170 | 0 | 0 | 0 | 0 | 110.2 | T1419 S1423 | T1419-V1421 VanDerWaalsContact C-N 3.25Å; T1419-V1421 PolarHBondContact O-N 2.95Å; T1419-V1421 VanDerWaalsContact O-N 3.17Å; V1421-S1423 PolarHBondContact O-N 2.92Å | ||
| 1422 | I | 31.8 | Very low | 42.6 | Very low | 161 Ų | 161 | 92.7 Ų | 92.7 | 83% | 0.826 | 48% | 0.478 | S | S | * | . | trans | -80.8 | 38.3 | -170 | -61.1 | 165.5 | 0 | 0 | 0 | 113.2 | N1420 | N1420-I1422 PolarHBondContact O-N 3.34Š| ||
| 1423 | S | 39 | Very low | 43.8 | Very low | 100 Ų | 100 | 86.5 Ų | 86.5 | 70% | 0.699 | 45% | 0.445 | S | S | * | . | trans | -148.9 | 54.3 | 173.7 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | V1421 | V1421-S1423 PolarHBondContact O-N 2.92Š| ||
| 1424 | L | 42 | Very low | 45.4 | Very low | 82 Ų | 82 | 82.1 Ų | 82.1 | 43% | 0.429 | 43% | 0.426 | S | S | . | . | trans | -82.8 | 128.3 | -176.8 | -63.5 | 169.2 | 0 | 0 | 0 | 111.1 | Y1428 L1429 | L1424-Y1428 HydrophobicContact CB-CD1 4.17Å; L1424-Y1428 HydrophobicContact CD1-CD1 3.97Å; L1424-Y1428 HydrophobicContact CD1-CE1 3.93Å; L1424-Y1428 HydrophobicContact CD2-CD1 3.67Å; L1424-Y1428 HydrophobicContact CD2-CE1 3.77Å; L1424-Y1428 HydrophobicContact CD2-CG 4.44Å; L1424-Y1428 HydrophobicContact CG-CD1 4.14Å; L1424-Y1428 HydrophobicContact CG-CE1 4.39Å; L1424-L1429 HydrophobicContact CB-CD1 4.13Å; L1424-L1429 HydrophobicContact CB-CG 4.38Å | ||
| 1425 | K | 48.7 | Very low | 46.8 | Very low | 118 Ų | 118 | 80.6 Ų | 80.6 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | trans | -68.4 | 148.8 | 173.8 | -71.9 | -159.8 | -175.9 | 171.4 | 0 | 111 | S1391 E1427 Y1428 | S1391-K1425 VanDerWaalsContact OG-CD 3.32Å; S1391-K1425 WeakPolarHBondContact OG-CD 3.47Å; K1425-E1427 PolarHBondContact O-N 3.06Å; K1425-Y1428 WeakPolarHBondContact O-CB 3.26Å; K1425-Y1428 PolarHBondContact O-N 2.83Å | ||
| 1426 | Y | 52.6 | Low | 48.2 | Very low | 84 Ų | 84 | 79.4 Ų | 79.4 | 33% | 0.329 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -45.2 | -47.6 | -177.9 | -177.6 | -111.5 | 0 | 0 | 0 | 115.1 | Y1428 L1429 I1430 D1471 L1472 | Y1426-Y1428 VanDerWaalsContact C-N 3.3Å; Y1426-Y1428 PolarHBondContact O-N 3.32Å; Y1426-L1429 WeakPolarHBondContact O-CB 3.39Å; Y1426-L1429 PolarHBondContact O-N 3.02Å; Y1426-I1430 HydrophobicContact CD1-CD1 4.07Å; Y1426-I1430 HydrophobicContact CE1-CD1 3.57Å; Y1426-I1430 HydrophobicContact CE1-CG1 4.31Å; Y1426-I1430 WeakPolarHBondContact O-CG1 3.28Å; Y1426-I1430 PolarHBondContact O-N 3.36Å; Y1426-D1471 HydrophobicContact CE2-CB 3.48Å; Y1426-D1471 VanDerWaalsContact CE2-CB 3.48Å; Y1426-D1471 WeakPolarHBondContact OH-CA 3.39Å; Y1426-D1471 WeakPolarHBondContact OH-CB 3.3Å; Y1426-D1471 PolarHBondContact OH-O 2.72Å; Y1426-L1472 HydrophobicContact CD2-CD2 3.59Å; Y1426-L1472 HydrophobicContact CD2-CG 3.97Å; Y1426-L1472 HydrophobicContact CE2-CD2 3.39Å; Y1426-L1472 HydrophobicContact CE2-CG 3.68Å |
| 1427 | E | 51.1 | Low | 49.8 | Very low | 94 Ų | 94 | 72.2 Ų | 72.2 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.3 | -28.8 | -179.2 | -67.7 | -179.1 | 162.3 | 0 | 0 | 114.6 | T1397 K1425 T1431 | T1397-E1427 VanDerWaalsContact CG2-OE1 3.3Å; T1397-E1427 WeakPolarHBondContact CG2-OE1 3.34Å; T1397-E1427 WeakPolarHBondContact CG2-OE2 3.35Å; K1425-E1427 PolarHBondContact O-N 3.06Å; E1427-T1431 PolarHBondContact O-N 2.93Å; E1427-T1431 PolarHBondContact O-OG1 2.93Å; E1427-T1431 VanDerWaalsContact O-OG1 3.08Å |
| 1428 | Y | 51.5 | Low | 51.3 | Low | 32 Ų | 32 | 70.2 Ų | 70.2 | 13% | 0.125 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.9 | -45.3 | 175.9 | -179.4 | -101.6 | 0 | 0 | 0 | 110.8 | N1389 M1404 L1424 K1425 Y1426 I1430 T1431 H1432 | N1389-Y1428 VanDerWaalsContact CG-CD2 3.47Å; N1389-Y1428 VanDerWaalsContact CG-CE2 3.43Å; N1389-Y1428 WeakPolarHBondContact ND2-CD2 3.3Å; N1389-Y1428 WeakPolarHBondContact ND2-CE2 3.21Å; N1389-Y1428 WeakPolarHBondContact OD1-CD2 3.18Å; N1389-Y1428 WeakPolarHBondContact OD1-CE2 3.44Å; M1404-Y1428 HydrophobicContact CE-CD2 4.3Å; M1404-Y1428 HydrophobicContact CE-CE2 3.47Å; M1404-Y1428 VanDerWaalsContact CE-CE2 3.47Å; M1404-Y1428 HydrophobicContact CG-CE2 4.38Å; M1404-Y1428 HydrophobicContact SD-CD2 4.44Å; M1404-Y1428 HydrophobicContact SD-CE2 3.68Å; L1424-Y1428 HydrophobicContact CB-CD1 4.17Å; L1424-Y1428 HydrophobicContact CD1-CD1 3.97Å; L1424-Y1428 HydrophobicContact CD1-CE1 3.93Å; L1424-Y1428 HydrophobicContact CD2-CD1 3.67Å; L1424-Y1428 HydrophobicContact CD2-CE1 3.77Å; L1424-Y1428 HydrophobicContact CD2-CG 4.44Å; L1424-Y1428 HydrophobicContact CG-CD1 4.14Å; L1424-Y1428 HydrophobicContact CG-CE1 4.39Å; K1425-Y1428 WeakPolarHBondContact O-CB 3.26Å; K1425-Y1428 PolarHBondContact O-N 2.83Å; Y1426-Y1428 VanDerWaalsContact C-N 3.3Å; Y1426-Y1428 PolarHBondContact O-N 3.32Å; Y1428-I1430 VanDerWaalsContact C-N 3.27Å; Y1428-I1430 PolarHBondContact O-N 2.95Å; Y1428-T1431 PolarHBondContact O-N 3.1Å; Y1428-H1432 WeakPolarHBondContact O-CB 3.4Å; Y1428-H1432 PolarHBondContact O-N 3.46Å |
| 1429 | L | 57 | Low | 52.7 | Low | 28 Ų | 28 | 62.7 Ų | 62.7 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 176.4 | -79.7 | 142.6 | 0 | 0 | 0 | 111.4 | L1424 Y1426 T1431 H1432 I1433 W1463 L1472 | L1424-L1429 HydrophobicContact CB-CD1 4.13Å; L1424-L1429 HydrophobicContact CB-CG 4.38Å; Y1426-L1429 WeakPolarHBondContact O-CB 3.39Å; Y1426-L1429 PolarHBondContact O-N 3.02Å; L1429-T1431 PolarHBondContact O-N 3.11Å; L1429-H1432 PolarHBondContact O-N 3.38Å; L1429-I1433 VanDerWaalsContact O-CB 3.29Å; L1429-I1433 WeakPolarHBondContact O-CB 3.26Å; L1429-I1433 WeakPolarHBondContact O-CD1 3.49Å; L1429-I1433 WeakPolarHBondContact O-CG1 2.98Å; L1429-I1433 PolarHBondContact O-N 3.11Å; L1429-W1463 HydrophobicContact CD2-CH2 3.54Å; L1429-W1463 HydrophobicContact CD2-CZ2 3.22Å; L1429-W1463 HydrophobicContact CD2-CZ3 4.45Å; L1429-L1472 HydrophobicContact CB-CD1 4.28Å; L1429-L1472 HydrophobicContact CB-CD2 3.51Å; L1429-L1472 HydrophobicContact CD1-CD1 4.14Å; L1429-L1472 HydrophobicContact CD2-CD1 4.29Å; L1429-L1472 HydrophobicContact CG-CD1 4.49Å |
| 1430 | I | 62.1 | Low | 54.2 | Low | 44 Ų | 44 | 58 Ų | 58 | 23% | 0.226 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.1 | -51.8 | 174.4 | -65.1 | -173.9 | 0 | 0 | 0 | 111.6 | Y1426 Y1428 H1432 I1433 N1434 L1472 V1475 | Y1426-I1430 HydrophobicContact CD1-CD1 4.07Å; Y1426-I1430 HydrophobicContact CE1-CD1 3.57Å; Y1426-I1430 HydrophobicContact CE1-CG1 4.31Å; Y1426-I1430 WeakPolarHBondContact O-CG1 3.28Å; Y1426-I1430 PolarHBondContact O-N 3.36Å; Y1428-I1430 VanDerWaalsContact C-N 3.27Å; Y1428-I1430 PolarHBondContact O-N 2.95Å; I1430-H1432 VanDerWaalsContact C-N 3.34Å; I1430-H1432 PolarHBondContact O-N 3.11Å; I1430-I1433 PolarHBondContact O-N 3.35Å; I1430-N1434 VanDerWaalsContact O-CG 3.3Å; I1430-N1434 PolarHBondContact O-N 3.08Å; I1430-N1434 PolarHBondContact O-ND2 2.82Å; I1430-L1472 HydrophobicContact CG1-CD2 4.43Å; I1430-V1475 HydrophobicContact CB-CG1 4.1Å; I1430-V1475 HydrophobicContact CB-CG2 4.49Å; I1430-V1475 HydrophobicContact CD1-CG2 3.91Å; I1430-V1475 HydrophobicContact CG1-CB 4.44Å; I1430-V1475 HydrophobicContact CG1-CG1 4.27Å; I1430-V1475 HydrophobicContact CG1-CG2 3.83Å; I1430-V1475 HydrophobicContact CG2-CG1 3.62Å; I1430-V1475 HydrophobicContact CG2-CG2 4.19Å |
| 1431 | T | 60 | Low | 55.8 | Low | 32 Ų | 32 | 51.4 Ų | 51.4 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -44.3 | -176.4 | -44.3 | 0 | 0 | 0 | 0 | 110 | M1404 E1427 Y1428 L1429 N1434 I1435 | M1404-T1431 HydrophobicContact CB-CG2 4.03Å; E1427-T1431 PolarHBondContact O-N 2.93Å; E1427-T1431 PolarHBondContact O-OG1 2.93Å; E1427-T1431 VanDerWaalsContact O-OG1 3.08Å; Y1428-T1431 PolarHBondContact O-N 3.1Å; L1429-T1431 PolarHBondContact O-N 3.11Å; T1431-N1434 PolarHBondContact O-N 2.94Å; T1431-I1435 HydrophobicContact CG2-CD1 4.07Å; T1431-I1435 VanDerWaalsContact O-CD1 3.29Å; T1431-I1435 WeakPolarHBondContact O-CD1 3.5Å; T1431-I1435 WeakPolarHBondContact O-CG1 3.28Å; T1431-I1435 PolarHBondContact O-N 3.36Å; T1431-I1435 VanDerWaalsContact O-N 3.17Å |
| 1432 | H | 59.6 | Low | 57.2 | Low | 39 Ų | 39 | 51.2 Ų | 51.2 | 18% | 0.181 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 179 | -164.3 | 58.9 | 0 | 0 | 0 | 112.4 | Y1428 L1429 I1430 N1434 I1435 L1436 | Y1428-H1432 WeakPolarHBondContact O-CB 3.4Å; Y1428-H1432 PolarHBondContact O-N 3.46Å; L1429-H1432 PolarHBondContact O-N 3.38Å; I1430-H1432 VanDerWaalsContact C-N 3.34Å; I1430-H1432 PolarHBondContact O-N 3.11Å; H1432-N1434 VanDerWaalsContact C-N 3.31Å; H1432-N1434 PolarHBondContact O-N 3.05Å; H1432-I1435 PolarHBondContact O-N 3.3Å; H1432-L1436 WeakPolarHBondContact NE2-CD1 3.28Å; H1432-L1436 WeakPolarHBondContact O-CB 3.38Å; H1432-L1436 VanDerWaalsContact O-CG 3.25Å; H1432-L1436 WeakPolarHBondContact O-CG 3.08Å; H1432-L1436 PolarHBondContact O-N 2.58Å |
| 1433 | I | 64.6 | Low | 58.3 | Low | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.8 | -46.9 | 173.8 | -73.6 | 164.8 | 0 | 0 | 0 | 110.8 | L1429 I1430 I1435 L1436 I1437 W1463 M1467 L1472 V1475 A1476 | L1429-I1433 VanDerWaalsContact O-CB 3.29Å; L1429-I1433 WeakPolarHBondContact O-CB 3.26Å; L1429-I1433 WeakPolarHBondContact O-CD1 3.49Å; L1429-I1433 WeakPolarHBondContact O-CG1 2.98Å; L1429-I1433 PolarHBondContact O-N 3.11Å; I1430-I1433 PolarHBondContact O-N 3.35Å; I1433-I1435 VanDerWaalsContact C-N 3.35Å; I1433-I1435 PolarHBondContact O-N 3.49Å; I1433-L1436 PolarHBondContact O-N 2.93Å; I1433-I1437 HydrophobicContact CG2-CD1 3.57Å; I1433-I1437 WeakPolarHBondContact O-CD1 3.27Å; I1433-I1437 WeakPolarHBondContact O-CG1 3.39Å; I1433-I1437 PolarHBondContact O-N 3.26Å; I1433-W1463 HydrophobicContact CD1-CH2 3.8Å; I1433-W1463 HydrophobicContact CD1-CZ3 3.81Å; I1433-W1463 HydrophobicContact CG1-CH2 4.29Å; I1433-W1463 HydrophobicContact CG1-CZ3 3.88Å; I1433-M1467 HydrophobicContact CD1-CE 4.19Å; I1433-L1472 HydrophobicContact CD1-CB 4.02Å; I1433-L1472 HydrophobicContact CD1-CD2 3.92Å; I1433-V1475 HydrophobicContact CG2-CG1 4.22Å; I1433-A1476 HydrophobicContact CG2-CB 3.63Å |
| 1434 | N | 65.5 | Low | 58.8 | Low | 46 Ų | 46 | 45 Ų | 45 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | -177.8 | -73 | -20.8 | 0 | 0 | 0 | 111.8 | I1430 T1431 H1432 I1437 D1438 V1475 R1479 | I1430-N1434 VanDerWaalsContact O-CG 3.3Å; I1430-N1434 PolarHBondContact O-N 3.08Å; I1430-N1434 PolarHBondContact O-ND2 2.82Å; T1431-N1434 PolarHBondContact O-N 2.94Å; H1432-N1434 VanDerWaalsContact C-N 3.31Å; H1432-N1434 PolarHBondContact O-N 3.05Å; N1434-I1437 PolarHBondContact O-N 3.4Å; N1434-D1438 PolarHBondContact O-N 3.24Å; N1434-D1438 VanDerWaalsContact O-OD2 3.08Å; N1434-V1475 WeakPolarHBondContact OD1-CG1 3.45Å; N1434-R1479 HydrophobicContact CB-CG 4.16Å; N1434-R1479 VanDerWaalsContact OD1-CB 3.32Å; N1434-R1479 WeakPolarHBondContact OD1-CB 3.32Å |
| 1435 | I | 60.7 | Low | 58.9 | Low | 30 Ų | 30 | 48.7 Ų | 48.7 | 15% | 0.154 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 179 | -67.3 | 154 | 0 | 0 | 0 | 111 | N1408 T1431 H1432 I1433 I1437 D1438 C1439 | N1408-I1435 HydrophobicContact CB-CD1 3.62Å; N1408-I1435 HydrophobicContact CB-CG1 4.07Å; N1408-I1435 HydrophobicContact CB-CG2 4.22Å; N1408-I1435 WeakPolarHBondContact ND2-CD1 3.21Å; T1431-I1435 HydrophobicContact CG2-CD1 4.07Å; T1431-I1435 VanDerWaalsContact O-CD1 3.29Å; T1431-I1435 WeakPolarHBondContact O-CD1 3.5Å; T1431-I1435 WeakPolarHBondContact O-CG1 3.28Å; T1431-I1435 PolarHBondContact O-N 3.36Å; T1431-I1435 VanDerWaalsContact O-N 3.17Å; H1432-I1435 PolarHBondContact O-N 3.3Å; I1433-I1435 VanDerWaalsContact C-N 3.35Å; I1433-I1435 PolarHBondContact O-N 3.49Å; I1435-I1437 VanDerWaalsContact C-N 3.33Å; I1435-I1437 PolarHBondContact O-N 3.36Å; I1435-D1438 PolarHBondContact O-N 3.06Å; I1435-C1439 PolarHBondContact O-N 3.35Å; I1435-C1439 PolarHBondContact O-SG 3.23Å; I1435-C1439 VanDerWaalsContact O-SG 3.33Å |
| 1436 | L | 64.7 | Low | 58.4 | Low | 24 Ų | 24 | 50.2 Ų | 50.2 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | -179.3 | -74 | 176.4 | 0 | 0 | 0 | 112.7 | H1432 I1433 A1440 F1456 L1460 | H1432-L1436 WeakPolarHBondContact NE2-CD1 3.28Å; H1432-L1436 WeakPolarHBondContact O-CB 3.38Å; H1432-L1436 VanDerWaalsContact O-CG 3.25Å; H1432-L1436 WeakPolarHBondContact O-CG 3.08Å; H1432-L1436 PolarHBondContact O-N 2.58Å; I1433-L1436 PolarHBondContact O-N 2.93Å; L1436-A1440 WeakPolarHBondContact O-CB 3.32Å; L1436-A1440 PolarHBondContact O-N 2.95Å; L1436-F1456 HydrophobicContact CD1-CE1 4Å; L1436-F1456 HydrophobicContact CD1-CZ 4.43Å; L1436-F1456 HydrophobicContact CD2-CD1 4.2Å; L1436-F1456 HydrophobicContact CD2-CE1 3.22Å; L1436-F1456 HydrophobicContact CD2-CZ 3.74Å; L1436-F1456 HydrophobicContact CG-CE1 4.25Å; L1436-L1460 HydrophobicContact CB-CD2 4.31Å; L1436-L1460 HydrophobicContact CD1-CD1 3.63Å; L1436-L1460 HydrophobicContact CD1-CD2 4.5Å |
| 1437 | I | 66.8 | Low | 57.5 | Low | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 173.5 | -71.9 | 163.2 | 0 | 0 | 0 | 110.5 | I1433 N1434 I1435 C1439 A1440 L1441 A1476 R1479 I1480 | I1433-I1437 HydrophobicContact CG2-CD1 3.57Å; I1433-I1437 WeakPolarHBondContact O-CD1 3.27Å; I1433-I1437 WeakPolarHBondContact O-CG1 3.39Å; I1433-I1437 PolarHBondContact O-N 3.26Å; N1434-I1437 PolarHBondContact O-N 3.4Å; I1435-I1437 VanDerWaalsContact C-N 3.33Å; I1435-I1437 PolarHBondContact O-N 3.36Å; I1437-C1439 PolarHBondContact O-N 3Å; I1437-A1440 PolarHBondContact O-N 3.43Å; I1437-L1441 HydrophobicContact CG2-CD1 3.66Å; I1437-L1441 HydrophobicContact CG2-CG 4.37Å; I1437-L1441 WeakPolarHBondContact O-CB 3.4Å; I1437-L1441 VanDerWaalsContact O-CG 3.28Å; I1437-L1441 WeakPolarHBondContact O-CG 3.1Å; I1437-L1441 PolarHBondContact O-N 3.43Å; I1437-A1476 VanDerWaalsContact CD1-CA 3.48Å; I1437-A1476 HydrophobicContact CD1-CB 3.87Å; I1437-A1476 VanDerWaalsContact CD1-O 3.28Å; I1437-A1476 WeakPolarHBondContact CD1-O 3.26Å; I1437-R1479 HydrophobicContact CB-CG 4.15Å; I1437-R1479 HydrophobicContact CD1-CB 4.02Å; I1437-R1479 HydrophobicContact CD1-CG 4.44Å; I1437-R1479 HydrophobicContact CG2-CB 4.33Å; I1437-R1479 HydrophobicContact CG2-CG 3.89Å; I1437-I1480 HydrophobicContact CD1-CD1 4.41Å; I1437-I1480 HydrophobicContact CD1-CG1 4.04Å; I1437-I1480 HydrophobicContact CG1-CG1 4.22Å; I1437-I1480 HydrophobicContact CG2-CB 4.48Å; I1437-I1480 HydrophobicContact CG2-CG1 3.57Å |
| 1438 | D | 65.6 | Low | 56.9 | Low | 23 Ų | 23 | 52.6 Ų | 52.6 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 177.6 | -67.8 | -36.3 | 0 | 0 | 0 | 111.7 | N1434 I1435 L1441 N1442 R1479 | N1434-D1438 PolarHBondContact O-N 3.24Å; N1434-D1438 VanDerWaalsContact O-OD2 3.08Å; I1435-D1438 PolarHBondContact O-N 3.06Å; D1438-L1441 PolarHBondContact O-N 2.93Å; D1438-N1442 WeakPolarHBondContact O-CB 3.41Å; D1438-N1442 PolarHBondContact O-N 2.92Å; D1438-N1442 PolarHBondContact O-ND2 3.13Å; D1438-N1442 VanDerWaalsContact O-ND2 3.16Å; D1438-R1479 VanDerWaalsContact CG-NE 3.34Å; D1438-R1479 IonicContact OD1-CZ 2.9Å; D1438-R1479 IonicContact OD1-NE 3.94Å; D1438-R1479 PolarHBondContact OD1-NE 3.45Å; D1438-R1479 IonicContact OD1-NH2 2.8Å; D1438-R1479 PolarHBondContact OD1-NH2 3.41Å; D1438-R1479 IonicContact OD2-CZ 3.62Å; D1438-R1479 VanDerWaalsContact OD2-CZ 3.23Å; D1438-R1479 IonicContact OD2-NE 3.66Å; D1438-R1479 PolarHBondContact OD2-NE 3.23Å; D1438-R1479 IonicContact OD2-NH2 3.57Å; D1438-R1479 PolarHBondContact OD2-NH2 3.2Å |
| 1439 | C | 61.7 | Low | 56 | Low | 20 Ų | 20 | 57.6 Ų | 57.6 | 14% | 0.135 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 175.7 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | I1435 I1437 L1441 N1442 D1443 | I1435-C1439 PolarHBondContact O-N 3.35Å; I1435-C1439 PolarHBondContact O-SG 3.23Å; I1435-C1439 VanDerWaalsContact O-SG 3.33Å; I1437-C1439 PolarHBondContact O-N 3Å; C1439-L1441 VanDerWaalsContact C-N 3.26Å; C1439-L1441 PolarHBondContact O-N 3.49Å; C1439-N1442 PolarHBondContact O-N 3.37Å; C1439-D1443 PolarHBondContact O-N 3.27Å; C1439-D1443 VanDerWaalsContact O-N 3.08Å |
| 1440 | A | 65.4 | Low | 55 | Low | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -34.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | L1436 I1437 Y1457 K1520 L1524 | L1436-A1440 WeakPolarHBondContact O-CB 3.32Å; L1436-A1440 PolarHBondContact O-N 2.95Å; I1437-A1440 PolarHBondContact O-N 3.43Å; A1440-Y1457 WeakPolarHBondContact CA-OH 3.44Å; A1440-Y1457 HydrophobicContact CB-CE1 4.3Å; A1440-Y1457 WeakPolarHBondContact CB-OH 3.4Å; A1440-Y1457 PolarHBondContact O-OH 2.87Å; A1440-K1520 WeakPolarHBondContact O-CD 3.49Å; A1440-L1524 HydrophobicContact CB-CD1 4.05Å; A1440-L1524 HydrophobicContact CB-CD2 4.06Å; A1440-L1524 HydrophobicContact CB-CG 4.43Å |
| 1441 | L | 67.9 | Low | 54 | Low | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -83.8 | -35.5 | 179.3 | -65.3 | 174.7 | 0 | 0 | 0 | 112.3 | I1437 D1438 C1439 H1483 K1520 L1521 L1524 | I1437-L1441 HydrophobicContact CG2-CD1 3.66Å; I1437-L1441 HydrophobicContact CG2-CG 4.37Å; I1437-L1441 WeakPolarHBondContact O-CB 3.4Å; I1437-L1441 VanDerWaalsContact O-CG 3.28Å; I1437-L1441 WeakPolarHBondContact O-CG 3.1Å; I1437-L1441 PolarHBondContact O-N 3.43Å; D1438-L1441 PolarHBondContact O-N 2.93Å; C1439-L1441 VanDerWaalsContact C-N 3.26Å; C1439-L1441 PolarHBondContact O-N 3.49Å; L1441-H1483 HydrophobicContact CD1-CB 3.86Å; L1441-K1520 HydrophobicContact CD2-CB 4.13Å; L1441-K1520 PolarHBondContact O-NZ 3.37Å; L1441-L1521 HydrophobicContact CD2-CD2 3.93Å; L1441-L1521 HydrophobicContact CD2-CG 4.13Å; L1441-L1524 HydrophobicContact CD2-CD1 4.19Å; L1441-L1524 HydrophobicContact CG-CD1 4.42Å |
| 1442 | N | 63.8 | Low | 53.1 | Low | 95 Ų | 95 | 64.7 Ų | 64.7 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -80.1 | -21.9 | -177.8 | -72.9 | -26.9 | 0 | 0 | 0 | 115.3 | D1438 C1439 S1444 H1483 | D1438-N1442 WeakPolarHBondContact O-CB 3.41Å; D1438-N1442 PolarHBondContact O-N 2.92Å; D1438-N1442 PolarHBondContact O-ND2 3.13Å; D1438-N1442 VanDerWaalsContact O-ND2 3.16Å; C1439-N1442 PolarHBondContact O-N 3.37Å; N1442-S1444 PolarHBondContact O-N 3.08Å; N1442-H1483 PolarHBondContact OD1-CE1 3.08Å; N1442-H1483 VanDerWaalsContact OD1-CE1 3.32Å |
| 1443 | D | 54.9 | Low | 52.2 | Low | 51 Ų | 51 | 65 Ų | 65 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | trans | -55.2 | 112.6 | -172.8 | -97.5 | -8 | 0 | 0 | 0 | 112.3 | C1439 K1520 | C1439-D1443 PolarHBondContact O-N 3.27Å; C1439-D1443 VanDerWaalsContact O-N 3.08Å; D1443-K1520 WeakPolarHBondContact O-CE 3.38Å; D1443-K1520 PolarHBondContact O-NZ 2.92Å | ||
| 1444 | S | 48.4 | Very low | 51.2 | Low | 80 Ų | 80 | 68.4 Ų | 68.4 | 56% | 0.559 | 38% | 0.383 | S | S | * | . | trans | -63.3 | 141.3 | 174.8 | 56.8 | 0 | 0 | 0 | 0 | 110.3 | N1442 N1446 | N1442-S1444 PolarHBondContact O-N 3.08Å; S1444-N1446 PolarHBondContact O-N 3.31Å | ||
| 1445 | E | 44.5 | Very low | 50.3 | Low | 159 Ų | 159 | 73.1 Ų | 73.1 | 74% | 0.743 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -7 | -174 | -69.8 | 176.5 | 166.6 | 0 | 0 | 116.6 | ||
| 1446 | N | 37.1 | Very low | 49.5 | Very low | 151 Ų | 151 | 74.5 Ų | 74.5 | 81% | 0.807 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 3.5 | -169.1 | -75.5 | -23.4 | 0 | 0 | 0 | 116.6 | S1444 T1448 | S1444-N1446 PolarHBondContact O-N 3.31Å; N1446-T1448 PolarHBondContact O-N 2.66Å |
| 1447 | L | 35 | Very low | 48.5 | Very low | 101 Ų | 101 | 76.3 Ų | 76.3 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -96.1 | 91.9 | 171.4 | -82.7 | 154.8 | 0 | 0 | 0 | 109.3 | L1449 | L1447-L1449 PolarHBondContact O-N 3.39Š|
| 1448 | T | 37.9 | Very low | 47.7 | Very low | 126 Ų | 126 | 80.5 Ų | 80.5 | 77% | 0.773 | 43% | 0.434 | S | S | * | . | trans | -32.4 | 112.9 | 162.3 | 47.6 | 0 | 0 | 0 | 0 | 109.3 | N1446 S1450 | N1446-T1448 PolarHBondContact O-N 2.66Å; T1448-S1450 VanDerWaalsContact C-N 3.26Å; T1448-S1450 PolarHBondContact O-N 3.43Å | ||
| 1449 | L | 33.1 | Very low | 46.8 | Very low | 138 Ų | 138 | 82 Ų | 82 | 72% | 0.723 | 44% | 0.443 | S | S | * | . | trans | -46.4 | 87.7 | -179.7 | -78.6 | 145.7 | 0 | 0 | 0 | 110.4 | L1447 T1451 | L1447-L1449 PolarHBondContact O-N 3.39Å; L1449-T1451 PolarHBondContact O-N 3.13Å | ||
| 1450 | S | 36.2 | Very low | 46.1 | Very low | 55 Ų | 55 | 82.4 Ų | 82.4 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | trans | -65.9 | 137.9 | 172.2 | 65 | 0 | 0 | 0 | 0 | 106.5 | T1448 T1452 N1453 | T1448-S1450 VanDerWaalsContact C-N 3.26Å; T1448-S1450 PolarHBondContact O-N 3.43Å; S1450-T1452 PolarHBondContact O-N 3.33Å; S1450-T1452 PolarHBondContact OG-OG1 3.11Å; S1450-N1453 PolarHBondContact O-N 3.26Å | ||
| 1451 | T | 41.3 | Very low | 45.3 | Very low | 125 Ų | 125 | 85.6 Ų | 85.6 | 77% | 0.767 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -52.2 | -20.3 | -178 | 43.6 | 0 | 0 | 0 | 0 | 113.5 | L1449 | L1449-T1451 PolarHBondContact O-N 3.13Å |
| 1452 | T | 40.7 | Very low | 44.7 | Very low | 72 Ų | 72 | 91.7 Ų | 91.7 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.1 | -38.4 | 173.3 | 41.2 | 0 | 0 | 0 | 0 | 114.8 | S1450 K1455 F1456 | S1450-T1452 PolarHBondContact O-N 3.33Å; S1450-T1452 PolarHBondContact OG-OG1 3.11Å; T1452-K1455 PolarHBondContact O-N 2.87Å; T1452-F1456 PolarHBondContact O-N 3.34Å |
| 1453 | N | 40.8 | Very low | 44.1 | Very low | 46 Ų | 46 | 91 Ų | 91 | 25% | 0.246 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -71.1 | -32.6 | 177.2 | -89 | 4.7 | 0 | 0 | 0 | 111.8 | S1450 K1455 F1456 Y1457 | S1450-N1453 PolarHBondContact O-N 3.26Å; N1453-K1455 VanDerWaalsContact C-N 3.32Å; N1453-K1455 PolarHBondContact O-N 2.85Å; N1453-F1456 PolarHBondContact O-N 3.13Å; N1453-Y1457 PolarHBondContact O-N 3.2Å |
| 1454 | N | 43.1 | Very low | 43.8 | Very low | 78 Ų | 78 | 89.8 Ų | 89.8 | 42% | 0.417 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 174.3 | -90.4 | -16.7 | 0 | 0 | 0 | 112 | L1458 | N1454-L1458 WeakPolarHBondContact O-CB 3Å; N1454-L1458 VanDerWaalsContact O-CD1 3.28Å; N1454-L1458 WeakPolarHBondContact O-CD1 3.43Å; N1454-L1458 WeakPolarHBondContact O-CG 3.49Å; N1454-L1458 PolarHBondContact O-N 3.07Å |
| 1455 | K | 46.1 | Very low | 43.8 | Very low | 146 Ų | 146 | 92.7 Ų | 92.7 | 64% | 0.635 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.2 | -39.8 | 178.4 | -157.3 | 176.3 | -177.4 | -178.2 | 0 | 111.3 | T1452 N1453 L1458 D1459 | T1452-K1455 PolarHBondContact O-N 2.87Å; N1453-K1455 VanDerWaalsContact C-N 3.32Å; N1453-K1455 PolarHBondContact O-N 2.85Å; K1455-L1458 PolarHBondContact O-N 3.12Å; K1455-D1459 WeakPolarHBondContact O-CB 3.45Å; K1455-D1459 PolarHBondContact O-N 3.13Å |
| 1456 | F | 44.8 | Very low | 44.3 | Very low | 58 Ų | 58 | 88.3 Ų | 88.3 | 25% | 0.254 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.5 | -46.4 | 178.1 | -157.4 | -73.5 | 0 | 0 | 0 | 112.5 | L1436 T1452 N1453 L1458 D1459 L1460 | L1436-F1456 HydrophobicContact CD1-CE1 4Å; L1436-F1456 HydrophobicContact CD1-CZ 4.43Å; L1436-F1456 HydrophobicContact CD2-CD1 4.2Å; L1436-F1456 HydrophobicContact CD2-CE1 3.22Å; L1436-F1456 HydrophobicContact CD2-CZ 3.74Å; L1436-F1456 HydrophobicContact CG-CE1 4.25Å; T1452-F1456 PolarHBondContact O-N 3.34Å; N1453-F1456 PolarHBondContact O-N 3.13Å; F1456-L1458 VanDerWaalsContact C-N 3.34Å; F1456-D1459 PolarHBondContact O-N 3.2Å; F1456-L1460 PolarHBondContact O-N 3.47Å |
| 1457 | Y | 44.2 | Very low | 45.1 | Very low | 63 Ų | 63 | 82.5 Ų | 82.5 | 25% | 0.247 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 172.3 | -103.3 | -91.7 | 0 | 0 | 0 | 111.6 | A1440 N1453 D1459 L1460 M1461 L1524 | A1440-Y1457 WeakPolarHBondContact CA-OH 3.44Å; A1440-Y1457 HydrophobicContact CB-CE1 4.3Å; A1440-Y1457 WeakPolarHBondContact CB-OH 3.4Å; A1440-Y1457 PolarHBondContact O-OH 2.87Å; N1453-Y1457 PolarHBondContact O-N 3.2Å; Y1457-D1459 VanDerWaalsContact C-N 3.32Å; Y1457-D1459 PolarHBondContact O-N 3.26Å; Y1457-L1460 PolarHBondContact O-N 3.12Å; Y1457-M1461 VanDerWaalsContact O-CB 3.31Å; Y1457-M1461 WeakPolarHBondContact O-CB 3.48Å; Y1457-M1461 VanDerWaalsContact O-CG 3.26Å; Y1457-M1461 WeakPolarHBondContact O-CG 3.11Å; Y1457-M1461 PolarHBondContact O-N 3.1Å; Y1457-L1524 HydrophobicContact CE1-CD2 4.25Å |
| 1458 | L | 48.4 | Very low | 45.9 | Very low | 93 Ų | 93 | 84.7 Ų | 84.7 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 175.5 | -82.6 | 161.6 | 0 | 0 | 0 | 112.1 | N1454 K1455 F1456 M1461 K1462 | N1454-L1458 WeakPolarHBondContact O-CB 3Å; N1454-L1458 VanDerWaalsContact O-CD1 3.28Å; N1454-L1458 WeakPolarHBondContact O-CD1 3.43Å; N1454-L1458 WeakPolarHBondContact O-CG 3.49Å; N1454-L1458 PolarHBondContact O-N 3.07Å; K1455-L1458 PolarHBondContact O-N 3.12Å; F1456-L1458 VanDerWaalsContact C-N 3.34Å; L1458-M1461 PolarHBondContact O-N 3.2Å; L1458-K1462 WeakPolarHBondContact O-CB 2.91Å; L1458-K1462 VanDerWaalsContact O-CG 3.25Å; L1458-K1462 WeakPolarHBondContact O-CG 3.34Å; L1458-K1462 PolarHBondContact O-N 3.41Å |
| 1459 | D | 47.7 | Very low | 47.1 | Very low | 56 Ų | 56 | 80.6 Ų | 80.6 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -75.1 | -38.5 | 179.4 | -70.8 | -22.6 | 0 | 0 | 0 | 111.3 | K1455 F1456 Y1457 M1461 K1462 W1463 | K1455-D1459 WeakPolarHBondContact O-CB 3.45Å; K1455-D1459 PolarHBondContact O-N 3.13Å; F1456-D1459 PolarHBondContact O-N 3.2Å; Y1457-D1459 VanDerWaalsContact C-N 3.32Å; Y1457-D1459 PolarHBondContact O-N 3.26Å; D1459-M1461 VanDerWaalsContact C-N 3.35Å; D1459-K1462 PolarHBondContact O-N 3.23Å; D1459-W1463 WeakPolarHBondContact O-CB 3.27Å; D1459-W1463 PolarHBondContact O-N 3.16Å |
| 1460 | L | 47.6 | Very low | 48.6 | Very low | 28 Ų | 28 | 75.8 Ų | 75.8 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 168 | -169.8 | 67.2 | 0 | 0 | 0 | 110.8 | L1436 F1456 Y1457 W1463 T1464 L1524 | L1436-L1460 HydrophobicContact CB-CD2 4.31Å; L1436-L1460 HydrophobicContact CD1-CD1 3.63Å; L1436-L1460 HydrophobicContact CD1-CD2 4.5Å; F1456-L1460 PolarHBondContact O-N 3.47Å; Y1457-L1460 PolarHBondContact O-N 3.12Å; L1460-W1463 HydrophobicContact CD1-CE3 4.34Å; L1460-W1463 CarbonylContact O-C 3.47Å; L1460-W1463 PolarHBondContact O-N 3.21Å; L1460-T1464 WeakPolarHBondContact O-CG2 3.36Å; L1460-T1464 PolarHBondContact O-N 3.28Å; L1460-T1464 PolarHBondContact O-OG1 3.43Å; L1460-L1524 HydrophobicContact CD2-CD2 4.08Å |
| 1461 | M | 48.1 | Very low | 50 | Low | 70 Ų | 70 | 75.8 Ų | 75.8 | 35% | 0.345 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 176.7 | -78.6 | -179.4 | 78.2 | 0 | 0 | 112.9 | Y1457 L1458 D1459 W1463 T1464 K1465 | Y1457-M1461 VanDerWaalsContact O-CB 3.31Å; Y1457-M1461 WeakPolarHBondContact O-CB 3.48Å; Y1457-M1461 VanDerWaalsContact O-CG 3.26Å; Y1457-M1461 WeakPolarHBondContact O-CG 3.11Å; Y1457-M1461 PolarHBondContact O-N 3.1Å; L1458-M1461 PolarHBondContact O-N 3.2Å; D1459-M1461 VanDerWaalsContact C-N 3.35Å; M1461-W1463 VanDerWaalsContact C-N 3.32Å; M1461-T1464 WeakPolarHBondContact CA-OG1 3.27Å; M1461-T1464 PolarHBondContact O-OG1 3.21Å; M1461-T1464 VanDerWaalsContact O-OG1 3.07Å; M1461-K1465 VanDerWaalsContact O-CB 3.31Å; M1461-K1465 WeakPolarHBondContact O-CB 3.26Å; M1461-K1465 VanDerWaalsContact O-CG 3.25Å; M1461-K1465 WeakPolarHBondContact O-CG 3.47Å; M1461-K1465 PolarHBondContact O-N 3.4Å |
| 1462 | K | 53.9 | Low | 51.4 | Low | 134 Ų | 134 | 70.4 Ų | 70.4 | 58% | 0.583 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.4 | -39.4 | 173 | -80.8 | 173.5 | -178.5 | 173.1 | 0 | 110.4 | L1458 D1459 K1465 S1466 | L1458-K1462 WeakPolarHBondContact O-CB 2.91Å; L1458-K1462 VanDerWaalsContact O-CG 3.25Å; L1458-K1462 WeakPolarHBondContact O-CG 3.34Å; L1458-K1462 PolarHBondContact O-N 3.41Å; D1459-K1462 PolarHBondContact O-N 3.23Å; K1462-K1465 PolarHBondContact O-N 3.14Å; K1462-S1466 WeakPolarHBondContact O-CB 3.5Å; K1462-S1466 PolarHBondContact O-N 3.02Å |
| 1463 | W | 51.3 | Low | 52.9 | Low | 81 Ų | 81 | 67.6 Ų | 67.6 | 31% | 0.307 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.3 | -42.8 | -179.1 | -171.5 | 75.3 | 0 | 0 | 0 | 112 | L1429 I1433 D1459 L1460 M1461 K1465 S1466 M1467 L1472 | L1429-W1463 HydrophobicContact CD2-CH2 3.54Å; L1429-W1463 HydrophobicContact CD2-CZ2 3.22Å; L1429-W1463 HydrophobicContact CD2-CZ3 4.45Å; I1433-W1463 HydrophobicContact CD1-CH2 3.8Å; I1433-W1463 HydrophobicContact CD1-CZ3 3.81Å; I1433-W1463 HydrophobicContact CG1-CH2 4.29Å; I1433-W1463 HydrophobicContact CG1-CZ3 3.88Å; D1459-W1463 WeakPolarHBondContact O-CB 3.27Å; D1459-W1463 PolarHBondContact O-N 3.16Å; L1460-W1463 HydrophobicContact CD1-CE3 4.34Å; L1460-W1463 CarbonylContact O-C 3.47Å; L1460-W1463 PolarHBondContact O-N 3.21Å; M1461-W1463 VanDerWaalsContact C-N 3.32Å; W1463-K1465 VanDerWaalsContact C-N 3.34Å; W1463-K1465 PolarHBondContact O-N 3.15Å; W1463-S1466 WeakPolarHBondContact CA-OG 3.43Å; W1463-S1466 CarbonylContact O-C 3.6Å; W1463-S1466 WeakPolarHBondContact O-CA 3.34Å; W1463-S1466 WeakPolarHBondContact O-CB 3.48Å; W1463-S1466 PolarHBondContact O-N 3.44Å; W1463-S1466 PolarHBondContact O-OG 3.24Å; W1463-M1467 HydrophobicContact CE3-CE 4.15Å; W1463-M1467 HydrophobicContact CH2-CE 3.69Å; W1463-M1467 HydrophobicContact CH2-CG 4.49Å; W1463-M1467 HydrophobicContact CZ3-CE 3.33Å; W1463-M1467 PolarHBondContact O-N 2.96Å; W1463-M1467 VanDerWaalsContact O-N 3.14Å; W1463-L1472 HydrophobicContact CH2-CB 4.18Å; W1463-L1472 HydrophobicContact CH2-CD1 3.63Å; W1463-L1472 HydrophobicContact CH2-CG 4.36Å; W1463-L1472 HydrophobicContact CZ2-CD1 3.66Å |
| 1464 | T | 48.6 | Very low | 54.5 | Low | 25 Ų | 25 | 66 Ų | 66 | 15% | 0.153 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 170.8 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | L1460 M1461 S1466 M1467 F1525 | L1460-T1464 WeakPolarHBondContact O-CG2 3.36Å; L1460-T1464 PolarHBondContact O-N 3.28Å; L1460-T1464 PolarHBondContact O-OG1 3.43Å; M1461-T1464 WeakPolarHBondContact CA-OG1 3.27Å; M1461-T1464 PolarHBondContact O-OG1 3.21Å; M1461-T1464 VanDerWaalsContact O-OG1 3.07Å; T1464-S1466 PolarHBondContact O-N 2.69Å; T1464-M1467 HydrophobicContact CG2-CE 4.3Å; T1464-M1467 HydrophobicContact CG2-SD 4.47Å; T1464-M1467 VanDerWaalsContact O-CB 3.3Å; T1464-M1467 WeakPolarHBondContact O-CB 3.38Å; T1464-M1467 PolarHBondContact O-N 2.95Å; T1464-M1467 VanDerWaalsContact O-N 3.15Å; T1464-F1525 HydrophobicContact CG2-CE1 4.36Å; T1464-F1525 HydrophobicContact CG2-CZ 4.15Å |
| 1465 | K | 49 | Very low | 55.9 | Low | 141 Ų | 141 | 63.3 Ų | 63.3 | 61% | 0.613 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.5 | -24.7 | 171 | -78.9 | 179.6 | 178.9 | -177.2 | 0 | 113.2 | M1461 K1462 W1463 | M1461-K1465 VanDerWaalsContact O-CB 3.31Å; M1461-K1465 WeakPolarHBondContact O-CB 3.26Å; M1461-K1465 VanDerWaalsContact O-CG 3.25Å; M1461-K1465 WeakPolarHBondContact O-CG 3.47Å; M1461-K1465 PolarHBondContact O-N 3.4Å; K1462-K1465 PolarHBondContact O-N 3.14Å; W1463-K1465 VanDerWaalsContact C-N 3.34Å; W1463-K1465 PolarHBondContact O-N 3.15Å |
| 1466 | S | 54.8 | Low | 57.3 | Low | 68 Ų | 68 | 56.5 Ų | 56.5 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.9 | 176.1 | 79.4 | 0 | 0 | 0 | 0 | 114.2 | K1462 W1463 T1464 N1468 | K1462-S1466 WeakPolarHBondContact O-CB 3.5Å; K1462-S1466 PolarHBondContact O-N 3.02Å; W1463-S1466 WeakPolarHBondContact CA-OG 3.43Å; W1463-S1466 CarbonylContact O-C 3.6Å; W1463-S1466 WeakPolarHBondContact O-CA 3.34Å; W1463-S1466 WeakPolarHBondContact O-CB 3.48Å; W1463-S1466 PolarHBondContact O-N 3.44Å; W1463-S1466 PolarHBondContact O-OG 3.24Å; T1464-S1466 PolarHBondContact O-N 2.69Å; S1466-N1468 VanDerWaalsContact C-N 3.32Å; S1466-N1468 PolarHBondContact O-N 3.49Å |
| 1467 | M | 53.5 | Low | 59 | Low | 29 Ų | 29 | 53.8 Ų | 53.8 | 14% | 0.143 | 27% | 0.272 | C | S | . | . | trans | -63.9 | 88.6 | -179.1 | -83.6 | -179.4 | 168.1 | 0 | 0 | 111.3 | I1433 W1463 T1464 S1469 L1472 L1473 | I1433-M1467 HydrophobicContact CD1-CE 4.19Å; W1463-M1467 HydrophobicContact CE3-CE 4.15Å; W1463-M1467 HydrophobicContact CH2-CE 3.69Å; W1463-M1467 HydrophobicContact CH2-CG 4.49Å; W1463-M1467 HydrophobicContact CZ3-CE 3.33Å; W1463-M1467 PolarHBondContact O-N 2.96Å; W1463-M1467 VanDerWaalsContact O-N 3.14Å; T1464-M1467 HydrophobicContact CG2-CE 4.3Å; T1464-M1467 HydrophobicContact CG2-SD 4.47Å; T1464-M1467 VanDerWaalsContact O-CB 3.3Å; T1464-M1467 WeakPolarHBondContact O-CB 3.38Å; T1464-M1467 PolarHBondContact O-N 2.95Å; T1464-M1467 VanDerWaalsContact O-N 3.15Å; M1467-S1469 PolarHBondContact O-N 3.4Å; M1467-L1472 HydrophobicContact CE-CB 3.97Å; M1467-L1473 HydrophobicContact SD-CB 3.87Å; M1467-L1473 HydrophobicContact SD-CD1 3.8Å; M1467-L1473 HydrophobicContact SD-CG 4.43Å | ||
| 1468 | N | 52.4 | Low | 60.6 | Low | 146 Ų | 146 | 57.4 Ų | 57.4 | 78% | 0.781 | 29% | 0.285 | S | S | * | . | trans | -80.9 | 6.8 | 161.6 | -73.7 | -9.4 | 0 | 0 | 0 | 112 | S1466 | S1466-N1468 VanDerWaalsContact C-N 3.32Å; S1466-N1468 PolarHBondContact O-N 3.49Å | ||
| 1469 | S | 63.1 | Low | 62.1 | Low | 41 Ų | 41 | 56.7 Ų | 56.7 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | trans | -112.3 | 105.2 | -178.9 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | M1467 D1471 L1472 L1473 | M1467-S1469 PolarHBondContact O-N 3.4Å; S1469-D1471 PolarHBondContact O-N 3.1Å; S1469-L1472 PolarHBondContact O-N 3.47Å; S1469-L1472 PolarHBondContact OG-N 3.36Å; S1469-L1473 PolarHBondContact O-N 3.13Å | ||
| 1470 | M | 65.1 | Low | 63.6 | Low | 36 Ų | 36 | 54 Ų | 54 | 18% | 0.177 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.4 | -40.9 | 173.9 | -73.2 | -69.6 | -74.4 | 0 | 0 | 112.4 | L1472 L1473 T1474 F1534 D1553 V1556 Y1557 | M1470-L1472 PolarHBondContact O-N 3.47Å; M1470-L1473 WeakPolarHBondContact O-CB 3.26Å; M1470-L1473 PolarHBondContact O-N 3.35Å; M1470-T1474 PolarHBondContact O-N 3.2Å; M1470-T1474 PolarHBondContact O-OG1 3.48Å; M1470-F1534 HydrophobicContact CE-CE2 4.25Å; M1470-F1534 HydrophobicContact CE-CZ 3.82Å; M1470-F1534 HydrophobicContact SD-CE2 3.4Å; M1470-F1534 WeakPolarHBondContact SD-CE2 3.39Å; M1470-F1534 HydrophobicContact SD-CZ 3.61Å; M1470-D1553 HydrophobicContact CE-CB 4.3Å; M1470-V1556 HydrophobicContact CE-CB 4.01Å; M1470-V1556 HydrophobicContact CE-CG1 4.16Å; M1470-V1556 HydrophobicContact CE-CG2 4.11Å; M1470-Y1557 HydrophobicContact CE-CE1 4.38Å; M1470-Y1557 HydrophobicContact CE-CE2 4.36Å |
| 1471 | D | 66.4 | Low | 64.9 | Low | 56 Ų | 56 | 53.5 Ų | 53.5 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.6 | -44.8 | -179.2 | -103 | -26.3 | 0 | 0 | 0 | 112.3 | Y1426 S1469 T1474 V1475 K1552 | Y1426-D1471 HydrophobicContact CE2-CB 3.48Å; Y1426-D1471 VanDerWaalsContact CE2-CB 3.48Å; Y1426-D1471 WeakPolarHBondContact OH-CA 3.39Å; Y1426-D1471 WeakPolarHBondContact OH-CB 3.3Å; Y1426-D1471 PolarHBondContact OH-O 2.72Å; S1469-D1471 PolarHBondContact O-N 3.1Å; D1471-T1474 WeakPolarHBondContact O-CB 3.34Å; D1471-T1474 PolarHBondContact O-N 3.28Å; D1471-T1474 PolarHBondContact O-OG1 2.89Å; D1471-V1475 PolarHBondContact O-N 3.32Å; D1471-K1552 IonicContact OD1-NZ 2.88Å; D1471-K1552 PolarHBondContact OD1-NZ 3.12Å; D1471-K1552 IonicContact OD2-NZ 3.63Å |
| 1472 | L | 70.1 | Confident | 66.2 | Low | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.7 | -32.9 | 178.3 | -67.6 | 172.4 | 0 | 0 | 0 | 112.7 | Y1426 L1429 I1430 I1433 W1463 M1467 S1469 M1470 V1475 A1476 | Y1426-L1472 HydrophobicContact CD2-CD2 3.59Å; Y1426-L1472 HydrophobicContact CD2-CG 3.97Å; Y1426-L1472 HydrophobicContact CE2-CD2 3.39Å; Y1426-L1472 HydrophobicContact CE2-CG 3.68Å; L1429-L1472 HydrophobicContact CB-CD1 4.28Å; L1429-L1472 HydrophobicContact CB-CD2 3.51Å; L1429-L1472 HydrophobicContact CD1-CD1 4.14Å; L1429-L1472 HydrophobicContact CD2-CD1 4.29Å; L1429-L1472 HydrophobicContact CG-CD1 4.49Å; I1430-L1472 HydrophobicContact CG1-CD2 4.43Å; I1433-L1472 HydrophobicContact CD1-CB 4.02Å; I1433-L1472 HydrophobicContact CD1-CD2 3.92Å; W1463-L1472 HydrophobicContact CH2-CB 4.18Å; W1463-L1472 HydrophobicContact CH2-CD1 3.63Å; W1463-L1472 HydrophobicContact CH2-CG 4.36Å; W1463-L1472 HydrophobicContact CZ2-CD1 3.66Å; M1467-L1472 HydrophobicContact CE-CB 3.97Å; S1469-L1472 PolarHBondContact O-N 3.47Å; S1469-L1472 PolarHBondContact OG-N 3.36Å; M1470-L1472 PolarHBondContact O-N 3.47Å; L1472-V1475 PolarHBondContact O-N 3.48Å; L1472-A1476 PolarHBondContact O-N 2.94Å; L1472-A1476 VanDerWaalsContact O-N 3.13Å |
| 1473 | L | 72.5 | Confident | 67.3 | Low | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.4 | -38.3 | 174.8 | -174 | 67.7 | 0 | 0 | 0 | 111.3 | M1467 S1469 M1470 V1475 A1476 L1477 F1525 F1534 V1556 | M1467-L1473 HydrophobicContact SD-CB 3.87Å; M1467-L1473 HydrophobicContact SD-CD1 3.8Å; M1467-L1473 HydrophobicContact SD-CG 4.43Å; S1469-L1473 PolarHBondContact O-N 3.13Å; M1470-L1473 WeakPolarHBondContact O-CB 3.26Å; M1470-L1473 PolarHBondContact O-N 3.35Å; L1473-V1475 PolarHBondContact O-N 3.45Å; L1473-A1476 PolarHBondContact O-N 3.37Å; L1473-L1477 HydrophobicContact CD1-CD1 4.23Å; L1473-L1477 HydrophobicContact CD1-CD2 4.47Å; L1473-L1477 HydrophobicContact CD1-CG 4.11Å; L1473-L1477 HydrophobicContact CD2-CD1 4.28Å; L1473-L1477 HydrophobicContact CG-CD1 3.82Å; L1473-L1477 HydrophobicContact CG-CG 4.13Å; L1473-L1477 WeakPolarHBondContact O-CG 3.36Å; L1473-L1477 PolarHBondContact O-N 3.04Å; L1473-F1525 HydrophobicContact CD1-CE1 3.68Å; L1473-F1525 HydrophobicContact CD1-CZ 3.88Å; L1473-F1534 HydrophobicContact CD2-CD1 3.98Å; L1473-F1534 HydrophobicContact CD2-CD2 3.32Å; L1473-F1534 HydrophobicContact CD2-CE1 3.79Å; L1473-F1534 HydrophobicContact CD2-CE2 3.1Å; L1473-F1534 HydrophobicContact CD2-CG 3.77Å; L1473-F1534 HydrophobicContact CD2-CZ 3.38Å; L1473-V1556 HydrophobicContact CB-CG1 4.46Å; L1473-V1556 HydrophobicContact CD2-CG1 3.73Å; L1473-V1556 HydrophobicContact CG-CG1 4.06Å |
| 1474 | T | 73 | Confident | 68.4 | Low | 12 Ų | 12 | 43.6 Ų | 43.6 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.4 | -46.4 | 173.9 | -35.8 | 0 | 0 | 0 | 0 | 110.8 | M1470 D1471 R1478 E1555 V1556 | M1470-T1474 PolarHBondContact O-N 3.2Å; M1470-T1474 PolarHBondContact O-OG1 3.48Å; D1471-T1474 WeakPolarHBondContact O-CB 3.34Å; D1471-T1474 PolarHBondContact O-N 3.28Å; D1471-T1474 PolarHBondContact O-OG1 2.89Å; T1474-R1478 WeakPolarHBondContact O-CB 3.48Å; T1474-R1478 PolarHBondContact O-N 3.17Å; T1474-E1555 HydrophobicContact CG2-CB 3.85Å; T1474-V1556 HydrophobicContact CG2-CG2 3.86Å; T1474-V1556 WeakPolarHBondContact OG1-CG2 3.36Å |
| 1475 | V | 74 | Confident | 69.4 | Low | 23 Ų | 23 | 45.1 Ų | 45.1 | 14% | 0.139 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | -179 | 172 | 0 | 0 | 0 | 0 | 111.5 | I1430 I1433 N1434 D1471 L1472 L1473 R1478 R1479 | I1430-V1475 HydrophobicContact CB-CG1 4.1Å; I1430-V1475 HydrophobicContact CB-CG2 4.49Å; I1430-V1475 HydrophobicContact CD1-CG2 3.91Å; I1430-V1475 HydrophobicContact CG1-CB 4.44Å; I1430-V1475 HydrophobicContact CG1-CG1 4.27Å; I1430-V1475 HydrophobicContact CG1-CG2 3.83Å; I1430-V1475 HydrophobicContact CG2-CG1 3.62Å; I1430-V1475 HydrophobicContact CG2-CG2 4.19Å; I1433-V1475 HydrophobicContact CG2-CG1 4.22Å; N1434-V1475 WeakPolarHBondContact OD1-CG1 3.45Å; D1471-V1475 PolarHBondContact O-N 3.32Å; L1472-V1475 PolarHBondContact O-N 3.48Å; L1473-V1475 PolarHBondContact O-N 3.45Å; V1475-R1478 PolarHBondContact O-N 3.26Å; V1475-R1479 PolarHBondContact O-N 3.32Å |
| 1476 | A | 74.7 | Confident | 70.4 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -52.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1433 I1437 L1472 L1473 R1478 R1479 I1480 F1525 | I1433-A1476 HydrophobicContact CG2-CB 3.63Å; I1437-A1476 VanDerWaalsContact CD1-CA 3.48Å; I1437-A1476 HydrophobicContact CD1-CB 3.87Å; I1437-A1476 VanDerWaalsContact CD1-O 3.28Å; I1437-A1476 WeakPolarHBondContact CD1-O 3.26Å; L1472-A1476 PolarHBondContact O-N 2.94Å; L1472-A1476 VanDerWaalsContact O-N 3.13Å; L1473-A1476 PolarHBondContact O-N 3.37Å; A1476-R1478 PolarHBondContact O-N 2.75Å; A1476-R1479 PolarHBondContact O-N 2.71Å; A1476-I1480 WeakPolarHBondContact O-CG1 3.48Å; A1476-I1480 PolarHBondContact O-N 2.88Å; A1476-F1525 HydrophobicContact CB-CZ 4.26Å |
| 1477 | L | 79.7 | Confident | 71.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | -178.9 | -61.5 | 173 | 0 | 0 | 0 | 111.5 | L1473 R1479 I1480 Y1481 F1525 L1530 V1556 Y1559 A1560 L1563 | L1473-L1477 HydrophobicContact CD1-CD1 4.23Å; L1473-L1477 HydrophobicContact CD1-CD2 4.47Å; L1473-L1477 HydrophobicContact CD1-CG 4.11Å; L1473-L1477 HydrophobicContact CD2-CD1 4.28Å; L1473-L1477 HydrophobicContact CG-CD1 3.82Å; L1473-L1477 HydrophobicContact CG-CG 4.13Å; L1473-L1477 WeakPolarHBondContact O-CG 3.36Å; L1473-L1477 PolarHBondContact O-N 3.04Å; L1477-R1479 VanDerWaalsContact C-N 3.35Å; L1477-R1479 PolarHBondContact O-N 3.39Å; L1477-I1480 PolarHBondContact O-N 3.42Å; L1477-Y1481 WeakPolarHBondContact O-CB 3.34Å; L1477-Y1481 PolarHBondContact O-N 3.19Å; L1477-F1525 HydrophobicContact CD2-CE2 4.46Å; L1477-L1530 HydrophobicContact CD2-CD2 4.3Å; L1477-V1556 HydrophobicContact CD1-CG1 3.89Å; L1477-Y1559 HydrophobicContact CB-CD2 4.47Å; L1477-Y1559 HydrophobicContact CB-CG 4.34Å; L1477-A1560 HydrophobicContact CD1-CB 3.93Å; L1477-L1563 HydrophobicContact CD2-CD1 3.47Å; L1477-L1563 VanDerWaalsContact CD2-CD1 3.47Å |
| 1478 | R | 77.8 | Confident | 71.6 | Confident | 139 Ų | 139 | 38.6 Ų | 38.6 | 53% | 0.525 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 176 | -175.9 | 175.3 | 179 | 167.9 | 1.4 | 112.1 | T1474 V1475 A1476 Y1481 S1482 Y1559 | T1474-R1478 WeakPolarHBondContact O-CB 3.48Å; T1474-R1478 PolarHBondContact O-N 3.17Å; V1475-R1478 PolarHBondContact O-N 3.26Å; A1476-R1478 PolarHBondContact O-N 2.75Å; R1478-Y1481 PolarHBondContact O-N 3Å; R1478-S1482 WeakPolarHBondContact O-CB 3.41Å; R1478-S1482 PolarHBondContact O-N 2.71Å; R1478-Y1559 HydrophobicContact CB-CD2 4.22Å; R1478-Y1559 HydrophobicContact CB-CE2 3.81Å; R1478-Y1559 HydrophobicContact CG-CE2 4.09Å |
| 1479 | R | 80.5 | Confident | 71.8 | Confident | 78 Ų | 78 | 33.6 Ų | 33.6 | 29% | 0.294 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.9 | -45.5 | 177.1 | -173.9 | 68 | 179 | 152.1 | -0.6 | 112 | N1434 I1437 D1438 V1475 A1476 L1477 Y1481 S1482 H1483 | N1434-R1479 HydrophobicContact CB-CG 4.16Å; N1434-R1479 VanDerWaalsContact OD1-CB 3.32Å; N1434-R1479 WeakPolarHBondContact OD1-CB 3.32Å; I1437-R1479 HydrophobicContact CB-CG 4.15Å; I1437-R1479 HydrophobicContact CD1-CB 4.02Å; I1437-R1479 HydrophobicContact CD1-CG 4.44Å; I1437-R1479 HydrophobicContact CG2-CB 4.33Å; I1437-R1479 HydrophobicContact CG2-CG 3.89Å; D1438-R1479 VanDerWaalsContact CG-NE 3.34Å; D1438-R1479 IonicContact OD1-CZ 2.9Å; D1438-R1479 IonicContact OD1-NE 3.94Å; D1438-R1479 PolarHBondContact OD1-NE 3.45Å; D1438-R1479 IonicContact OD1-NH2 2.8Å; D1438-R1479 PolarHBondContact OD1-NH2 3.41Å; D1438-R1479 IonicContact OD2-CZ 3.62Å; D1438-R1479 VanDerWaalsContact OD2-CZ 3.23Å; D1438-R1479 IonicContact OD2-NE 3.66Å; D1438-R1479 PolarHBondContact OD2-NE 3.23Å; D1438-R1479 IonicContact OD2-NH2 3.57Å; D1438-R1479 PolarHBondContact OD2-NH2 3.2Å; V1475-R1479 PolarHBondContact O-N 3.32Å; A1476-R1479 PolarHBondContact O-N 2.71Å; L1477-R1479 VanDerWaalsContact C-N 3.35Å; L1477-R1479 PolarHBondContact O-N 3.39Å; R1479-Y1481 PolarHBondContact O-N 3.3Å; R1479-S1482 PolarHBondContact O-N 2.96Å; R1479-H1483 PolarHBondContact O-N 3.16Å |
| 1480 | I | 79.1 | Confident | 71.2 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55 | -47 | 174.2 | -72.6 | 170.4 | 0 | 0 | 0 | 109.8 | I1437 A1476 L1477 H1483 L1484 L1521 F1525 L1563 | I1437-I1480 HydrophobicContact CD1-CD1 4.41Å; I1437-I1480 HydrophobicContact CD1-CG1 4.04Å; I1437-I1480 HydrophobicContact CG1-CG1 4.22Å; I1437-I1480 HydrophobicContact CG2-CB 4.48Å; I1437-I1480 HydrophobicContact CG2-CG1 3.57Å; A1476-I1480 WeakPolarHBondContact O-CG1 3.48Å; A1476-I1480 PolarHBondContact O-N 2.88Å; L1477-I1480 PolarHBondContact O-N 3.42Å; I1480-H1483 WeakPolarHBondContact O-CB 3.34Å; I1480-H1483 PolarHBondContact O-N 3.18Å; I1480-L1484 HydrophobicContact CG2-CD1 4.24Å; I1480-L1484 PolarHBondContact O-N 2.94Å; I1480-L1521 HydrophobicContact CG2-CD2 3.32Å; I1480-F1525 HydrophobicContact CD1-CD2 3.64Å; I1480-F1525 HydrophobicContact CD1-CE2 3.54Å; I1480-L1563 HydrophobicContact CG2-CD1 4.07Å; I1480-L1563 HydrophobicContact CG2-CD2 3.77Å; I1480-L1563 HydrophobicContact CG2-CG 4.5Å |
| 1481 | Y | 76 | Confident | 70.5 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 179.8 | -167.6 | -90.9 | 0 | 0 | 0 | 112.4 | L1477 R1478 R1479 H1483 L1484 H1485 I1503 I1506 Y1559 A1562 | L1477-Y1481 WeakPolarHBondContact O-CB 3.34Å; L1477-Y1481 PolarHBondContact O-N 3.19Å; R1478-Y1481 PolarHBondContact O-N 3Å; R1479-Y1481 PolarHBondContact O-N 3.3Å; Y1481-H1483 VanDerWaalsContact C-N 3.3Å; Y1481-H1483 PolarHBondContact O-N 3.43Å; Y1481-L1484 PolarHBondContact O-N 2.97Å; Y1481-H1485 PolarHBondContact O-N 3.1Å; Y1481-I1503 HydrophobicContact CE2-CD1 4.07Å; Y1481-I1503 HydrophobicContact CE2-CG1 3.82Å; Y1481-I1503 WeakPolarHBondContact OH-CA 3.23Å; Y1481-I1503 WeakPolarHBondContact OH-CG1 3.36Å; Y1481-I1506 HydrophobicContact CD1-CD1 4.37Å; Y1481-I1506 HydrophobicContact CE1-CD1 3.46Å; Y1481-I1506 VanDerWaalsContact CE1-CD1 3.46Å; Y1481-I1506 HydrophobicContact CE2-CB 4.37Å; Y1481-I1506 HydrophobicContact CE2-CD1 4.29Å; Y1481-I1506 HydrophobicContact CE2-CG2 3.95Å; Y1481-I1506 WeakPolarHBondContact OH-CB 3.08Å; Y1481-I1506 WeakPolarHBondContact OH-CD1 3.36Å; Y1481-Y1559 AromaticContact CD1-CD1 3.92Å; Y1481-Y1559 HydrophobicContact CD1-CD1 3.92Å; Y1481-Y1559 AromaticContact CD1-CE1 3.63Å; Y1481-Y1559 HydrophobicContact CD1-CE1 3.63Å; Y1481-Y1559 AromaticContact CD2-CD1 3.82Å; Y1481-Y1559 HydrophobicContact CD2-CD1 3.82Å; Y1481-Y1559 HydrophobicContact CD2-CE1 4.38Å; Y1481-Y1559 HydrophobicContact CE1-CE1 4.19Å; Y1481-Y1559 HydrophobicContact CE2-CD1 4.47Å; Y1481-Y1559 AromaticContact CG-CD1 3.52Å; Y1481-Y1559 HydrophobicContact CG-CD1 3.52Å; Y1481-Y1559 AromaticContact CG-CE1 3.74Å; Y1481-Y1559 HydrophobicContact CG-CE1 3.74Å; Y1481-A1562 HydrophobicContact CE2-CB 4.22Å |
| 1482 | S | 75.6 | Confident | 69.3 | Low | 56 Ų | 56 | 41.6 Ų | 41.6 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.2 | -35.2 | 173.5 | 179.5 | 0 | 0 | 0 | 0 | 112.7 | R1478 R1479 S1486 | R1478-S1482 WeakPolarHBondContact O-CB 3.41Å; R1478-S1482 PolarHBondContact O-N 2.71Å; R1479-S1482 PolarHBondContact O-N 2.96Å; S1482-S1486 PolarHBondContact O-N 3.46Å; S1482-S1486 VanDerWaalsContact O-N 3.16Å; S1482-S1486 PolarHBondContact O-OG 3.05Å |
| 1483 | H | 75.7 | Confident | 67.7 | Low | 21 Ų | 21 | 49.1 Ų | 49.1 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69 | -48.5 | 176 | -174.3 | 88.1 | 0 | 0 | 0 | 110.8 | L1441 N1442 R1479 I1480 Y1481 H1485 S1486 T1487 | L1441-H1483 HydrophobicContact CD1-CB 3.86Å; N1442-H1483 PolarHBondContact OD1-CE1 3.08Å; N1442-H1483 VanDerWaalsContact OD1-CE1 3.32Å; R1479-H1483 PolarHBondContact O-N 3.16Å; I1480-H1483 WeakPolarHBondContact O-CB 3.34Å; I1480-H1483 PolarHBondContact O-N 3.18Å; Y1481-H1483 VanDerWaalsContact C-N 3.3Å; Y1481-H1483 PolarHBondContact O-N 3.43Å; H1483-H1485 VanDerWaalsContact C-N 3.27Å; H1483-H1485 PolarHBondContact O-N 3.23Å; H1483-S1486 WeakPolarHBondContact CA-OG 3.41Å; H1483-S1486 PolarHBondContact O-N 3.3Å; H1483-S1486 PolarHBondContact O-OG 3.41Å; H1483-T1487 PolarHBondContact NE2-OG1 3.29Å; H1483-T1487 PolarHBondContact O-N 3.26Å; H1483-T1487 PolarHBondContact O-OG1 3.41Å |
| 1484 | L | 74.7 | Confident | 66.1 | Low | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.8 | -44.9 | 174.1 | -81.5 | 170.7 | 0 | 0 | 0 | 111.9 | I1480 Y1481 S1486 T1487 I1488 L1513 I1517 L1521 L1563 I1566 | I1480-L1484 HydrophobicContact CG2-CD1 4.24Å; I1480-L1484 PolarHBondContact O-N 2.94Å; Y1481-L1484 PolarHBondContact O-N 2.97Å; L1484-S1486 PolarHBondContact O-N 2.89Å; L1484-T1487 PolarHBondContact O-N 3.14Å; L1484-I1488 VanDerWaalsContact O-CB 3.26Å; L1484-I1488 WeakPolarHBondContact O-CB 3.12Å; L1484-I1488 WeakPolarHBondContact O-CD1 3.23Å; L1484-I1488 VanDerWaalsContact O-CG1 3.25Å; L1484-I1488 WeakPolarHBondContact O-CG1 3.43Å; L1484-I1488 PolarHBondContact O-N 2.86Å; L1484-L1513 HydrophobicContact CD2-CD1 3.7Å; L1484-L1513 HydrophobicContact CD2-CD2 3.75Å; L1484-L1513 HydrophobicContact CD2-CG 4.38Å; L1484-I1517 HydrophobicContact CD2-CG2 4.44Å; L1484-L1521 HydrophobicContact CD1-CD1 4.19Å; L1484-L1521 HydrophobicContact CD2-CD1 3.93Å; L1484-L1521 HydrophobicContact CG-CD1 4.36Å; L1484-L1563 HydrophobicContact CD1-CD2 4.07Å; L1484-I1566 HydrophobicContact CD1-CD1 3.94Å |
| 1485 | H | 70.9 | Confident | 64.4 | Low | 56 Ų | 56 | 65.9 Ų | 65.9 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.5 | -51.1 | 174.3 | -178.2 | -63.3 | 0 | 0 | 0 | 111.8 | Y1481 H1483 T1487 I1488 A1489 I1500 I1506 | Y1481-H1485 PolarHBondContact O-N 3.1Å; H1483-H1485 VanDerWaalsContact C-N 3.27Å; H1483-H1485 PolarHBondContact O-N 3.23Å; H1485-T1487 VanDerWaalsContact C-N 3.34Å; H1485-T1487 PolarHBondContact O-N 2.93Å; H1485-I1488 PolarHBondContact O-N 2.86Å; H1485-A1489 VanDerWaalsContact O-CB 3.27Å; H1485-A1489 WeakPolarHBondContact O-CB 3.44Å; H1485-A1489 PolarHBondContact O-N 2.76Å; H1485-I1500 PolarHBondContact CD2-O 3.14Å; H1485-I1500 WeakPolarHBondContact NE2-CB 3.29Å; H1485-I1500 PolarHBondContact NE2-O 2.85Å; H1485-I1506 HydrophobicContact CB-CD1 3.66Å |
| 1486 | S | 69.8 | Low | 62.7 | Low | 48 Ų | 48 | 72.1 Ų | 72.1 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 179.8 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | S1482 H1483 L1484 H1490 | S1482-S1486 PolarHBondContact O-N 3.46Å; S1482-S1486 VanDerWaalsContact O-N 3.16Å; S1482-S1486 PolarHBondContact O-OG 3.05Å; H1483-S1486 WeakPolarHBondContact CA-OG 3.41Å; H1483-S1486 PolarHBondContact O-N 3.3Å; H1483-S1486 PolarHBondContact O-OG 3.41Å; L1484-S1486 PolarHBondContact O-N 2.89Å; S1486-H1490 PolarHBondContact O-CD2 3.22Å; S1486-H1490 PolarHBondContact O-N 3.06Å |
| 1487 | T | 69.3 | Low | 60.9 | Low | 44 Ų | 44 | 76.2 Ų | 76.2 | 27% | 0.27 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.1 | -33.5 | -177 | -38.4 | 0 | 0 | 0 | 0 | 112.2 | H1483 L1484 H1485 S1491 I1517 | H1483-T1487 PolarHBondContact NE2-OG1 3.29Å; H1483-T1487 PolarHBondContact O-N 3.26Å; H1483-T1487 PolarHBondContact O-OG1 3.41Å; L1484-T1487 PolarHBondContact O-N 3.14Å; H1485-T1487 VanDerWaalsContact C-N 3.34Å; H1485-T1487 PolarHBondContact O-N 2.93Å; T1487-S1491 PolarHBondContact O-N 3.02Å; T1487-S1491 PolarHBondContact O-OG 2.97Å; T1487-I1517 HydrophobicContact CG2-CD1 3.75Å |
| 1488 | I | 64.5 | Low | 58.8 | Low | 9 Ų | 9 | 81.5 Ų | 81.5 | 5% | 0.046 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -74.6 | -43.8 | 176.9 | -74 | 167.6 | 0 | 0 | 0 | 111.8 | L1484 H1485 H1490 S1491 T1492 I1506 A1509 | L1484-I1488 VanDerWaalsContact O-CB 3.26Å; L1484-I1488 WeakPolarHBondContact O-CB 3.12Å; L1484-I1488 WeakPolarHBondContact O-CD1 3.23Å; L1484-I1488 VanDerWaalsContact O-CG1 3.25Å; L1484-I1488 WeakPolarHBondContact O-CG1 3.43Å; L1484-I1488 PolarHBondContact O-N 2.86Å; H1485-I1488 PolarHBondContact O-N 2.86Å; I1488-H1490 PolarHBondContact O-N 2.75Å; I1488-H1490 VanDerWaalsContact O-N 3.13Å; I1488-S1491 WeakPolarHBondContact CA-OG 3.31Å; I1488-S1491 PolarHBondContact O-N 3.09Å; I1488-S1491 PolarHBondContact O-OG 3.4Å; I1488-T1492 PolarHBondContact O-N 2.98Å; I1488-T1492 PolarHBondContact O-OG1 3.37Å; I1488-I1506 HydrophobicContact CD1-CG2 3.98Å; I1488-A1509 HydrophobicContact CB-CB 4.46Å; I1488-A1509 HydrophobicContact CD1-CB 4.29Å; I1488-A1509 HydrophobicContact CG1-CB 4.42Å; I1488-A1509 HydrophobicContact CG2-CB 3.27Å |
| 1489 | A | 56 | Low | 57 | Low | 41 Ų | 41 | 81 Ų | 81 | 34% | 0.339 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.1 | -25.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1485 | H1485-A1489 VanDerWaalsContact O-CB 3.27Å; H1485-A1489 WeakPolarHBondContact O-CB 3.44Å; H1485-A1489 PolarHBondContact O-N 2.76Å |
| 1490 | H | 50.7 | Low | 55.3 | Low | 144 Ų | 144 | 78.7 Ų | 78.7 | 67% | 0.667 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -80.3 | -27.2 | 173.5 | -72.1 | -47.5 | 0 | 0 | 0 | 114.6 | S1486 I1488 | S1486-H1490 PolarHBondContact O-CD2 3.22Å; S1486-H1490 PolarHBondContact O-N 3.06Å; I1488-H1490 PolarHBondContact O-N 2.75Å; I1488-H1490 VanDerWaalsContact O-N 3.13Å |
| 1491 | S | 49 | Very low | 54 | Low | 87 Ų | 87 | 86.6 Ų | 86.6 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -89 | -21.1 | -179.9 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | T1487 I1488 | T1487-S1491 PolarHBondContact O-N 3.02Å; T1487-S1491 PolarHBondContact O-OG 2.97Å; I1488-S1491 WeakPolarHBondContact CA-OG 3.31Å; I1488-S1491 PolarHBondContact O-N 3.09Å; I1488-S1491 PolarHBondContact O-OG 3.4Å |
| 1492 | T | 42.4 | Very low | 53.8 | Low | 70 Ų | 70 | 86.8 Ų | 86.8 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -98.4 | 101.3 | 176.1 | 48.4 | 0 | 0 | 0 | 0 | 109.4 | I1488 D1494 | I1488-T1492 PolarHBondContact O-N 2.98Å; I1488-T1492 PolarHBondContact O-OG1 3.37Å; T1492-D1494 PolarHBondContact O-N 3.42Å |
| 1493 | M | 36.7 | Very low | 53.8 | Low | 170 Ų | 170 | 84.1 Ų | 84.1 | 84% | 0.837 | 44% | 0.444 | S | S | * | . | trans | -69.4 | 26.3 | -171.3 | -80.1 | -146.3 | 177.8 | 0 | 0 | 116.7 | ||||
| 1494 | D | 38.2 | Very low | 53.8 | Low | 154 Ų | 154 | 83.1 Ų | 83.1 | 82% | 0.824 | 44% | 0.44 | S | S | * | . | trans | -97.6 | 105.2 | 176.7 | -93.5 | -24.8 | 0 | 0 | 0 | 111.4 | T1492 D1496 | T1492-D1494 PolarHBondContact O-N 3.42Å; D1494-D1496 PolarHBondContact O-N 2.91Å; D1494-D1496 VanDerWaalsContact O-N 3.16Å | ||
| 1495 | Y | 38.2 | Very low | 53.7 | Low | 223 Ų | 223 | 85.6 Ų | 85.6 | 88% | 0.875 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 0.2 | -173.1 | -91.4 | -83.6 | 0 | 0 | 0 | 116 | ||
| 1496 | D | 38.4 | Very low | 53.9 | Low | 154 Ų | 154 | 83 Ų | 83 | 82% | 0.824 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 7.5 | -162.5 | -79.4 | -20 | 0 | 0 | 0 | 116.3 | D1494 | D1494-D1496 PolarHBondContact O-N 2.91Å; D1494-D1496 VanDerWaalsContact O-N 3.16Å |
| 1497 | N | 36.6 | Very low | 54.4 | Low | 89 Ų | 89 | 80.7 Ų | 80.7 | 48% | 0.476 | 42% | 0.423 | S | S | . | . | trans | -129.8 | 88.2 | 179.2 | -148 | 8.7 | 0 | 0 | 0 | 112.9 | D1499 | N1497-D1499 PolarHBondContact O-N 3.13Š| ||
| 1498 | P | 35.1 | Very low | 54.7 | Low | 111 Ų | 111 | 81.2 Ų | 81.2 | 72% | 0.721 | 42% | 0.424 | S | S | * | . | trans | -73.6 | -7.2 | -179.4 | 8.2 | 2 | 0 | 0 | 0 | 114.6 | ||||
| 1499 | D | 38.7 | Very low | 55.1 | Low | 129 Ų | 129 | 82 Ų | 82 | 69% | 0.69 | 43% | 0.432 | S | S | * | . | trans | -109.5 | 47.1 | -170.3 | -63.8 | -28.5 | 0 | 0 | 0 | 113 | N1497 E1501 | N1497-D1499 PolarHBondContact O-N 3.13Å; D1499-E1501 PolarHBondContact O-N 3Å | ||
| 1500 | I | 44.9 | Very low | 56.1 | Low | 28 Ų | 28 | 80 Ų | 80 | 14% | 0.144 | 42% | 0.416 | C | S | . | . | trans | -75.8 | 50.6 | 176.3 | -48.7 | 172.7 | 0 | 0 | 0 | 110.6 | H1485 D1502 E1505 I1506 | H1485-I1500 PolarHBondContact CD2-O 3.14Å; H1485-I1500 WeakPolarHBondContact NE2-CB 3.29Å; H1485-I1500 PolarHBondContact NE2-O 2.85Å; I1500-D1502 PolarHBondContact O-N 3.42Å; I1500-E1505 HydrophobicContact CG2-CB 3.94Å; I1500-I1506 HydrophobicContact CG2-CD1 4.45Å; I1500-I1506 HydrophobicContact CG2-CG1 4.11Å | ||
| 1501 | E | 53.5 | Low | 57.1 | Low | 167 Ų | 167 | 77.9 Ų | 77.9 | 78% | 0.78 | 41% | 0.405 | S | S | * | . | trans | -78.9 | -5.2 | 167.4 | -73.9 | -166.5 | 160.8 | 0 | 0 | 112.7 | D1499 R1558 | D1499-E1501 PolarHBondContact O-N 3Å; E1501-R1558 PolarHBondContact O-NH2 3.05Å | ||
| 1502 | D | 69.9 | Low | 58 | Low | 20 Ų | 20 | 82.1 Ų | 82.1 | 11% | 0.107 | 42% | 0.415 | C | S | . | . | trans | -79 | 118.1 | -178.2 | -170.3 | -21 | 0 | 0 | 0 | 112 | I1500 N1504 E1505 K1711 | I1500-D1502 PolarHBondContact O-N 3.42Å; D1502-N1504 PolarHBondContact O-N 3.47Å; D1502-N1504 VanDerWaalsContact O-N 3.14Å; D1502-N1504 VanDerWaalsContact OD1-CB 3.28Å; D1502-N1504 WeakPolarHBondContact OD1-CB 3.4Å; D1502-N1504 PolarHBondContact OD1-N 3.16Å; D1502-N1504 PolarHBondContact OD1-ND2 2.96Å; D1502-E1505 PolarHBondContact O-N 3.4Å; D1502-E1505 VanDerWaalsContact O-N 3.15Å; D1502-K1711 IonicContact OD2-NZ 2.72Å; D1502-K1711 PolarHBondContact OD2-NZ 2.93Å | ||
| 1503 | I | 75.9 | Confident | 59.2 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.3 | -27 | -178.1 | -147.5 | 143.7 | 0 | 0 | 0 | 113.9 | Y1481 E1505 I1507 R1558 A1562 A1614 A1615 E1662 | Y1481-I1503 HydrophobicContact CE2-CD1 4.07Å; Y1481-I1503 HydrophobicContact CE2-CG1 3.82Å; Y1481-I1503 WeakPolarHBondContact OH-CA 3.23Å; Y1481-I1503 WeakPolarHBondContact OH-CG1 3.36Å; I1503-E1505 VanDerWaalsContact C-N 3.32Å; I1503-E1505 PolarHBondContact O-N 2.57Å; I1503-I1507 HydrophobicContact CG1-CD1 4.12Å; I1503-I1507 HydrophobicContact CG2-CD1 4.38Å; I1503-I1507 VanDerWaalsContact O-CG1 3.23Å; I1503-I1507 WeakPolarHBondContact O-CG1 3.21Å; I1503-I1507 PolarHBondContact O-N 3.34Å; I1503-I1507 VanDerWaalsContact O-N 3.12Å; I1503-R1558 HydrophobicContact CD1-CG 3.57Å; I1503-A1562 HydrophobicContact CD1-CB 3.64Å; I1503-A1562 HydrophobicContact CG1-CB 3.7Å; I1503-A1614 HydrophobicContact CG2-CB 4.31Å; I1503-A1615 HydrophobicContact CD1-CB 4.14Å; I1503-E1662 WeakPolarHBondContact CB-OE1 3.32Å; I1503-E1662 HydrophobicContact CG2-CG 4.25Å; I1503-E1662 WeakPolarHBondContact CG2-OE1 3.28Å; I1503-E1662 PolarHBondContact N-OE1 3.11Å |
| 1504 | N | 75.6 | Confident | 60.7 | Low | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.6 | -31.6 | -178.5 | -62.4 | -68.5 | 0 | 0 | 0 | 112 | D1502 N1508 E1662 A1666 | D1502-N1504 PolarHBondContact O-N 3.47Å; D1502-N1504 VanDerWaalsContact O-N 3.14Å; D1502-N1504 VanDerWaalsContact OD1-CB 3.28Å; D1502-N1504 WeakPolarHBondContact OD1-CB 3.4Å; D1502-N1504 PolarHBondContact OD1-N 3.16Å; D1502-N1504 PolarHBondContact OD1-ND2 2.96Å; N1504-N1508 WeakPolarHBondContact O-CB 3.11Å; N1504-N1508 PolarHBondContact O-N 3.37Å; N1504-N1508 VanDerWaalsContact O-N 3.1Å; N1504-N1508 PolarHBondContact O-ND2 3.24Å; N1504-N1508 VanDerWaalsContact O-ND2 3.07Å; N1504-E1662 PolarHBondContact ND2-O 2.92Å; N1504-A1666 WeakPolarHBondContact OD1-CA 3.4Å; N1504-A1666 WeakPolarHBondContact OD1-CB 3.5Å |
| 1505 | E | 74.2 | Confident | 62.1 | Low | 53 Ų | 53 | 71 Ų | 71 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -72.6 | -43.4 | 179.9 | -73.2 | -173.5 | -174.3 | 0 | 0 | 111.4 | I1500 D1502 I1503 N1508 A1509 K1711 | I1500-E1505 HydrophobicContact CG2-CB 3.94Å; D1502-E1505 PolarHBondContact O-N 3.4Å; D1502-E1505 VanDerWaalsContact O-N 3.15Å; I1503-E1505 VanDerWaalsContact C-N 3.32Å; I1503-E1505 PolarHBondContact O-N 2.57Å; E1505-N1508 PolarHBondContact O-N 3.25Å; E1505-N1508 VanDerWaalsContact O-N 3.16Å; E1505-A1509 WeakPolarHBondContact O-CB 3.11Å; E1505-A1509 PolarHBondContact O-N 3.35Å; E1505-K1711 WeakPolarHBondContact OE1-CE 3.14Å; E1505-K1711 IonicContact OE1-NZ 3Å; E1505-K1711 PolarHBondContact OE1-NZ 3.31Å |
| 1506 | I | 75.2 | Confident | 63.6 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -46 | 177.1 | -70.5 | 174.6 | 0 | 0 | 0 | 111.1 | Y1481 H1485 I1488 I1500 N1508 A1509 S1510 | Y1481-I1506 HydrophobicContact CD1-CD1 4.37Å; Y1481-I1506 HydrophobicContact CE1-CD1 3.46Å; Y1481-I1506 VanDerWaalsContact CE1-CD1 3.46Å; Y1481-I1506 HydrophobicContact CE2-CB 4.37Å; Y1481-I1506 HydrophobicContact CE2-CD1 4.29Å; Y1481-I1506 HydrophobicContact CE2-CG2 3.95Å; Y1481-I1506 WeakPolarHBondContact OH-CB 3.08Å; Y1481-I1506 WeakPolarHBondContact OH-CD1 3.36Å; H1485-I1506 HydrophobicContact CB-CD1 3.66Å; I1488-I1506 HydrophobicContact CD1-CG2 3.98Å; I1500-I1506 HydrophobicContact CG2-CD1 4.45Å; I1500-I1506 HydrophobicContact CG2-CG1 4.11Å; I1506-N1508 PolarHBondContact O-N 3.38Å; I1506-A1509 PolarHBondContact O-N 3.01Å; I1506-S1510 VanDerWaalsContact O-CB 3.3Å; I1506-S1510 WeakPolarHBondContact O-CB 3.4Å; I1506-S1510 PolarHBondContact O-N 2.82Å; I1506-S1510 PolarHBondContact O-OG 2.86Å |
| 1507 | I | 79.2 | Confident | 65.2 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -26.8 | 176.3 | -63.1 | 169.7 | 0 | 0 | 0 | 111.7 | I1503 S1510 A1562 T1565 I1566 Q1569 R1618 | I1503-I1507 HydrophobicContact CG1-CD1 4.12Å; I1503-I1507 HydrophobicContact CG2-CD1 4.38Å; I1503-I1507 VanDerWaalsContact O-CG1 3.23Å; I1503-I1507 WeakPolarHBondContact O-CG1 3.21Å; I1503-I1507 PolarHBondContact O-N 3.34Å; I1503-I1507 VanDerWaalsContact O-N 3.12Å; I1507-S1510 VanDerWaalsContact CA-OG 3.29Å; I1507-S1510 WeakPolarHBondContact CA-OG 3.17Å; I1507-S1510 PolarHBondContact O-OG 3.1Å; I1507-A1562 HydrophobicContact CD1-CB 3.99Å; I1507-A1562 HydrophobicContact CG1-CB 4.3Å; I1507-T1565 HydrophobicContact CG2-CG2 3.62Å; I1507-I1566 HydrophobicContact CG1-CG1 4.45Å; I1507-Q1569 PolarHBondContact O-NE2 2.72Å; I1507-Q1569 PolarHBondContact O-OE1 2.96Å; I1507-R1618 HydrophobicContact CD1-CB 4.15Å; I1507-R1618 HydrophobicContact CD1-CG 4.31Å; I1507-R1618 VanDerWaalsContact CG2-NH2 3.25Å |
| 1508 | N | 76.4 | Confident | 66.9 | Low | 55 Ų | 55 | 51.5 Ų | 51.5 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -77.7 | -43.6 | 175.9 | -77.4 | -25.2 | 0 | 0 | 0 | 111.9 | N1504 E1505 I1506 S1510 K1511 R1618 Q1669 | N1504-N1508 WeakPolarHBondContact O-CB 3.11Å; N1504-N1508 PolarHBondContact O-N 3.37Å; N1504-N1508 VanDerWaalsContact O-N 3.1Å; N1504-N1508 PolarHBondContact O-ND2 3.24Å; N1504-N1508 VanDerWaalsContact O-ND2 3.07Å; E1505-N1508 PolarHBondContact O-N 3.25Å; E1505-N1508 VanDerWaalsContact O-N 3.16Å; I1506-N1508 PolarHBondContact O-N 3.38Å; N1508-S1510 VanDerWaalsContact C-N 3.32Å; N1508-K1511 PolarHBondContact O-N 3.12Å; N1508-R1618 PolarHBondContact OD1-NH2 3.39Å; N1508-Q1669 PolarHBondContact ND2-NE2 3.4Å |
| 1509 | A | 73.1 | Confident | 68.8 | Low | 26 Ų | 26 | 49.4 Ų | 49.4 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73 | -26 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1488 E1505 I1506 K1511 H1512 | I1488-A1509 HydrophobicContact CB-CB 4.46Å; I1488-A1509 HydrophobicContact CD1-CB 4.29Å; I1488-A1509 HydrophobicContact CG1-CB 4.42Å; I1488-A1509 HydrophobicContact CG2-CB 3.27Å; E1505-A1509 WeakPolarHBondContact O-CB 3.11Å; E1505-A1509 PolarHBondContact O-N 3.35Å; I1506-A1509 PolarHBondContact O-N 3.01Å; A1509-K1511 PolarHBondContact O-N 3.02Å; A1509-K1511 VanDerWaalsContact O-N 3.12Å; A1509-H1512 PolarHBondContact O-N 3.14Å |
| 1510 | S | 76.3 | Confident | 70.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -61.6 | -17 | 175.6 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | I1506 I1507 N1508 H1512 L1513 Q1569 | I1506-S1510 VanDerWaalsContact O-CB 3.3Å; I1506-S1510 WeakPolarHBondContact O-CB 3.4Å; I1506-S1510 PolarHBondContact O-N 2.82Å; I1506-S1510 PolarHBondContact O-OG 2.86Å; I1507-S1510 VanDerWaalsContact CA-OG 3.29Å; I1507-S1510 WeakPolarHBondContact CA-OG 3.17Å; I1507-S1510 PolarHBondContact O-OG 3.1Å; N1508-S1510 VanDerWaalsContact C-N 3.32Å; S1510-H1512 PolarHBondContact O-N 2.82Å; S1510-H1512 VanDerWaalsContact O-N 3.14Å; S1510-L1513 WeakPolarHBondContact O-CB 3.49Å; S1510-L1513 PolarHBondContact O-N 3.04Å; S1510-Q1569 PolarHBondContact OG-OE1 2.7Å |
| 1511 | K | 71.3 | Confident | 71.9 | Confident | 99 Ų | 99 | 44 Ų | 44 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -58.5 | -23.9 | 174.6 | -71 | -173.6 | 174.1 | -169.6 | 0 | 113.5 | N1508 A1509 | N1508-K1511 PolarHBondContact O-N 3.12Å; A1509-K1511 PolarHBondContact O-N 3.02Å; A1509-K1511 VanDerWaalsContact O-N 3.12Å |
| 1512 | H | 67.3 | Low | 72.8 | Confident | 176 Ų | 176 | 37.5 Ų | 37.5 | 82% | 0.815 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -109.7 | 17.2 | 179 | -57.6 | -65.8 | 0 | 0 | 0 | 112.8 | A1509 S1510 N1514 | A1509-H1512 PolarHBondContact O-N 3.14Å; S1510-H1512 PolarHBondContact O-N 2.82Å; S1510-H1512 VanDerWaalsContact O-N 3.14Å; H1512-N1514 PolarHBondContact O-N 3.38Å |
| 1513 | L | 69 | Low | 72.9 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 9% | 0.089 | 21% | 0.21 | C | C | . | . | trans | -59.1 | 135.5 | 175.3 | -91.7 | 156.7 | 0 | 0 | 0 | 111 | L1484 S1510 I1517 I1566 Q1570 | L1484-L1513 HydrophobicContact CD2-CD1 3.7Å; L1484-L1513 HydrophobicContact CD2-CD2 3.75Å; L1484-L1513 HydrophobicContact CD2-CG 4.38Å; S1510-L1513 WeakPolarHBondContact O-CB 3.49Å; S1510-L1513 PolarHBondContact O-N 3.04Å; L1513-I1517 HydrophobicContact CD2-CB 4.26Å; L1513-I1517 HydrophobicContact CD2-CD1 4.21Å; L1513-I1517 HydrophobicContact CD2-CG2 3.96Å; L1513-I1566 HydrophobicContact CD1-CG2 4.08Å; L1513-Q1570 PolarHBondContact O-NE2 3.5Å | ||
| 1514 | N | 68.6 | Low | 72.7 | Confident | 98 Ų | 98 | 40.6 Ų | 40.6 | 52% | 0.524 | 21% | 0.213 | S | C | . | . | trans | -57 | 136 | 172.8 | -174.8 | -7.8 | 0 | 0 | 0 | 110.6 | H1512 S1516 I1517 F1518 | H1512-N1514 PolarHBondContact O-N 3.38Å; N1514-S1516 PolarHBondContact O-N 2.92Å; N1514-S1516 VanDerWaalsContact O-N 3.12Å; N1514-S1516 PolarHBondContact OD1-N 3.39Å; N1514-I1517 PolarHBondContact O-N 3.38Å; N1514-I1517 VanDerWaalsContact O-N 3.1Å; N1514-F1518 PolarHBondContact O-N 3.12Å | ||
| 1515 | S | 67.5 | Low | 72.7 | Confident | 45 Ų | 45 | 41.3 Ų | 41.3 | 32% | 0.315 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -52.4 | -33.4 | 178.3 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | F1518 N1519 | S1515-F1518 PolarHBondContact O-N 3.36Å; S1515-N1519 WeakPolarHBondContact O-CB 3.32Å; S1515-N1519 VanDerWaalsContact O-CG 3.22Å; S1515-N1519 PolarHBondContact O-N 2.83Å; S1515-N1519 PolarHBondContact O-ND2 3.25Å |
| 1516 | S | 69.5 | Low | 72.9 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59 | -50.9 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 113.2 | N1514 F1518 K1520 | N1514-S1516 PolarHBondContact O-N 2.92Å; N1514-S1516 VanDerWaalsContact O-N 3.12Å; N1514-S1516 PolarHBondContact OD1-N 3.39Å; S1516-F1518 VanDerWaalsContact C-N 3.33Å; S1516-K1520 WeakPolarHBondContact O-CG 3.34Å; S1516-K1520 PolarHBondContact O-N 3.32Å |
| 1517 | I | 72.2 | Confident | 73.2 | Confident | 24 Ų | 24 | 40.7 Ų | 40.7 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.4 | -40.3 | -179.6 | -62.6 | 169.1 | 0 | 0 | 0 | 109.8 | L1484 T1487 L1513 N1514 K1520 L1521 | L1484-I1517 HydrophobicContact CD2-CG2 4.44Å; T1487-I1517 HydrophobicContact CG2-CD1 3.75Å; L1513-I1517 HydrophobicContact CD2-CB 4.26Å; L1513-I1517 HydrophobicContact CD2-CD1 4.21Å; L1513-I1517 HydrophobicContact CD2-CG2 3.96Å; N1514-I1517 PolarHBondContact O-N 3.38Å; N1514-I1517 VanDerWaalsContact O-N 3.1Å; I1517-K1520 PolarHBondContact O-N 3.34Å; I1517-L1521 HydrophobicContact CG2-CD1 4.05Å; I1517-L1521 HydrophobicContact CG2-CG 4.44Å; I1517-L1521 WeakPolarHBondContact O-CG 3.21Å; I1517-L1521 PolarHBondContact O-N 3.48Å |
| 1518 | F | 72.3 | Confident | 73.4 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 179.1 | -174.5 | -97.8 | 0 | 0 | 0 | 112.4 | N1514 S1515 S1516 K1520 L1521 N1522 Q1567 Q1570 | N1514-F1518 PolarHBondContact O-N 3.12Å; S1515-F1518 PolarHBondContact O-N 3.36Å; S1516-F1518 VanDerWaalsContact C-N 3.33Å; F1518-K1520 VanDerWaalsContact C-N 3.28Å; F1518-K1520 PolarHBondContact O-N 2.78Å; F1518-L1521 WeakPolarHBondContact O-CB 3.31Å; F1518-L1521 PolarHBondContact O-N 2.77Å; F1518-N1522 PolarHBondContact O-N 3.15Å; F1518-Q1567 HydrophobicContact CE2-CG 4.27Å; F1518-Q1567 HydrophobicContact CZ-CB 4.5Å; F1518-Q1567 HydrophobicContact CZ-CG 4.37Å; F1518-Q1570 HydrophobicContact CD1-CB 4.34Å; F1518-Q1570 HydrophobicContact CD1-CG 4.47Å; F1518-Q1570 HydrophobicContact CD2-CB 4.12Å; F1518-Q1570 VanDerWaalsContact CD2-CD 3.48Å; F1518-Q1570 HydrophobicContact CD2-CG 3.6Å; F1518-Q1570 HydrophobicContact CE1-CB 3.86Å; F1518-Q1570 HydrophobicContact CE1-CG 4.38Å; F1518-Q1570 HydrophobicContact CE2-CB 3.6Å; F1518-Q1570 HydrophobicContact CE2-CG 3.48Å; F1518-Q1570 VanDerWaalsContact CE2-CG 3.48Å; F1518-Q1570 HydrophobicContact CG-CB 4.46Å; F1518-Q1570 HydrophobicContact CG-CG 4.1Å; F1518-Q1570 VanDerWaalsContact CG-OE1 3.25Å; F1518-Q1570 HydrophobicContact CZ-CB 3.46Å; F1518-Q1570 VanDerWaalsContact CZ-CB 3.46Å; F1518-Q1570 HydrophobicContact CZ-CG 3.92Å |
| 1519 | N | 73.6 | Confident | 73.4 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 176.9 | -75.1 | -22.7 | 0 | 0 | 0 | 111.4 | S1515 N1522 T1523 | S1515-N1519 WeakPolarHBondContact O-CB 3.32Å; S1515-N1519 VanDerWaalsContact O-CG 3.22Å; S1515-N1519 PolarHBondContact O-N 2.83Å; S1515-N1519 PolarHBondContact O-ND2 3.25Å; N1519-N1522 PolarHBondContact O-N 3.15Å; N1519-T1523 WeakPolarHBondContact O-CG2 3.16Å; N1519-T1523 PolarHBondContact O-N 3.09Å; N1519-T1523 PolarHBondContact O-OG1 3.34Å |
| 1520 | K | 74.7 | Confident | 73.7 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 175 | -70 | 167.9 | 172.3 | 179.8 | 0 | 112.5 | A1440 L1441 D1443 S1516 I1517 F1518 N1522 T1523 L1524 | A1440-K1520 WeakPolarHBondContact O-CD 3.49Å; L1441-K1520 HydrophobicContact CD2-CB 4.13Å; L1441-K1520 PolarHBondContact O-NZ 3.37Å; D1443-K1520 WeakPolarHBondContact O-CE 3.38Å; D1443-K1520 PolarHBondContact O-NZ 2.92Å; S1516-K1520 WeakPolarHBondContact O-CG 3.34Å; S1516-K1520 PolarHBondContact O-N 3.32Å; I1517-K1520 PolarHBondContact O-N 3.34Å; F1518-K1520 VanDerWaalsContact C-N 3.28Å; F1518-K1520 PolarHBondContact O-N 2.78Å; K1520-N1522 VanDerWaalsContact C-N 3.31Å; K1520-N1522 PolarHBondContact O-N 2.97Å; K1520-T1523 WeakPolarHBondContact CA-OG1 3.15Å; K1520-T1523 PolarHBondContact O-N 3.19Å; K1520-T1523 PolarHBondContact O-OG1 3.47Å; K1520-L1524 PolarHBondContact O-N 3.31Å; K1520-L1524 VanDerWaalsContact O-N 3.08Å |
| 1521 | L | 73.7 | Confident | 74.1 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 176 | -73.5 | 167.6 | 0 | 0 | 0 | 111.9 | L1441 I1480 L1484 I1517 F1518 L1524 F1525 L1563 | L1441-L1521 HydrophobicContact CD2-CD2 3.93Å; L1441-L1521 HydrophobicContact CD2-CG 4.13Å; I1480-L1521 HydrophobicContact CG2-CD2 3.32Å; L1484-L1521 HydrophobicContact CD1-CD1 4.19Å; L1484-L1521 HydrophobicContact CD2-CD1 3.93Å; L1484-L1521 HydrophobicContact CG-CD1 4.36Å; I1517-L1521 HydrophobicContact CG2-CD1 4.05Å; I1517-L1521 HydrophobicContact CG2-CG 4.44Å; I1517-L1521 WeakPolarHBondContact O-CG 3.21Å; I1517-L1521 PolarHBondContact O-N 3.48Å; F1518-L1521 WeakPolarHBondContact O-CB 3.31Å; F1518-L1521 PolarHBondContact O-N 2.77Å; L1521-L1524 PolarHBondContact O-N 3.32Å; L1521-F1525 PolarHBondContact O-N 3.27Å; L1521-L1563 HydrophobicContact CD2-CD2 4.38Å |
| 1522 | N | 73.5 | Confident | 74.3 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.3 | -34.5 | 179.1 | -172.1 | 46.8 | 0 | 0 | 0 | 112.7 | F1518 N1519 K1520 L1524 F1525 S1526 M1578 | F1518-N1522 PolarHBondContact O-N 3.15Å; N1519-N1522 PolarHBondContact O-N 3.15Å; K1520-N1522 VanDerWaalsContact C-N 3.31Å; K1520-N1522 PolarHBondContact O-N 2.97Å; N1522-L1524 VanDerWaalsContact C-N 3.34Å; N1522-F1525 CarbonylContact O-C 3.49Å; N1522-S1526 WeakPolarHBondContact O-CA 3.07Å; N1522-S1526 PolarHBondContact O-N 3.41Å; N1522-S1526 VanDerWaalsContact O-N 3.12Å; N1522-S1526 WeakPolarHBondContact OD1-CA 3.33Å; N1522-M1578 HydrophobicContact CB-SD 4.37Å; N1522-M1578 PolarHBondContact ND2-SD 3.1Å; N1522-M1578 PolarHBondContact OD1-SD 3.02Å; N1522-M1578 VanDerWaalsContact OD1-SD 3.35Å |
| 1523 | T | 71.2 | Confident | 74.6 | Confident | 71 Ų | 71 | 37.3 Ų | 37.3 | 44% | 0.436 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.5 | -35.1 | 171.7 | 53.2 | 0 | 0 | 0 | 0 | 112.9 | N1519 K1520 | N1519-T1523 WeakPolarHBondContact O-CG2 3.16Å; N1519-T1523 PolarHBondContact O-N 3.09Å; N1519-T1523 PolarHBondContact O-OG1 3.34Å; K1520-T1523 WeakPolarHBondContact CA-OG1 3.15Å; K1520-T1523 PolarHBondContact O-N 3.19Å; K1520-T1523 PolarHBondContact O-OG1 3.47Å |
| 1524 | L | 71.4 | Confident | 74.7 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.4 | -48.5 | 177 | -73.5 | 168.9 | 0 | 0 | 0 | 112.1 | A1440 L1441 Y1457 L1460 K1520 L1521 N1522 | A1440-L1524 HydrophobicContact CB-CD1 4.05Å; A1440-L1524 HydrophobicContact CB-CD2 4.06Å; A1440-L1524 HydrophobicContact CB-CG 4.43Å; L1441-L1524 HydrophobicContact CD2-CD1 4.19Å; L1441-L1524 HydrophobicContact CG-CD1 4.42Å; Y1457-L1524 HydrophobicContact CE1-CD2 4.25Å; L1460-L1524 HydrophobicContact CD2-CD2 4.08Å; K1520-L1524 PolarHBondContact O-N 3.31Å; K1520-L1524 VanDerWaalsContact O-N 3.08Å; L1521-L1524 PolarHBondContact O-N 3.32Å; N1522-L1524 VanDerWaalsContact C-N 3.34Å |
| 1525 | F | 75.6 | Confident | 75 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -138.9 | 93.8 | 179 | -68.7 | -82.6 | 0 | 0 | 0 | 110.7 | T1464 L1473 A1476 L1477 I1480 L1521 N1522 L1530 Q1567 | T1464-F1525 HydrophobicContact CG2-CE1 4.36Å; T1464-F1525 HydrophobicContact CG2-CZ 4.15Å; L1473-F1525 HydrophobicContact CD1-CE1 3.68Å; L1473-F1525 HydrophobicContact CD1-CZ 3.88Å; A1476-F1525 HydrophobicContact CB-CZ 4.26Å; L1477-F1525 HydrophobicContact CD2-CE2 4.46Å; I1480-F1525 HydrophobicContact CD1-CD2 3.64Å; I1480-F1525 HydrophobicContact CD1-CE2 3.54Å; L1521-F1525 PolarHBondContact O-N 3.27Å; N1522-F1525 CarbonylContact O-C 3.49Å; F1525-L1530 HydrophobicContact CB-CD1 3.49Å; F1525-L1530 VanDerWaalsContact CB-CD1 3.49Å; F1525-L1530 HydrophobicContact CB-CG 4Å; F1525-L1530 HydrophobicContact CD1-CG 4.49Å; F1525-L1530 HydrophobicContact CG-CD1 4.35Å; F1525-Q1567 PolarHBondContact O-NE2 3.37Å |
| 1526 | S | 79.9 | Confident | 75.2 | Confident | 40 Ų | 40 | 34.8 Ų | 34.8 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | trans | -62.5 | 152 | 174.2 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | N1522 Q1528 T1529 L1530 | N1522-S1526 WeakPolarHBondContact O-CA 3.07Å; N1522-S1526 PolarHBondContact O-N 3.41Å; N1522-S1526 VanDerWaalsContact O-N 3.12Å; N1522-S1526 WeakPolarHBondContact OD1-CA 3.33Å; S1526-Q1528 PolarHBondContact O-N 2.97Å; S1526-T1529 WeakPolarHBondContact O-CA 3.21Å; S1526-T1529 WeakPolarHBondContact O-CB 3.47Å; S1526-T1529 PolarHBondContact O-N 3.31Å; S1526-T1529 WeakPolarHBondContact OG-CB 3.06Å; S1526-T1529 PolarHBondContact OG-N 3.16Å; S1526-T1529 PolarHBondContact OG-OG1 2.96Å; S1526-L1530 PolarHBondContact O-N 2.98Å | ||
| 1527 | F | 81.6 | Confident | 75.2 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -51.5 | -42.2 | 176.8 | -175.6 | -87.9 | 0 | 0 | 0 | 112.2 | T1529 L1530 F1531 L1564 Q1567 L1568 I1580 L1584 F1619 | F1527-T1529 PolarHBondContact O-N 2.97Å; F1527-L1530 PolarHBondContact O-N 3.39Å; F1527-F1531 HydrophobicContact CD1-CB 4.37Å; F1527-F1531 HydrophobicContact CE1-CB 4.08Å; F1527-F1531 HydrophobicContact CE1-CG 4.41Å; F1527-F1531 HydrophobicContact CZ-CB 4.44Å; F1527-F1531 VanDerWaalsContact O-CB 3.26Å; F1527-F1531 WeakPolarHBondContact O-CB 3.35Å; F1527-F1531 PolarHBondContact O-N 3.33Å; F1527-L1564 HydrophobicContact CD2-CD2 3.41Å; F1527-L1564 VanDerWaalsContact CD2-CD2 3.41Å; F1527-L1564 HydrophobicContact CE2-CB 4.36Å; F1527-L1564 HydrophobicContact CE2-CD2 3.52Å; F1527-L1564 HydrophobicContact CG-CD2 4.02Å; F1527-L1564 HydrophobicContact CZ-CD2 4.22Å; F1527-Q1567 VanDerWaalsContact CA-OE1 3.27Å; F1527-Q1567 HydrophobicContact CD2-CB 4.18Å; F1527-L1568 HydrophobicContact CD2-CD2 4.47Å; F1527-L1568 HydrophobicContact CD2-CG 4.37Å; F1527-L1568 HydrophobicContact CE2-CD1 3.97Å; F1527-L1568 HydrophobicContact CE2-CD2 3.71Å; F1527-L1568 HydrophobicContact CE2-CG 3.61Å; F1527-L1568 HydrophobicContact CZ-CD1 4.42Å; F1527-L1568 HydrophobicContact CZ-CD2 3.98Å; F1527-L1568 HydrophobicContact CZ-CG 4.29Å; F1527-I1580 HydrophobicContact CB-CD1 3.9Å; F1527-I1580 HydrophobicContact CB-CG1 4.15Å; F1527-I1580 HydrophobicContact CD1-CD1 4.15Å; F1527-I1580 HydrophobicContact CD1-CG1 4.47Å; F1527-I1580 HydrophobicContact CD1-CG2 3.46Å; F1527-I1580 VanDerWaalsContact CD1-CG2 3.46Å; F1527-I1580 HydrophobicContact CD2-CD1 3.81Å; F1527-I1580 HydrophobicContact CE1-CG2 3.8Å; F1527-I1580 HydrophobicContact CE2-CD1 4.39Å; F1527-I1580 HydrophobicContact CG-CD1 3.68Å; F1527-I1580 HydrophobicContact CG-CG1 4.25Å; F1527-I1580 HydrophobicContact CG-CG2 4.07Å; F1527-L1584 HydrophobicContact CD1-CD2 3.59Å; F1527-L1584 HydrophobicContact CD1-CG 4.29Å; F1527-L1584 HydrophobicContact CE1-CD2 3.91Å; F1527-L1584 HydrophobicContact CE1-CG 4.09Å; F1527-F1619 HydrophobicContact CE2-CE2 4.06Å; F1527-F1619 HydrophobicContact CZ-CE2 4.19Å; F1527-F1619 HydrophobicContact CZ-CZ 4.48Å |
| 1528 | Q | 82.1 | Confident | 74.9 | Confident | 107 Ų | 107 | 43 Ų | 43 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 175.9 | -171.2 | 179.7 | 4.2 | 0 | 0 | 112.6 | S1526 Q1532 L1584 | S1526-Q1528 PolarHBondContact O-N 2.97Å; Q1528-Q1532 HydrophobicContact CG-CB 4.29Å; Q1528-Q1532 VanDerWaalsContact CG-OE1 3.28Å; Q1528-Q1532 VanDerWaalsContact O-CB 3.29Å; Q1528-Q1532 WeakPolarHBondContact O-CB 3.48Å; Q1528-Q1532 PolarHBondContact O-N 2.95Å; Q1528-L1584 HydrophobicContact CB-CD2 3.91Å; Q1528-L1584 HydrophobicContact CG-CD2 4.14Å |
| 1529 | T | 77.4 | Confident | 74.7 | Confident | 28 Ų | 28 | 43 Ų | 43 | 17% | 0.172 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -68.6 | -45.5 | -179.9 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | S1526 F1527 N1533 F1534 | S1526-T1529 WeakPolarHBondContact O-CA 3.21Å; S1526-T1529 WeakPolarHBondContact O-CB 3.47Å; S1526-T1529 PolarHBondContact O-N 3.31Å; S1526-T1529 WeakPolarHBondContact OG-CB 3.06Å; S1526-T1529 PolarHBondContact OG-N 3.16Å; S1526-T1529 PolarHBondContact OG-OG1 2.96Å; F1527-T1529 PolarHBondContact O-N 2.97Å; T1529-N1533 WeakPolarHBondContact O-CB 3.47Å; T1529-N1533 PolarHBondContact O-N 3.24Å; T1529-F1534 PolarHBondContact O-N 2.93Å |
| 1530 | L | 79 | Confident | 74.1 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -65.2 | -46 | 175.9 | -94.6 | 152.5 | 0 | 0 | 0 | 111.8 | L1477 F1525 S1526 F1527 F1534 I1535 A1560 L1563 L1564 | L1477-L1530 HydrophobicContact CD2-CD2 4.3Å; F1525-L1530 HydrophobicContact CB-CD1 3.49Å; F1525-L1530 VanDerWaalsContact CB-CD1 3.49Å; F1525-L1530 HydrophobicContact CB-CG 4Å; F1525-L1530 HydrophobicContact CD1-CG 4.49Å; F1525-L1530 HydrophobicContact CG-CD1 4.35Å; S1526-L1530 PolarHBondContact O-N 2.98Å; F1527-L1530 PolarHBondContact O-N 3.39Å; L1530-F1534 WeakPolarHBondContact O-CB 3.33Å; L1530-I1535 WeakPolarHBondContact O-CG1 3.32Å; L1530-I1535 PolarHBondContact O-N 3.48Å; L1530-A1560 HydrophobicContact CD2-CB 3.73Å; L1530-L1563 HydrophobicContact CD1-CB 4.28Å; L1530-L1564 HydrophobicContact CB-CD1 4.43Å; L1530-L1564 HydrophobicContact CB-CD2 3.61Å; L1530-L1564 HydrophobicContact CB-CG 3.98Å |
| 1531 | F | 83.9 | Confident | 73.3 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -80 | -59.6 | -175 | -179.1 | -101.5 | 0 | 0 | 0 | 113.1 | F1527 I1535 H1536 L1564 L1584 A1588 W1591 F1619 | F1527-F1531 HydrophobicContact CD1-CB 4.37Å; F1527-F1531 HydrophobicContact CE1-CB 4.08Å; F1527-F1531 HydrophobicContact CE1-CG 4.41Å; F1527-F1531 HydrophobicContact CZ-CB 4.44Å; F1527-F1531 VanDerWaalsContact O-CB 3.26Å; F1527-F1531 WeakPolarHBondContact O-CB 3.35Å; F1527-F1531 PolarHBondContact O-N 3.33Å; F1531-I1535 HydrophobicContact CD2-CB 4.39Å; F1531-I1535 HydrophobicContact CD2-CG2 4.24Å; F1531-I1535 HydrophobicContact CE2-CG2 4.27Å; F1531-I1535 PolarHBondContact O-N 3.45Å; F1531-H1536 HydrophobicContact CE1-CB 4.41Å; F1531-H1536 HydrophobicContact CZ-CB 4.32Å; F1531-H1536 VanDerWaalsContact O-CB 3.25Å; F1531-H1536 WeakPolarHBondContact O-CB 3.48Å; F1531-H1536 PolarHBondContact O-N 3.19Å; F1531-L1564 HydrophobicContact CB-CD1 4.47Å; F1531-L1564 HydrophobicContact CB-CD2 4.05Å; F1531-L1584 HydrophobicContact CD1-CD1 3.96Å; F1531-L1584 HydrophobicContact CD1-CG 4.39Å; F1531-L1584 HydrophobicContact CE1-CD1 4.49Å; F1531-A1588 HydrophobicContact CD1-CB 3.97Å; F1531-A1588 HydrophobicContact CD2-CB 3.95Å; F1531-A1588 HydrophobicContact CE1-CB 3.62Å; F1531-A1588 HydrophobicContact CE2-CB 3.61Å; F1531-A1588 HydrophobicContact CG-CB 4.15Å; F1531-A1588 HydrophobicContact CZ-CB 3.48Å; F1531-A1588 VanDerWaalsContact CZ-CB 3.48Å; F1531-W1591 HydrophobicContact CE2-CD2 4.12Å; F1531-W1591 AromaticContact CE2-CE3 3.72Å; F1531-W1591 HydrophobicContact CE2-CE3 3.72Å; F1531-W1591 HydrophobicContact CE2-CZ3 4.17Å; F1531-W1591 HydrophobicContact CZ-CB 4.15Å; F1531-W1591 HydrophobicContact CZ-CD2 4.2Å; F1531-W1591 HydrophobicContact CZ-CE3 4.2Å; F1531-W1591 HydrophobicContact CZ-CG 4.21Å; F1531-F1619 HydrophobicContact CD2-CZ 4.07Å; F1531-F1619 HydrophobicContact CE2-CZ 4.42Å |
| 1532 | Q | 77.3 | Confident | 72.3 | Confident | 73 Ų | 73 | 51.5 Ų | 51.5 | 34% | 0.341 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -74 | -46.8 | -172.8 | -107.7 | 177.5 | -0.2 | 0 | 0 | 112.4 | Q1528 L1584 | Q1528-Q1532 HydrophobicContact CG-CB 4.29Å; Q1528-Q1532 VanDerWaalsContact CG-OE1 3.28Å; Q1528-Q1532 VanDerWaalsContact O-CB 3.29Å; Q1528-Q1532 WeakPolarHBondContact O-CB 3.48Å; Q1528-Q1532 PolarHBondContact O-N 2.95Å; Q1532-L1584 HydrophobicContact CB-CD1 4.39Å; Q1532-L1584 HydrophobicContact CG-CD1 3.55Å; Q1532-L1584 VanDerWaalsContact NE2-CD1 3.3Å |
| 1533 | N | 72.1 | Confident | 71 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -82 | -33.6 | -173.5 | -59.5 | -19 | 0 | 0 | 0 | 112 | T1529 Q1537 | T1529-N1533 WeakPolarHBondContact O-CB 3.47Å; T1529-N1533 PolarHBondContact O-N 3.24Å; N1533-Q1537 PolarHBondContact O-OE1 3.4Å |
| 1534 | F | 71.9 | Confident | 69.6 | Low | 23 Ų | 23 | 58.7 Ų | 58.7 | 10% | 0.101 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -101.4 | -69.9 | -176.5 | -177.7 | -103.4 | 0 | 0 | 0 | 112.6 | M1470 L1473 T1529 L1530 H1536 Y1538 V1556 Y1557 A1560 | M1470-F1534 HydrophobicContact CE-CE2 4.25Å; M1470-F1534 HydrophobicContact CE-CZ 3.82Å; M1470-F1534 HydrophobicContact SD-CE2 3.4Å; M1470-F1534 WeakPolarHBondContact SD-CE2 3.39Å; M1470-F1534 HydrophobicContact SD-CZ 3.61Å; L1473-F1534 HydrophobicContact CD2-CD1 3.98Å; L1473-F1534 HydrophobicContact CD2-CD2 3.32Å; L1473-F1534 HydrophobicContact CD2-CE1 3.79Å; L1473-F1534 HydrophobicContact CD2-CE2 3.1Å; L1473-F1534 HydrophobicContact CD2-CG 3.77Å; L1473-F1534 HydrophobicContact CD2-CZ 3.38Å; T1529-F1534 PolarHBondContact O-N 2.93Å; L1530-F1534 WeakPolarHBondContact O-CB 3.33Å; F1534-H1536 PolarHBondContact O-N 2.68Å; F1534-Y1538 HydrophobicContact CD2-CD2 4.15Å; F1534-Y1538 HydrophobicContact CE2-CD2 4.41Å; F1534-Y1538 WeakPolarHBondContact O-CB 3.38Å; F1534-Y1538 WeakPolarHBondContact O-CD2 3.43Å; F1534-Y1538 PolarHBondContact O-N 3.04Å; F1534-V1556 HydrophobicContact CE1-CG1 3.63Å; F1534-V1556 HydrophobicContact CE2-CG1 4.23Å; F1534-V1556 HydrophobicContact CZ-CB 4.34Å; F1534-V1556 HydrophobicContact CZ-CG1 3.26Å; F1534-Y1557 HydrophobicContact CE1-CD1 4.14Å; F1534-Y1557 HydrophobicContact CE1-CE1 4.08Å; F1534-Y1557 HydrophobicContact CZ-CE1 4.12Å; F1534-A1560 HydrophobicContact CD1-CB 4.32Å; F1534-A1560 HydrophobicContact CE1-CB 4.18Å |
| 1535 | I | 74.7 | Confident | 68.1 | Low | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -61.1 | -50.8 | -174.2 | -67.8 | -61.6 | 0 | 0 | 0 | 111.9 | L1530 F1531 Q1537 F1539 Y1557 A1560 F1561 L1564 W1591 | L1530-I1535 WeakPolarHBondContact O-CG1 3.32Å; L1530-I1535 PolarHBondContact O-N 3.48Å; F1531-I1535 HydrophobicContact CD2-CB 4.39Å; F1531-I1535 HydrophobicContact CD2-CG2 4.24Å; F1531-I1535 HydrophobicContact CE2-CG2 4.27Å; F1531-I1535 PolarHBondContact O-N 3.45Å; I1535-Q1537 PolarHBondContact O-N 3.47Å; I1535-F1539 HydrophobicContact CG2-CB 4.39Å; I1535-F1539 WeakPolarHBondContact O-CA 3.32Å; I1535-F1539 WeakPolarHBondContact O-CB 3.48Å; I1535-F1539 PolarHBondContact O-N 3.3Å; I1535-Y1557 HydrophobicContact CD1-CD1 3.77Å; I1535-Y1557 HydrophobicContact CD1-CE1 4.35Å; I1535-A1560 HydrophobicContact CD1-CB 3.9Å; I1535-F1561 HydrophobicContact CD1-CD1 4.43Å; I1535-F1561 HydrophobicContact CD1-CE1 3.99Å; I1535-F1561 HydrophobicContact CD1-CE2 4.45Å; I1535-F1561 HydrophobicContact CD1-CZ 3.99Å; I1535-F1561 HydrophobicContact CG1-CE1 4.26Å; I1535-F1561 HydrophobicContact CG2-CE1 3.79Å; I1535-F1561 HydrophobicContact CG2-CZ 4.04Å; I1535-L1564 HydrophobicContact CG1-CD1 3.85Å; I1535-W1591 HydrophobicContact CG2-CH2 3.17Å; I1535-W1591 HydrophobicContact CG2-CZ2 3.63Å; I1535-W1591 HydrophobicContact CG2-CZ3 3.69Å |
| 1536 | H | 72 | Confident | 66.5 | Low | 85 Ų | 85 | 67.7 Ų | 67.7 | 39% | 0.394 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.4 | -34.7 | -173.1 | -171.3 | 78.8 | 0 | 0 | 0 | 113.1 | F1531 F1534 W1591 | F1531-H1536 HydrophobicContact CE1-CB 4.41Å; F1531-H1536 HydrophobicContact CZ-CB 4.32Å; F1531-H1536 VanDerWaalsContact O-CB 3.25Å; F1531-H1536 WeakPolarHBondContact O-CB 3.48Å; F1531-H1536 PolarHBondContact O-N 3.19Å; F1534-H1536 PolarHBondContact O-N 2.68Å; H1536-W1591 AromaticContact CE1-CD1 3.54Å; H1536-W1591 AromaticContact ND1-CD1 3.16Å; H1536-W1591 AromaticContact ND1-CG 3.71Å; H1536-W1591 AromaticContact ND1-NE1 3.55Å |
| 1537 | Q | 69.3 | Low | 64.8 | Low | 120 Ų | 120 | 77 Ų | 77 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -77.5 | -45 | 178.3 | -74.3 | -171.8 | -3.6 | 0 | 0 | 112.7 | N1533 I1535 | N1533-Q1537 PolarHBondContact O-OE1 3.4Å; I1535-Q1537 PolarHBondContact O-N 3.47Å |
| 1538 | Y | 65.7 | Low | 62.9 | Low | 99 Ų | 99 | 82.2 Ų | 82.2 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -91.7 | -33.9 | -172.4 | -73.7 | -88.6 | 0 | 0 | 0 | 113.7 | F1534 R1540 | F1534-Y1538 HydrophobicContact CD2-CD2 4.15Å; F1534-Y1538 HydrophobicContact CE2-CD2 4.41Å; F1534-Y1538 WeakPolarHBondContact O-CB 3.38Å; F1534-Y1538 WeakPolarHBondContact O-CD2 3.43Å; F1534-Y1538 PolarHBondContact O-N 3.04Å; Y1538-R1540 PolarHBondContact O-N 2.96Å; Y1538-R1540 VanDerWaalsContact O-N 3.08Å |
| 1539 | F | 67.3 | Low | 61.1 | Low | 8 Ų | 8 | 83 Ų | 83 | 4% | 0.035 | 39% | 0.393 | C | S | . | . | trans | -84.9 | 85.1 | 179.7 | -165.7 | -87.6 | 0 | 0 | 0 | 110.8 | I1535 L1541 Y1557 W1591 Q1595 L1599 Y1612 | I1535-F1539 HydrophobicContact CG2-CB 4.39Å; I1535-F1539 WeakPolarHBondContact O-CA 3.32Å; I1535-F1539 WeakPolarHBondContact O-CB 3.48Å; I1535-F1539 PolarHBondContact O-N 3.3Å; F1539-L1541 HydrophobicContact CE1-CD1 3.74Å; F1539-L1541 HydrophobicContact CE1-CG 3.71Å; F1539-L1541 HydrophobicContact CZ-CD1 4.14Å; F1539-L1541 HydrophobicContact CZ-CD2 4.31Å; F1539-L1541 HydrophobicContact CZ-CG 4Å; F1539-Y1557 HydrophobicContact CB-CD1 4.43Å; F1539-Y1557 HydrophobicContact CB-CE1 3.89Å; F1539-Y1557 AromaticContact CD2-CD1 3.74Å; F1539-Y1557 HydrophobicContact CD2-CD1 3.74Å; F1539-Y1557 AromaticContact CD2-CD2 3.87Å; F1539-Y1557 HydrophobicContact CD2-CD2 3.87Å; F1539-Y1557 AromaticContact CD2-CE1 3.71Å; F1539-Y1557 HydrophobicContact CD2-CE1 3.71Å; F1539-Y1557 AromaticContact CD2-CE2 3.85Å; F1539-Y1557 HydrophobicContact CD2-CE2 3.85Å; F1539-Y1557 AromaticContact CD2-CG 3.84Å; F1539-Y1557 HydrophobicContact CD2-CG 3.84Å; F1539-Y1557 AromaticContact CD2-CZ 3.77Å; F1539-Y1557 HydrophobicContact CE2-CD2 4.12Å; F1539-Y1557 HydrophobicContact CE2-CE2 4.39Å; F1539-Y1557 HydrophobicContact CE2-CG 4.22Å; F1539-Y1557 HydrophobicContact CG-CE1 4.3Å; F1539-W1591 HydrophobicContact CB-CH2 4.28Å; F1539-W1591 HydrophobicContact CB-CZ2 3.93Å; F1539-W1591 AromaticContact CD1-CH2 3.55Å; F1539-W1591 HydrophobicContact CD1-CH2 3.55Å; F1539-W1591 AromaticContact CD1-CZ2 3.45Å; F1539-W1591 HydrophobicContact CD1-CZ2 3.45Å; F1539-W1591 VanDerWaalsContact CD1-CZ2 3.45Å; F1539-W1591 HydrophobicContact CE1-CH2 4.19Å; F1539-W1591 HydrophobicContact CE1-CZ2 4.36Å; F1539-W1591 HydrophobicContact CG-CH2 4.16Å; F1539-W1591 HydrophobicContact CG-CZ2 4.08Å; F1539-Q1595 HydrophobicContact CD1-CG 4.23Å; F1539-Q1595 HydrophobicContact CE1-CB 4.4Å; F1539-Q1595 HydrophobicContact CE1-CG 4.11Å; F1539-L1599 HydrophobicContact CZ-CD1 4.32Å; F1539-Y1612 HydrophobicContact CE2-CD2 4.28Å; F1539-Y1612 HydrophobicContact CE2-CE1 4.05Å; F1539-Y1612 AromaticContact CE2-CE2 3.62Å; F1539-Y1612 HydrophobicContact CE2-CE2 3.62Å; F1539-Y1612 AromaticContact CE2-CZ 3.48Å; F1539-Y1612 VanDerWaalsContact CE2-CZ 3.48Å; F1539-Y1612 HydrophobicContact CZ-CD2 4.44Å; F1539-Y1612 AromaticContact CZ-CE2 3.51Å; F1539-Y1612 HydrophobicContact CZ-CE2 3.51Å; F1539-Y1612 AromaticContact CZ-CZ 3.6Å; F1539-Y1612 WeakPolarHBondContact CZ-OH 3.23Å | ||
| 1540 | R | 62.3 | Low | 59.6 | Low | 148 Ų | 148 | 85.8 Ų | 85.8 | 56% | 0.558 | 41% | 0.407 | S | S | * | . | trans | -111.9 | 97.8 | 169.9 | -67.9 | -172.7 | -179.2 | -171.9 | 2 | 110.7 | Y1538 H1542 E1543 | Y1538-R1540 PolarHBondContact O-N 2.96Å; Y1538-R1540 VanDerWaalsContact O-N 3.08Å; R1540-H1542 PolarHBondContact O-N 3.08Å; R1540-E1543 IonicContact NH1-OE2 3.39Å; R1540-E1543 PolarHBondContact NH1-OE2 3.23Å | ||
| 1541 | L | 58.1 | Low | 58.3 | Low | 17 Ų | 17 | 91.3 Ų | 91.3 | 9% | 0.089 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.2 | 174.6 | -80.5 | 164 | 0 | 0 | 0 | 113.7 | F1539 Q1595 F1598 L1599 K1602 | F1539-L1541 HydrophobicContact CE1-CD1 3.74Å; F1539-L1541 HydrophobicContact CE1-CG 3.71Å; F1539-L1541 HydrophobicContact CZ-CD1 4.14Å; F1539-L1541 HydrophobicContact CZ-CD2 4.31Å; F1539-L1541 HydrophobicContact CZ-CG 4Å; L1541-Q1595 VanDerWaalsContact CB-OE1 3.29Å; L1541-Q1595 HydrophobicContact CD1-CB 3.91Å; L1541-Q1595 HydrophobicContact CD1-CG 4.43Å; L1541-Q1595 WeakPolarHBondContact CD1-O 3.34Å; L1541-F1598 HydrophobicContact CB-CB 4.07Å; L1541-F1598 HydrophobicContact CD1-CB 3.95Å; L1541-L1599 HydrophobicContact CD1-CB 4.18Å; L1541-L1599 HydrophobicContact CD1-CD1 3.64Å; L1541-L1599 HydrophobicContact CD1-CG 3.51Å; L1541-L1599 HydrophobicContact CD2-CG 4.18Å; L1541-K1602 HydrophobicContact CD2-CD 4.32Å; L1541-K1602 PolarHBondContact O-NZ 3.22Å |
| 1542 | H | 51.3 | Low | 56.9 | Low | 126 Ų | 126 | 96.8 Ų | 96.8 | 58% | 0.583 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -34.1 | -171.4 | -101.7 | -77.8 | 0 | 0 | 0 | 114.9 | R1540 F1598 | R1540-H1542 PolarHBondContact O-N 3.08Å; H1542-F1598 AromaticContact CD2-CD2 3.93Å; H1542-F1598 AromaticContact CD2-CE2 3.66Å; H1542-F1598 AromaticContact CD2-CZ 3.91Å; H1542-F1598 AromaticContact CE1-CE1 3.5Å; H1542-F1598 VanDerWaalsContact CE1-CE1 3.5Å; H1542-F1598 WeakPolarHBondContact CE1-CE1 3.47Å; H1542-F1598 AromaticContact CE1-CE2 3.25Å; H1542-F1598 WeakPolarHBondContact CE1-CE2 3.48Å; H1542-F1598 AromaticContact CE1-CZ 2.85Å; H1542-F1598 WeakPolarHBondContact CE1-CZ 3.36Å; H1542-F1598 AromaticContact ND1-CE1 3.63Å; H1542-F1598 AromaticContact ND1-CZ 3.5Å; H1542-F1598 WeakPolarHBondContact ND1-CZ 3.46Å; H1542-F1598 AromaticContact NE2-CD2 3.64Å; H1542-F1598 AromaticContact NE2-CE1 3.93Å; H1542-F1598 AromaticContact NE2-CE2 2.91Å; H1542-F1598 WeakPolarHBondContact NE2-CE2 3.38Å; H1542-F1598 AromaticContact NE2-CZ 3.13Å; H1542-F1598 WeakPolarHBondContact NE2-CZ 3.39Å |
| 1543 | E | 47.6 | Very low | 56.2 | Low | 131 Ų | 131 | 95.8 Ų | 95.8 | 61% | 0.612 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -21.2 | -163.3 | -73.9 | -179.1 | 147 | 0 | 0 | 114.9 | R1540 | R1540-E1543 IonicContact NH1-OE2 3.39Å; R1540-E1543 PolarHBondContact NH1-OE2 3.23Å |
| 1544 | N | 41.5 | Very low | 56.1 | Low | 121 Ų | 121 | 94.2 Ų | 94.2 | 65% | 0.647 | 45% | 0.445 | S | S | * | . | trans | -120.1 | 113.5 | -178 | -71.1 | -36.8 | 0 | 0 | 0 | 111 | P1546 | N1544-P1546 WeakPolarHBondContact O-CD 3.31Š| ||
| 1545 | I | 40.4 | Very low | 56.2 | Low | 135 Ų | 135 | 95.8 Ų | 95.8 | 69% | 0.692 | 45% | 0.453 | S | S | * | . | trans | -77.5 | 99.8 | 149.9 | -57.9 | 165.4 | 0 | 0 | 0 | 104.3 | R1547 | I1545-R1547 HydrophobicContact CG2-CG 3.89Å; I1545-R1547 PolarHBondContact O-N 3.04Å | ||
| 1546 | P | 42.2 | Very low | 56.3 | Low | 83 Ų | 83 | 95.8 Ų | 95.8 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | trans | -72.5 | 100.2 | 157.8 | 35.6 | -32.4 | 0 | 0 | 0 | 104.2 | N1544 N1548 | N1544-P1546 WeakPolarHBondContact O-CD 3.31Å; P1546-N1548 VanDerWaalsContact CB-O 3.29Å; P1546-N1548 WeakPolarHBondContact CB-O 3.17Å; P1546-N1548 CarbonylContact O-C 3.47Å; P1546-N1548 PolarHBondContact O-N 3.49Å; P1546-N1548 VanDerWaalsContact O-N 3.08Å | ||
| 1547 | R | 43.9 | Very low | 56.8 | Low | 236 Ų | 236 | 92.9 Ų | 92.9 | 89% | 0.891 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -56.1 | -14.6 | 162 | -83.5 | -174 | 173.4 | 178.7 | -1.9 | 110.8 | I1545 | I1545-R1547 HydrophobicContact CG2-CG 3.89Å; I1545-R1547 PolarHBondContact O-N 3.04Å |
| 1548 | N | 40.3 | Very low | 57.5 | Low | 111 Ų | 111 | 88.9 Ų | 88.9 | 59% | 0.594 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -88.1 | 112.5 | 164.3 | -79.1 | -10.4 | 0 | 0 | 0 | 110.3 | P1546 N1550 | P1546-N1548 VanDerWaalsContact CB-O 3.29Å; P1546-N1548 WeakPolarHBondContact CB-O 3.17Å; P1546-N1548 CarbonylContact O-C 3.47Å; P1546-N1548 PolarHBondContact O-N 3.49Å; P1546-N1548 VanDerWaalsContact O-N 3.08Å; N1548-N1550 PolarHBondContact O-N 3.27Å |
| 1549 | N | 44.2 | Very low | 58.4 | Low | 123 Ų | 123 | 85 Ų | 85 | 66% | 0.658 | 40% | 0.403 | S | S | * | . | trans | -61 | 70.6 | 157.6 | -71.4 | -20 | 0 | 0 | 0 | 109.7 | H1551 | N1549-H1551 PolarHBondContact O-N 2.97Š| ||
| 1550 | N | 47.3 | Very low | 59.2 | Low | 87 Ų | 87 | 84.6 Ų | 84.6 | 47% | 0.465 | 40% | 0.401 | S | S | . | . | trans | -72 | 81.8 | 170.6 | -86.5 | -0.4 | 0 | 0 | 0 | 107.2 | N1548 K1552 D1553 | N1548-N1550 PolarHBondContact O-N 3.27Å; N1550-K1552 PolarHBondContact O-N 3.21Å; N1550-D1553 PolarHBondContact O-N 3.29Å | ||
| 1551 | H | 51.8 | Low | 60.5 | Low | 118 Ų | 118 | 77.6 Ų | 77.6 | 55% | 0.546 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -46.3 | -22.5 | 174.8 | -77 | -71.2 | 0 | 0 | 0 | 113.6 | N1549 E1555 | N1549-H1551 PolarHBondContact O-N 2.97Å; H1551-E1555 PolarHBondContact O-N 3.38Å |
| 1552 | K | 53.7 | Low | 61.8 | Low | 118 Ų | 118 | 76.8 Ų | 76.8 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 176.6 | -67.7 | -175.5 | 165.4 | -163 | 0 | 114.3 | D1471 N1550 D1554 E1555 V1556 | D1471-K1552 IonicContact OD1-NZ 2.88Å; D1471-K1552 PolarHBondContact OD1-NZ 3.12Å; D1471-K1552 IonicContact OD2-NZ 3.63Å; N1550-K1552 PolarHBondContact O-N 3.21Å; K1552-D1554 PolarHBondContact O-N 3.31Å; K1552-E1555 PolarHBondContact O-N 3.31Å; K1552-V1556 PolarHBondContact O-N 3.35Å |
| 1553 | D | 63.4 | Low | 63.5 | Low | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 179.1 | -68.6 | -32.2 | 0 | 0 | 0 | 109.5 | M1470 N1550 E1555 V1556 Y1557 | M1470-D1553 HydrophobicContact CE-CB 4.3Å; N1550-D1553 PolarHBondContact O-N 3.29Å; D1553-E1555 VanDerWaalsContact C-N 3.35Å; D1553-E1555 PolarHBondContact O-N 3.39Å; D1553-V1556 PolarHBondContact O-N 3.27Å; D1553-Y1557 HydrophobicContact CB-CE2 4.04Å; D1553-Y1557 WeakPolarHBondContact O-CD2 3.41Å; D1553-Y1557 WeakPolarHBondContact O-CE2 3.26Å; D1553-Y1557 PolarHBondContact O-N 2.87Å |
| 1554 | D | 70.2 | Confident | 65.4 | Low | 38 Ų | 38 | 64.8 Ų | 64.8 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 175.8 | -72.6 | -10 | 0 | 0 | 0 | 113.1 | K1552 R1558 I1611 Y1612 | K1552-D1554 PolarHBondContact O-N 3.31Å; D1554-R1558 WeakPolarHBondContact O-CB 3.34Å; D1554-R1558 PolarHBondContact O-N 3.26Å; D1554-I1611 HydrophobicContact CB-CB 4.46Å; D1554-Y1612 HydrophobicContact CB-CD1 4.06Å; D1554-Y1612 WeakPolarHBondContact OD1-CD1 3.13Å; D1554-Y1612 VanDerWaalsContact OD1-CE1 3.29Å; D1554-Y1612 WeakPolarHBondContact OD1-CE1 3.39Å |
| 1555 | E | 72.4 | Confident | 67.6 | Low | 57 Ų | 57 | 59 Ų | 59 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 175.8 | -80.4 | -165.2 | 160 | 0 | 0 | 112.2 | T1474 H1551 K1552 D1553 Y1557 R1558 Y1559 | T1474-E1555 HydrophobicContact CG2-CB 3.85Å; H1551-E1555 PolarHBondContact O-N 3.38Å; K1552-E1555 PolarHBondContact O-N 3.31Å; D1553-E1555 VanDerWaalsContact C-N 3.35Å; D1553-E1555 PolarHBondContact O-N 3.39Å; E1555-Y1557 PolarHBondContact O-N 3.46Å; E1555-R1558 WeakPolarHBondContact O-CB 3.29Å; E1555-R1558 PolarHBondContact O-N 3.37Å; E1555-Y1559 HydrophobicContact CB-CE2 4.22Å; E1555-Y1559 WeakPolarHBondContact O-CD2 3.36Å; E1555-Y1559 PolarHBondContact O-N 3.13Å; E1555-Y1559 VanDerWaalsContact O-N 3.1Å |
| 1556 | V | 77.7 | Confident | 69.7 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 179.8 | -173 | 0 | 0 | 0 | 0 | 110.3 | M1470 L1473 T1474 L1477 F1534 K1552 D1553 R1558 Y1559 A1560 | M1470-V1556 HydrophobicContact CE-CB 4.01Å; M1470-V1556 HydrophobicContact CE-CG1 4.16Å; M1470-V1556 HydrophobicContact CE-CG2 4.11Å; L1473-V1556 HydrophobicContact CB-CG1 4.46Å; L1473-V1556 HydrophobicContact CD2-CG1 3.73Å; L1473-V1556 HydrophobicContact CG-CG1 4.06Å; T1474-V1556 HydrophobicContact CG2-CG2 3.86Å; T1474-V1556 WeakPolarHBondContact OG1-CG2 3.36Å; L1477-V1556 HydrophobicContact CD1-CG1 3.89Å; F1534-V1556 HydrophobicContact CE1-CG1 3.63Å; F1534-V1556 HydrophobicContact CE2-CG1 4.23Å; F1534-V1556 HydrophobicContact CZ-CB 4.34Å; F1534-V1556 HydrophobicContact CZ-CG1 3.26Å; K1552-V1556 PolarHBondContact O-N 3.35Å; D1553-V1556 PolarHBondContact O-N 3.27Å; V1556-R1558 VanDerWaalsContact C-N 3.31Å; V1556-R1558 PolarHBondContact O-N 3.45Å; V1556-Y1559 PolarHBondContact O-N 3.32Å; V1556-A1560 WeakPolarHBondContact O-CB 3.17Å; V1556-A1560 PolarHBondContact O-N 2.73Å |
| 1557 | Y | 81.6 | Confident | 71.7 | Confident | 24 Ų | 24 | 49 Ų | 49 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 177.1 | -61.2 | -52.7 | 0 | 0 | 0 | 111.6 | M1470 F1534 I1535 F1539 D1553 E1555 Y1559 A1560 F1561 Y1612 | M1470-Y1557 HydrophobicContact CE-CE1 4.38Å; M1470-Y1557 HydrophobicContact CE-CE2 4.36Å; F1534-Y1557 HydrophobicContact CE1-CD1 4.14Å; F1534-Y1557 HydrophobicContact CE1-CE1 4.08Å; F1534-Y1557 HydrophobicContact CZ-CE1 4.12Å; I1535-Y1557 HydrophobicContact CD1-CD1 3.77Å; I1535-Y1557 HydrophobicContact CD1-CE1 4.35Å; F1539-Y1557 HydrophobicContact CB-CD1 4.43Å; F1539-Y1557 HydrophobicContact CB-CE1 3.89Å; F1539-Y1557 AromaticContact CD2-CD1 3.74Å; F1539-Y1557 HydrophobicContact CD2-CD1 3.74Å; F1539-Y1557 AromaticContact CD2-CD2 3.87Å; F1539-Y1557 HydrophobicContact CD2-CD2 3.87Å; F1539-Y1557 AromaticContact CD2-CE1 3.71Å; F1539-Y1557 HydrophobicContact CD2-CE1 3.71Å; F1539-Y1557 AromaticContact CD2-CE2 3.85Å; F1539-Y1557 HydrophobicContact CD2-CE2 3.85Å; F1539-Y1557 AromaticContact CD2-CG 3.84Å; F1539-Y1557 HydrophobicContact CD2-CG 3.84Å; F1539-Y1557 AromaticContact CD2-CZ 3.77Å; F1539-Y1557 HydrophobicContact CE2-CD2 4.12Å; F1539-Y1557 HydrophobicContact CE2-CE2 4.39Å; F1539-Y1557 HydrophobicContact CE2-CG 4.22Å; F1539-Y1557 HydrophobicContact CG-CE1 4.3Å; D1553-Y1557 HydrophobicContact CB-CE2 4.04Å; D1553-Y1557 WeakPolarHBondContact O-CD2 3.41Å; D1553-Y1557 WeakPolarHBondContact O-CE2 3.26Å; D1553-Y1557 PolarHBondContact O-N 2.87Å; E1555-Y1557 PolarHBondContact O-N 3.46Å; Y1557-Y1559 PolarHBondContact O-N 3.02Å; Y1557-A1560 PolarHBondContact O-N 3.21Å; Y1557-F1561 WeakPolarHBondContact O-CB 3.38Å; Y1557-F1561 WeakPolarHBondContact O-CD2 3.41Å; Y1557-F1561 WeakPolarHBondContact O-CG 3.48Å; Y1557-F1561 PolarHBondContact O-N 3.02Å; Y1557-Y1612 HydrophobicContact CD2-CD1 4.31Å |
| 1558 | R | 84.1 | Confident | 73.6 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.6 | -54.1 | 176.9 | -169.8 | -159.2 | -170.8 | 179.8 | -13.3 | 111.1 | E1501 I1503 D1554 E1555 V1556 A1562 I1611 A1615 E1662 | E1501-R1558 PolarHBondContact O-NH2 3.05Å; I1503-R1558 HydrophobicContact CD1-CG 3.57Å; D1554-R1558 WeakPolarHBondContact O-CB 3.34Å; D1554-R1558 PolarHBondContact O-N 3.26Å; E1555-R1558 WeakPolarHBondContact O-CB 3.29Å; E1555-R1558 PolarHBondContact O-N 3.37Å; V1556-R1558 VanDerWaalsContact C-N 3.31Å; V1556-R1558 PolarHBondContact O-N 3.45Å; R1558-A1562 PolarHBondContact O-N 3.03Å; R1558-I1611 HydrophobicContact CB-CG2 4.23Å; R1558-I1611 VanDerWaalsContact CD-CG2 3.46Å; R1558-I1611 HydrophobicContact CG-CG2 3.98Å; R1558-A1615 WeakPolarHBondContact O-CB 3.38Å; R1558-E1662 IonicContact CZ-OE1 2.63Å; R1558-E1662 IonicContact CZ-OE2 2.79Å; R1558-E1662 IonicContact NE-OE1 3.06Å; R1558-E1662 IonicContact NE-OE2 2.89Å; R1558-E1662 IonicContact NH2-OE1 3.23Å; R1558-E1662 PolarHBondContact NH2-OE1 3.36Å; R1558-E1662 IonicContact NH2-OE2 3.12Å; R1558-E1662 PolarHBondContact NH2-OE2 2.8Å |
| 1559 | Y | 84.5 | Confident | 75.4 | Confident | 18 Ų | 18 | 33.8 Ų | 33.8 | 7% | 0.071 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -72.9 | -35.9 | -178.4 | -60.1 | -59.4 | 0 | 0 | 0 | 112.8 | L1477 R1478 Y1481 E1555 V1556 Y1557 A1562 L1563 | L1477-Y1559 HydrophobicContact CB-CD2 4.47Å; L1477-Y1559 HydrophobicContact CB-CG 4.34Å; R1478-Y1559 HydrophobicContact CB-CD2 4.22Å; R1478-Y1559 HydrophobicContact CB-CE2 3.81Å; R1478-Y1559 HydrophobicContact CG-CE2 4.09Å; Y1481-Y1559 AromaticContact CD1-CD1 3.92Å; Y1481-Y1559 HydrophobicContact CD1-CD1 3.92Å; Y1481-Y1559 AromaticContact CD1-CE1 3.63Å; Y1481-Y1559 HydrophobicContact CD1-CE1 3.63Å; Y1481-Y1559 AromaticContact CD2-CD1 3.82Å; Y1481-Y1559 HydrophobicContact CD2-CD1 3.82Å; Y1481-Y1559 HydrophobicContact CD2-CE1 4.38Å; Y1481-Y1559 HydrophobicContact CE1-CE1 4.19Å; Y1481-Y1559 HydrophobicContact CE2-CD1 4.47Å; Y1481-Y1559 AromaticContact CG-CD1 3.52Å; Y1481-Y1559 HydrophobicContact CG-CD1 3.52Å; Y1481-Y1559 AromaticContact CG-CE1 3.74Å; Y1481-Y1559 HydrophobicContact CG-CE1 3.74Å; E1555-Y1559 HydrophobicContact CB-CE2 4.22Å; E1555-Y1559 WeakPolarHBondContact O-CD2 3.36Å; E1555-Y1559 PolarHBondContact O-N 3.13Å; E1555-Y1559 VanDerWaalsContact O-N 3.1Å; V1556-Y1559 PolarHBondContact O-N 3.32Å; Y1557-Y1559 PolarHBondContact O-N 3.02Å; Y1559-A1562 PolarHBondContact O-N 3.16Å; Y1559-L1563 PolarHBondContact O-N 3.31Å |
| 1560 | A | 85.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.4 | -46.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L1477 L1530 F1534 I1535 V1556 Y1557 A1562 L1563 L1564 | L1477-A1560 HydrophobicContact CD1-CB 3.93Å; L1530-A1560 HydrophobicContact CD2-CB 3.73Å; F1534-A1560 HydrophobicContact CD1-CB 4.32Å; F1534-A1560 HydrophobicContact CE1-CB 4.18Å; I1535-A1560 HydrophobicContact CD1-CB 3.9Å; V1556-A1560 WeakPolarHBondContact O-CB 3.17Å; V1556-A1560 PolarHBondContact O-N 2.73Å; Y1557-A1560 PolarHBondContact O-N 3.21Å; A1560-A1562 VanDerWaalsContact C-N 3.33Å; A1560-A1562 PolarHBondContact O-N 2.75Å; A1560-L1563 PolarHBondContact O-N 3.22Å; A1560-L1564 WeakPolarHBondContact O-CB 3.38Å; A1560-L1564 WeakPolarHBondContact O-CG 3.25Å; A1560-L1564 PolarHBondContact O-N 3.2Å |
| 1561 | F | 88.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.8 | -37.2 | 175.7 | -73 | -53.3 | 0 | 0 | 0 | 112.2 | I1535 Y1557 L1564 T1565 W1591 Y1612 A1615 F1616 F1619 | I1535-F1561 HydrophobicContact CD1-CD1 4.43Å; I1535-F1561 HydrophobicContact CD1-CE1 3.99Å; I1535-F1561 HydrophobicContact CD1-CE2 4.45Å; I1535-F1561 HydrophobicContact CD1-CZ 3.99Å; I1535-F1561 HydrophobicContact CG1-CE1 4.26Å; I1535-F1561 HydrophobicContact CG2-CE1 3.79Å; I1535-F1561 HydrophobicContact CG2-CZ 4.04Å; Y1557-F1561 WeakPolarHBondContact O-CB 3.38Å; Y1557-F1561 WeakPolarHBondContact O-CD2 3.41Å; Y1557-F1561 WeakPolarHBondContact O-CG 3.48Å; Y1557-F1561 PolarHBondContact O-N 3.02Å; F1561-L1564 HydrophobicContact CD1-CD1 4.33Å; F1561-L1564 PolarHBondContact O-N 3.35Å; F1561-T1565 WeakPolarHBondContact O-CB 3.35Å; F1561-T1565 PolarHBondContact O-N 3.49Å; F1561-T1565 PolarHBondContact O-OG1 3.26Å; F1561-W1591 HydrophobicContact CE1-CH2 4.15Å; F1561-W1591 HydrophobicContact CE1-CZ3 4.1Å; F1561-W1591 AromaticContact CZ-CH2 3.99Å; F1561-W1591 HydrophobicContact CZ-CH2 3.99Å; F1561-W1591 HydrophobicContact CZ-CZ3 4.34Å; F1561-Y1612 HydrophobicContact CD2-CD2 4.31Å; F1561-Y1612 AromaticContact CE2-CD2 3.96Å; F1561-Y1612 HydrophobicContact CE2-CD2 3.96Å; F1561-A1615 HydrophobicContact CB-CB 3.74Å; F1561-F1616 HydrophobicContact CD1-CD2 4.15Å; F1561-F1616 HydrophobicContact CD2-CB 3.8Å; F1561-F1616 HydrophobicContact CD2-CD2 4.31Å; F1561-F1616 AromaticContact CE1-CD2 3.69Å; F1561-F1616 HydrophobicContact CE1-CD2 3.69Å; F1561-F1616 HydrophobicContact CE1-CE2 4.36Å; F1561-F1616 HydrophobicContact CE2-CB 3.97Å; F1561-F1616 AromaticContact CE2-CD2 3.87Å; F1561-F1616 HydrophobicContact CE2-CD2 3.87Å; F1561-F1616 HydrophobicContact CE2-CG 4.32Å; F1561-F1616 HydrophobicContact CG-CB 4.2Å; F1561-F1616 HydrophobicContact CG-CD2 4.47Å; F1561-F1616 HydrophobicContact CZ-CB 4.5Å; F1561-F1616 AromaticContact CZ-CD2 3.55Å; F1561-F1616 HydrophobicContact CZ-CD2 3.55Å; F1561-F1616 HydrophobicContact CZ-CE2 4.27Å; F1561-F1616 HydrophobicContact CZ-CG 4.43Å; F1561-F1619 HydrophobicContact CB-CB 4.3Å; F1561-F1619 HydrophobicContact CD1-CB 4.21Å; F1561-F1619 AromaticContact CD1-CD1 3.74Å; F1561-F1619 HydrophobicContact CD1-CD1 3.74Å; F1561-F1619 HydrophobicContact CD1-CE1 4.31Å; F1561-F1619 HydrophobicContact CD1-CG 4.01Å; F1561-F1619 HydrophobicContact CE1-CD1 4.03Å; F1561-F1619 HydrophobicContact CE1-CE1 4.3Å |
| 1562 | A | 85.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1481 I1503 I1507 R1558 Y1559 A1560 T1565 I1566 A1615 | Y1481-A1562 HydrophobicContact CE2-CB 4.22Å; I1503-A1562 HydrophobicContact CD1-CB 3.64Å; I1503-A1562 HydrophobicContact CG1-CB 3.7Å; I1507-A1562 HydrophobicContact CD1-CB 3.99Å; I1507-A1562 HydrophobicContact CG1-CB 4.3Å; R1558-A1562 PolarHBondContact O-N 3.03Å; Y1559-A1562 PolarHBondContact O-N 3.16Å; A1560-A1562 VanDerWaalsContact C-N 3.33Å; A1560-A1562 PolarHBondContact O-N 2.75Å; A1562-T1565 WeakPolarHBondContact O-CB 3.35Å; A1562-T1565 PolarHBondContact O-N 2.88Å; A1562-T1565 VanDerWaalsContact O-N 3.16Å; A1562-I1566 VanDerWaalsContact O-CG1 3.31Å; A1562-I1566 WeakPolarHBondContact O-CG1 3.25Å; A1562-I1566 PolarHBondContact O-N 3.13Å; A1562-A1615 HydrophobicContact CB-CB 4.38Å |
| 1563 | L | 85.9 | Confident | 77.3 | Confident | 6 Ų | 6 | 21.2 Ų | 21.2 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.8 | -80.7 | 162.6 | 0 | 0 | 0 | 112.8 | L1477 I1480 L1484 L1521 L1530 Y1559 A1560 T1565 I1566 Q1567 | L1477-L1563 HydrophobicContact CD2-CD1 3.47Å; L1477-L1563 VanDerWaalsContact CD2-CD1 3.47Å; I1480-L1563 HydrophobicContact CG2-CD1 4.07Å; I1480-L1563 HydrophobicContact CG2-CD2 3.77Å; I1480-L1563 HydrophobicContact CG2-CG 4.5Å; L1484-L1563 HydrophobicContact CD1-CD2 4.07Å; L1521-L1563 HydrophobicContact CD2-CD2 4.38Å; L1530-L1563 HydrophobicContact CD1-CB 4.28Å; Y1559-L1563 PolarHBondContact O-N 3.31Å; A1560-L1563 PolarHBondContact O-N 3.22Å; L1563-T1565 VanDerWaalsContact C-N 3.26Å; L1563-T1565 PolarHBondContact O-N 2.8Å; L1563-I1566 PolarHBondContact O-N 2.89Å; L1563-Q1567 WeakPolarHBondContact O-CG 3.48Å; L1563-Q1567 PolarHBondContact O-N 2.93Å |
| 1564 | L | 88.5 | Confident | 76.6 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 173.2 | -76 | 170 | 0 | 0 | 0 | 112 | F1527 L1530 F1531 I1535 A1560 F1561 Q1567 L1568 F1619 | F1527-L1564 HydrophobicContact CD2-CD2 3.41Å; F1527-L1564 VanDerWaalsContact CD2-CD2 3.41Å; F1527-L1564 HydrophobicContact CE2-CB 4.36Å; F1527-L1564 HydrophobicContact CE2-CD2 3.52Å; F1527-L1564 HydrophobicContact CG-CD2 4.02Å; F1527-L1564 HydrophobicContact CZ-CD2 4.22Å; L1530-L1564 HydrophobicContact CB-CD1 4.43Å; L1530-L1564 HydrophobicContact CB-CD2 3.61Å; L1530-L1564 HydrophobicContact CB-CG 3.98Å; F1531-L1564 HydrophobicContact CB-CD1 4.47Å; F1531-L1564 HydrophobicContact CB-CD2 4.05Å; I1535-L1564 HydrophobicContact CG1-CD1 3.85Å; A1560-L1564 WeakPolarHBondContact O-CB 3.38Å; A1560-L1564 WeakPolarHBondContact O-CG 3.25Å; A1560-L1564 PolarHBondContact O-N 3.2Å; F1561-L1564 HydrophobicContact CD1-CD1 4.33Å; F1561-L1564 PolarHBondContact O-N 3.35Å; L1564-Q1567 PolarHBondContact O-N 3.34Å; L1564-L1568 WeakPolarHBondContact O-CG 3.48Å; L1564-L1568 PolarHBondContact O-N 3.45Å; L1564-F1619 HydrophobicContact CB-CD2 3.62Å; L1564-F1619 HydrophobicContact CB-CE2 3.62Å; L1564-F1619 HydrophobicContact CD1-CE2 4.1Å; L1564-F1619 HydrophobicContact CD1-CZ 4.24Å; L1564-F1619 HydrophobicContact CG-CE2 4.33Å |
| 1565 | T | 87.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -45.8 | 175.9 | -51 | 0 | 0 | 0 | 0 | 110.9 | I1507 F1561 A1562 L1563 Q1567 L1568 Q1569 R1618 F1619 E1622 | I1507-T1565 HydrophobicContact CG2-CG2 3.62Å; F1561-T1565 WeakPolarHBondContact O-CB 3.35Å; F1561-T1565 PolarHBondContact O-N 3.49Å; F1561-T1565 PolarHBondContact O-OG1 3.26Å; A1562-T1565 WeakPolarHBondContact O-CB 3.35Å; A1562-T1565 PolarHBondContact O-N 2.88Å; A1562-T1565 VanDerWaalsContact O-N 3.16Å; L1563-T1565 VanDerWaalsContact C-N 3.26Å; L1563-T1565 PolarHBondContact O-N 2.8Å; T1565-Q1567 VanDerWaalsContact C-N 3.28Å; T1565-Q1567 PolarHBondContact O-N 2.93Å; T1565-L1568 PolarHBondContact O-N 3.4Å; T1565-Q1569 WeakPolarHBondContact O-CG 3.48Å; T1565-Q1569 PolarHBondContact O-N 3.2Å; T1565-Q1569 VanDerWaalsContact O-N 3.08Å; T1565-R1618 HydrophobicContact CG2-CB 4.2Å; T1565-F1619 WeakPolarHBondContact OG1-CA 3.37Å; T1565-F1619 WeakPolarHBondContact OG1-CB 3.23Å; T1565-F1619 PolarHBondContact OG1-N 3.42Å; T1565-E1622 HydrophobicContact CG2-CB 3.93Å; T1565-E1622 HydrophobicContact CG2-CG 4.24Å |
| 1566 | I | 84.6 | Confident | 74.3 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -40 | 177 | -65 | 170.6 | 0 | 0 | 0 | 110.8 | L1484 I1507 L1513 A1562 L1563 Q1569 | L1484-I1566 HydrophobicContact CD1-CD1 3.94Å; I1507-I1566 HydrophobicContact CG1-CG1 4.45Å; L1513-I1566 HydrophobicContact CD1-CG2 4.08Å; A1562-I1566 VanDerWaalsContact O-CG1 3.31Å; A1562-I1566 WeakPolarHBondContact O-CG1 3.25Å; A1562-I1566 PolarHBondContact O-N 3.13Å; L1563-I1566 PolarHBondContact O-N 2.89Å; I1566-Q1569 PolarHBondContact O-N 3.33Å |
| 1567 | Q | 84.7 | Confident | 72.9 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 176.4 | -74.7 | 179.3 | -23.6 | 0 | 0 | 113.4 | F1518 F1525 F1527 L1563 L1564 T1565 | F1518-Q1567 HydrophobicContact CE2-CG 4.27Å; F1518-Q1567 HydrophobicContact CZ-CB 4.5Å; F1518-Q1567 HydrophobicContact CZ-CG 4.37Å; F1525-Q1567 PolarHBondContact O-NE2 3.37Å; F1527-Q1567 VanDerWaalsContact CA-OE1 3.27Å; F1527-Q1567 HydrophobicContact CD2-CB 4.18Å; L1563-Q1567 WeakPolarHBondContact O-CG 3.48Å; L1563-Q1567 PolarHBondContact O-N 2.93Å; L1564-Q1567 PolarHBondContact O-N 3.34Å; T1565-Q1567 VanDerWaalsContact C-N 3.28Å; T1565-Q1567 PolarHBondContact O-N 2.93Å |
| 1568 | L | 82.4 | Confident | 71.5 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -36 | 176.5 | -73.4 | 167.4 | 0 | 0 | 0 | 112.6 | F1527 L1564 T1565 Q1570 Q1571 I1580 F1619 E1622 L1623 V1626 | F1527-L1568 HydrophobicContact CD2-CD2 4.47Å; F1527-L1568 HydrophobicContact CD2-CG 4.37Å; F1527-L1568 HydrophobicContact CE2-CD1 3.97Å; F1527-L1568 HydrophobicContact CE2-CD2 3.71Å; F1527-L1568 HydrophobicContact CE2-CG 3.61Å; F1527-L1568 HydrophobicContact CZ-CD1 4.42Å; F1527-L1568 HydrophobicContact CZ-CD2 3.98Å; F1527-L1568 HydrophobicContact CZ-CG 4.29Å; L1564-L1568 WeakPolarHBondContact O-CG 3.48Å; L1564-L1568 PolarHBondContact O-N 3.45Å; T1565-L1568 PolarHBondContact O-N 3.4Å; L1568-Q1570 PolarHBondContact O-N 2.69Å; L1568-Q1571 PolarHBondContact O-N 3.22Å; L1568-I1580 HydrophobicContact CD2-CD1 4.24Å; L1568-F1619 HydrophobicContact CD1-CD2 3.7Å; L1568-F1619 HydrophobicContact CD1-CE2 3.54Å; L1568-E1622 HydrophobicContact CB-CB 4.29Å; L1568-E1622 HydrophobicContact CB-CG 3.68Å; L1568-E1622 HydrophobicContact CD1-CB 4.33Å; L1568-L1623 HydrophobicContact CD1-CD2 3.75Å; L1568-L1623 HydrophobicContact CD1-CG 3.75Å; L1568-L1623 HydrophobicContact CD2-CD2 4.13Å; L1568-V1626 HydrophobicContact CB-CG2 4.15Å; L1568-V1626 HydrophobicContact CD2-CG2 4.15Å |
| 1569 | Q | 78.2 | Confident | 70.3 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -28.5 | -179.1 | -77.3 | 178.2 | -11.2 | 0 | 0 | 113.8 | I1507 S1510 T1565 I1566 E1622 | I1507-Q1569 PolarHBondContact O-NE2 2.72Å; I1507-Q1569 PolarHBondContact O-OE1 2.96Å; S1510-Q1569 PolarHBondContact OG-OE1 2.7Å; T1565-Q1569 WeakPolarHBondContact O-CG 3.48Å; T1565-Q1569 PolarHBondContact O-N 3.2Å; T1565-Q1569 VanDerWaalsContact O-N 3.08Å; I1566-Q1569 PolarHBondContact O-N 3.33Å; Q1569-E1622 HydrophobicContact CG-CG 3.8Å; Q1569-E1622 WeakPolarHBondContact CG-OE2 3.39Å; Q1569-E1622 PolarHBondContact NE2-OE2 3.48Å |
| 1570 | Q | 72.4 | Confident | 69.6 | Low | 13 Ų | 13 | 44.5 Ų | 44.5 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -87.9 | -8.3 | -177.9 | -69.9 | -127.8 | -9.5 | 0 | 0 | 114.5 | L1513 F1518 L1568 G1572 S1573 | L1513-Q1570 PolarHBondContact O-NE2 3.5Å; F1518-Q1570 HydrophobicContact CD1-CB 4.34Å; F1518-Q1570 HydrophobicContact CD1-CG 4.47Å; F1518-Q1570 HydrophobicContact CD2-CB 4.12Å; F1518-Q1570 VanDerWaalsContact CD2-CD 3.48Å; F1518-Q1570 HydrophobicContact CD2-CG 3.6Å; F1518-Q1570 HydrophobicContact CE1-CB 3.86Å; F1518-Q1570 HydrophobicContact CE1-CG 4.38Å; F1518-Q1570 HydrophobicContact CE2-CB 3.6Å; F1518-Q1570 HydrophobicContact CE2-CG 3.48Å; F1518-Q1570 VanDerWaalsContact CE2-CG 3.48Å; F1518-Q1570 HydrophobicContact CG-CB 4.46Å; F1518-Q1570 HydrophobicContact CG-CG 4.1Å; F1518-Q1570 VanDerWaalsContact CG-OE1 3.25Å; F1518-Q1570 HydrophobicContact CZ-CB 3.46Å; F1518-Q1570 VanDerWaalsContact CZ-CB 3.46Å; F1518-Q1570 HydrophobicContact CZ-CG 3.92Å; L1568-Q1570 PolarHBondContact O-N 2.69Å; Q1570-G1572 PolarHBondContact O-N 3.34Å; Q1570-S1573 PolarHBondContact O-N 2.72Å; Q1570-S1573 PolarHBondContact O-OG 3.23Å |
| 1571 | Q | 62.9 | Low | 69.2 | Low | 54 Ų | 54 | 47.6 Ų | 47.6 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -66.7 | -19.2 | 174.1 | -97.7 | -135.6 | -35.6 | 0 | 0 | 113.7 | L1568 M1578 I1580 | L1568-Q1571 PolarHBondContact O-N 3.22Å; Q1571-M1578 PolarHBondContact NE2-O 2.74Å; Q1571-I1580 HydrophobicContact CG-CD1 4.1Å; Q1571-I1580 HydrophobicContact CG-CG1 4.34Å |
| 1572 | G | 54 | Low | 68.4 | Low | 67 Ų | 67 | 52.7 Ų | 52.7 | 69% | 0.691 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -91.6 | -10.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q1570 | Q1570-G1572 PolarHBondContact O-N 3.34Š|
| 1573 | S | 49.3 | Very low | 67.9 | Low | 48 Ų | 48 | 60.3 Ų | 60.3 | 34% | 0.336 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -88.1 | 145.5 | 173.4 | 40.3 | 0 | 0 | 0 | 0 | 109.6 | Q1570 H1575 | Q1570-S1573 PolarHBondContact O-N 2.72Å; Q1570-S1573 PolarHBondContact O-OG 3.23Å; S1573-H1575 PolarHBondContact O-N 3.34Å |
| 1574 | D | 48.2 | Very low | 67.7 | Low | 166 Ų | 166 | 60.3 Ų | 60.3 | 89% | 0.888 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -56.2 | 26.8 | -178.4 | -70.7 | -40.3 | 0 | 0 | 0 | 116.2 | D1576 | D1574-D1576 PolarHBondContact O-N 3.49Š|
| 1575 | H | 46.8 | Very low | 67.3 | Low | 93 Ų | 93 | 60.4 Ų | 60.4 | 43% | 0.431 | 34% | 0.336 | S | S | . | . | trans | -87.8 | 92.3 | 175.5 | -64 | -42.1 | 0 | 0 | 0 | 108.8 | S1573 S1577 | S1573-H1575 PolarHBondContact O-N 3.34Å; H1575-S1577 PolarHBondContact O-N 3.04Å | ||
| 1576 | D | 46.4 | Very low | 66.9 | Low | 175 Ų | 175 | 63.1 Ų | 63.1 | 94% | 0.936 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 6.9 | 179.7 | -77.4 | -34.3 | 0 | 0 | 0 | 117.3 | D1574 | D1574-D1576 PolarHBondContact O-N 3.49Š|
| 1577 | S | 49.1 | Very low | 66.8 | Low | 76 Ų | 76 | 65.6 Ų | 65.6 | 53% | 0.531 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 6.1 | -163.1 | 60.3 | 0 | 0 | 0 | 0 | 116.4 | H1575 | H1575-S1577 PolarHBondContact O-N 3.04Š|
| 1578 | M | 51.8 | Low | 66.8 | Low | 41 Ų | 41 | 65.3 Ų | 65.3 | 20% | 0.202 | 37% | 0.366 | C | S | . | . | trans | -145 | 94 | 178 | -93.7 | -138.4 | 72.7 | 0 | 0 | 114.2 | N1522 Q1571 I1580 | N1522-M1578 HydrophobicContact CB-SD 4.37Å; N1522-M1578 PolarHBondContact ND2-SD 3.1Å; N1522-M1578 PolarHBondContact OD1-SD 3.02Å; N1522-M1578 VanDerWaalsContact OD1-SD 3.35Å; Q1571-M1578 PolarHBondContact NE2-O 2.74Å; M1578-I1580 HydrophobicContact CE-CD1 4.29Å; M1578-I1580 HydrophobicContact CE-CG1 3.4Å; M1578-I1580 PolarHBondContact O-N 3.18Å | ||
| 1579 | D | 58.5 | Low | 66.7 | Low | 155 Ų | 155 | 65.5 Ų | 65.5 | 83% | 0.829 | 37% | 0.367 | S | S | * | . | trans | -82 | 88.3 | 156.7 | -98.7 | -24.5 | 0 | 0 | 0 | 109 | S1581 | D1579-S1581 PolarHBondContact O-N 3.18Š| ||
| 1580 | I | 71.5 | Confident | 66.8 | Low | 6 Ų | 6 | 69.6 Ų | 69.6 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | trans | -60.6 | 123.2 | 156.7 | -57.7 | 174 | 0 | 0 | 0 | 105.4 | F1527 L1568 Q1571 M1578 K1582 L1584 I1585 | F1527-I1580 HydrophobicContact CB-CD1 3.9Å; F1527-I1580 HydrophobicContact CB-CG1 4.15Å; F1527-I1580 HydrophobicContact CD1-CD1 4.15Å; F1527-I1580 HydrophobicContact CD1-CG1 4.47Å; F1527-I1580 HydrophobicContact CD1-CG2 3.46Å; F1527-I1580 VanDerWaalsContact CD1-CG2 3.46Å; F1527-I1580 HydrophobicContact CD2-CD1 3.81Å; F1527-I1580 HydrophobicContact CE1-CG2 3.8Å; F1527-I1580 HydrophobicContact CE2-CD1 4.39Å; F1527-I1580 HydrophobicContact CG-CD1 3.68Å; F1527-I1580 HydrophobicContact CG-CG1 4.25Å; F1527-I1580 HydrophobicContact CG-CG2 4.07Å; L1568-I1580 HydrophobicContact CD2-CD1 4.24Å; Q1571-I1580 HydrophobicContact CG-CD1 4.1Å; Q1571-I1580 HydrophobicContact CG-CG1 4.34Å; M1578-I1580 HydrophobicContact CE-CD1 4.29Å; M1578-I1580 HydrophobicContact CE-CG1 3.4Å; M1578-I1580 PolarHBondContact O-N 3.18Å; I1580-K1582 PolarHBondContact O-N 2.74Å; I1580-L1584 HydrophobicContact CG2-CD2 4Å; I1580-I1585 HydrophobicContact CB-CD1 4.13Å; I1580-I1585 HydrophobicContact CB-CG1 4.26Å; I1580-I1585 HydrophobicContact CG2-CD1 4.11Å; I1580-I1585 HydrophobicContact CG2-CG1 3.66Å | ||
| 1581 | S | 76.2 | Confident | 67.4 | Low | 64 Ų | 64 | 69.9 Ų | 69.9 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | trans | -58.4 | 132.4 | -174.8 | 74.3 | 0 | 0 | 0 | 0 | 110.7 | D1579 E1583 L1584 I1585 | D1579-S1581 PolarHBondContact O-N 3.18Å; S1581-E1583 PolarHBondContact O-N 3.01Å; S1581-L1584 WeakPolarHBondContact O-CA 3.21Å; S1581-L1584 VanDerWaalsContact O-CB 3.28Å; S1581-L1584 WeakPolarHBondContact O-CB 3.44Å; S1581-L1584 PolarHBondContact O-N 3.14Å; S1581-L1584 WeakPolarHBondContact OG-CB 3.16Å; S1581-L1584 PolarHBondContact OG-N 3.26Å; S1581-I1585 PolarHBondContact O-N 3.45Å; S1581-I1585 VanDerWaalsContact O-N 3.1Å | ||
| 1582 | K | 71.3 | Confident | 68.4 | Low | 108 Ų | 108 | 67.3 Ų | 67.3 | 47% | 0.47 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.1 | -36.9 | 179.8 | -70.4 | -171.8 | -178.9 | -156 | 0 | 112.2 | I1580 L1584 I1585 L1586 D1630 | I1580-K1582 PolarHBondContact O-N 2.74Å; K1582-L1584 VanDerWaalsContact C-N 3.28Å; K1582-L1584 PolarHBondContact O-N 3.1Å; K1582-I1585 PolarHBondContact O-N 3.15Å; K1582-L1586 WeakPolarHBondContact O-CB 3.47Å; K1582-L1586 PolarHBondContact O-N 3.34Å; K1582-D1630 WeakPolarHBondContact CD-OD2 3.08Å; K1582-D1630 WeakPolarHBondContact CE-OD2 3.37Å; K1582-D1630 IonicContact NZ-OD1 3.94Å; K1582-D1630 PolarHBondContact NZ-OD1 3.47Å; K1582-D1630 IonicContact NZ-OD2 3.69Å; K1582-D1630 PolarHBondContact NZ-OD2 3.07Å |
| 1583 | E | 76.5 | Confident | 69.4 | Low | 160 Ų | 160 | 64.7 Ų | 64.7 | 75% | 0.748 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.8 | -37.2 | 174.2 | -68.6 | -174.4 | 166 | 0 | 0 | 112.6 | S1581 S1587 | S1581-E1583 PolarHBondContact O-N 3.01Å; E1583-S1587 VanDerWaalsContact O-CB 3.24Å; E1583-S1587 WeakPolarHBondContact O-CB 3.28Å; E1583-S1587 PolarHBondContact O-N 3.01Å; E1583-S1587 PolarHBondContact O-OG 3.27Å |
| 1584 | L | 81 | Confident | 70.7 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.3 | -41.6 | 177.5 | -171.9 | 71.4 | 0 | 0 | 0 | 111.4 | F1527 Q1528 F1531 Q1532 I1580 S1581 K1582 S1587 A1588 | F1527-L1584 HydrophobicContact CD1-CD2 3.59Å; F1527-L1584 HydrophobicContact CD1-CG 4.29Å; F1527-L1584 HydrophobicContact CE1-CD2 3.91Å; F1527-L1584 HydrophobicContact CE1-CG 4.09Å; Q1528-L1584 HydrophobicContact CB-CD2 3.91Å; Q1528-L1584 HydrophobicContact CG-CD2 4.14Å; F1531-L1584 HydrophobicContact CD1-CD1 3.96Å; F1531-L1584 HydrophobicContact CD1-CG 4.39Å; F1531-L1584 HydrophobicContact CE1-CD1 4.49Å; Q1532-L1584 HydrophobicContact CB-CD1 4.39Å; Q1532-L1584 HydrophobicContact CG-CD1 3.55Å; Q1532-L1584 VanDerWaalsContact NE2-CD1 3.3Å; I1580-L1584 HydrophobicContact CG2-CD2 4Å; S1581-L1584 WeakPolarHBondContact O-CA 3.21Å; S1581-L1584 VanDerWaalsContact O-CB 3.28Å; S1581-L1584 WeakPolarHBondContact O-CB 3.44Å; S1581-L1584 PolarHBondContact O-N 3.14Å; S1581-L1584 WeakPolarHBondContact OG-CB 3.16Å; S1581-L1584 PolarHBondContact OG-N 3.26Å; K1582-L1584 VanDerWaalsContact C-N 3.28Å; K1582-L1584 PolarHBondContact O-N 3.1Å; L1584-S1587 PolarHBondContact O-N 3.35Å; L1584-A1588 VanDerWaalsContact O-CB 3.31Å; L1584-A1588 WeakPolarHBondContact O-CB 3.45Å; L1584-A1588 PolarHBondContact O-N 2.99Å |
| 1585 | I | 80.3 | Confident | 72.2 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 174.3 | -60.2 | 174.8 | 0 | 0 | 0 | 110 | I1580 S1581 K1582 S1587 A1588 F1589 L1623 V1626 L1627 | I1580-I1585 HydrophobicContact CB-CD1 4.13Å; I1580-I1585 HydrophobicContact CB-CG1 4.26Å; I1580-I1585 HydrophobicContact CG2-CD1 4.11Å; I1580-I1585 HydrophobicContact CG2-CG1 3.66Å; S1581-I1585 PolarHBondContact O-N 3.45Å; S1581-I1585 VanDerWaalsContact O-N 3.1Å; K1582-I1585 PolarHBondContact O-N 3.15Å; I1585-S1587 VanDerWaalsContact C-N 3.33Å; I1585-S1587 PolarHBondContact O-N 3.22Å; I1585-A1588 PolarHBondContact O-N 2.97Å; I1585-F1589 WeakPolarHBondContact O-CB 3.38Å; I1585-F1589 PolarHBondContact O-N 3.41Å; I1585-L1623 HydrophobicContact CG2-CD2 3.9Å; I1585-V1626 HydrophobicContact CD1-CG1 3.84Å; I1585-L1627 HydrophobicContact CG2-CD2 3.78Å; I1585-L1627 HydrophobicContact CG2-CG 3.86Å |
| 1586 | L | 78.9 | Confident | 73.4 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 29% | 0.293 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 175.6 | -117.2 | 100.3 | 0 | 0 | 0 | 111.6 | K1582 F1589 Q1590 L1627 I1634 | K1582-L1586 WeakPolarHBondContact O-CB 3.47Å; K1582-L1586 PolarHBondContact O-N 3.34Å; L1586-F1589 PolarHBondContact O-N 2.89Å; L1586-Q1590 WeakPolarHBondContact O-CB 3.36Å; L1586-Q1590 VanDerWaalsContact O-CG 3.32Å; L1586-Q1590 WeakPolarHBondContact O-CG 3.36Å; L1586-Q1590 PolarHBondContact O-N 3.24Å; L1586-L1627 HydrophobicContact CD1-CD2 3.85Å; L1586-I1634 HydrophobicContact CD1-CD1 3.87Å |
| 1587 | S | 81.6 | Confident | 74.6 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 177.5 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | E1583 L1584 I1585 Q1590 W1591 | E1583-S1587 VanDerWaalsContact O-CB 3.24Å; E1583-S1587 WeakPolarHBondContact O-CB 3.28Å; E1583-S1587 PolarHBondContact O-N 3.01Å; E1583-S1587 PolarHBondContact O-OG 3.27Å; L1584-S1587 PolarHBondContact O-N 3.35Å; I1585-S1587 VanDerWaalsContact C-N 3.33Å; I1585-S1587 PolarHBondContact O-N 3.22Å; S1587-Q1590 PolarHBondContact O-N 3.04Å; S1587-W1591 WeakPolarHBondContact O-CB 3.28Å; S1587-W1591 PolarHBondContact O-N 3.25Å |
| 1588 | A | 84.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1531 L1584 I1585 S1592 F1619 L1623 | F1531-A1588 HydrophobicContact CD1-CB 3.97Å; F1531-A1588 HydrophobicContact CD2-CB 3.95Å; F1531-A1588 HydrophobicContact CE1-CB 3.62Å; F1531-A1588 HydrophobicContact CE2-CB 3.61Å; F1531-A1588 HydrophobicContact CG-CB 4.15Å; F1531-A1588 HydrophobicContact CZ-CB 3.48Å; F1531-A1588 VanDerWaalsContact CZ-CB 3.48Å; L1584-A1588 VanDerWaalsContact O-CB 3.31Å; L1584-A1588 WeakPolarHBondContact O-CB 3.45Å; L1584-A1588 PolarHBondContact O-N 2.99Å; I1585-A1588 PolarHBondContact O-N 2.97Å; A1588-S1592 VanDerWaalsContact O-CB 3.3Å; A1588-S1592 WeakPolarHBondContact O-CB 3.42Å; A1588-S1592 PolarHBondContact O-N 3.41Å; A1588-S1592 PolarHBondContact O-OG 3.43Å; A1588-F1619 HydrophobicContact CB-CZ 4.33Å; A1588-L1623 HydrophobicContact CB-CD1 4.05Å; A1588-L1623 HydrophobicContact CB-CD2 3.96Å |
| 1589 | F | 82.1 | Confident | 76.6 | Confident | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.022 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.1 | -49.8 | 174.2 | -180 | -108.1 | 0 | 0 | 0 | 112 | I1585 L1586 W1591 S1592 C1593 H1620 L1623 I1624 L1627 H1639 M1642 | I1585-F1589 WeakPolarHBondContact O-CB 3.38Å; I1585-F1589 PolarHBondContact O-N 3.41Å; L1586-F1589 PolarHBondContact O-N 2.89Å; F1589-W1591 VanDerWaalsContact C-N 3.29Å; F1589-W1591 PolarHBondContact O-N 3.28Å; F1589-S1592 WeakPolarHBondContact CA-OG 3.47Å; F1589-S1592 PolarHBondContact O-N 3.02Å; F1589-S1592 PolarHBondContact O-OG 3.28Å; F1589-C1593 WeakPolarHBondContact CZ-SG 3.45Å; F1589-C1593 WeakPolarHBondContact O-CB 3.5Å; F1589-C1593 PolarHBondContact O-N 2.92Å; F1589-C1593 PolarHBondContact O-SG 3.43Å; F1589-H1620 AromaticContact CE2-CE1 3.69Å; F1589-L1623 HydrophobicContact CD2-CB 4.35Å; F1589-I1624 HydrophobicContact CD2-CG1 4.14Å; F1589-I1624 HydrophobicContact CE2-CD1 4.28Å; F1589-I1624 HydrophobicContact CE2-CG1 3.5Å; F1589-I1624 VanDerWaalsContact CE2-CG1 3.5Å; F1589-I1624 HydrophobicContact CZ-CG1 4.4Å; F1589-L1627 HydrophobicContact CB-CD1 3.55Å; F1589-L1627 HydrophobicContact CD1-CD1 3.7Å; F1589-L1627 HydrophobicContact CD2-CD1 3.89Å; F1589-L1627 HydrophobicContact CE1-CD1 4.39Å; F1589-L1627 HydrophobicContact CG-CD1 3.4Å; F1589-H1639 AromaticContact CD1-NE2 3.98Å; F1589-H1639 AromaticContact CE1-CD2 3.23Å; F1589-H1639 WeakPolarHBondContact CE1-CD2 3Å; F1589-H1639 AromaticContact CE1-NE2 3.5Å; F1589-H1639 AromaticContact CZ-CD2 3.65Å; F1589-M1642 HydrophobicContact CE1-CE 3.63Å; F1589-M1642 HydrophobicContact CZ-CE 3.77Å |
| 1590 | Q | 79.6 | Confident | 76.8 | Confident | 113 Ų | 113 | 48.4 Ų | 48.4 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.5 | -41 | 176.2 | -72.8 | 179.1 | 4.1 | 0 | 0 | 112 | L1586 S1587 K1594 | L1586-Q1590 WeakPolarHBondContact O-CB 3.36Å; L1586-Q1590 VanDerWaalsContact O-CG 3.32Å; L1586-Q1590 WeakPolarHBondContact O-CG 3.36Å; L1586-Q1590 PolarHBondContact O-N 3.24Å; S1587-Q1590 PolarHBondContact O-N 3.04Å; Q1590-K1594 PolarHBondContact O-N 2.93Å |
| 1591 | W | 84.6 | Confident | 76.6 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 176.1 | 176.5 | 88.7 | 0 | 0 | 0 | 111.6 | F1531 I1535 H1536 F1539 F1561 S1587 F1589 C1593 K1594 Q1595 F1616 | F1531-W1591 HydrophobicContact CE2-CD2 4.12Å; F1531-W1591 AromaticContact CE2-CE3 3.72Å; F1531-W1591 HydrophobicContact CE2-CE3 3.72Å; F1531-W1591 HydrophobicContact CE2-CZ3 4.17Å; F1531-W1591 HydrophobicContact CZ-CB 4.15Å; F1531-W1591 HydrophobicContact CZ-CD2 4.2Å; F1531-W1591 HydrophobicContact CZ-CE3 4.2Å; F1531-W1591 HydrophobicContact CZ-CG 4.21Å; I1535-W1591 HydrophobicContact CG2-CH2 3.17Å; I1535-W1591 HydrophobicContact CG2-CZ2 3.63Å; I1535-W1591 HydrophobicContact CG2-CZ3 3.69Å; H1536-W1591 AromaticContact CE1-CD1 3.54Å; H1536-W1591 AromaticContact ND1-CD1 3.16Å; H1536-W1591 AromaticContact ND1-CG 3.71Å; H1536-W1591 AromaticContact ND1-NE1 3.55Å; F1539-W1591 HydrophobicContact CB-CH2 4.28Å; F1539-W1591 HydrophobicContact CB-CZ2 3.93Å; F1539-W1591 AromaticContact CD1-CH2 3.55Å; F1539-W1591 HydrophobicContact CD1-CH2 3.55Å; F1539-W1591 AromaticContact CD1-CZ2 3.45Å; F1539-W1591 HydrophobicContact CD1-CZ2 3.45Å; F1539-W1591 VanDerWaalsContact CD1-CZ2 3.45Å; F1539-W1591 HydrophobicContact CE1-CH2 4.19Å; F1539-W1591 HydrophobicContact CE1-CZ2 4.36Å; F1539-W1591 HydrophobicContact CG-CH2 4.16Å; F1539-W1591 HydrophobicContact CG-CZ2 4.08Å; F1561-W1591 HydrophobicContact CE1-CH2 4.15Å; F1561-W1591 HydrophobicContact CE1-CZ3 4.1Å; F1561-W1591 AromaticContact CZ-CH2 3.99Å; F1561-W1591 HydrophobicContact CZ-CH2 3.99Å; F1561-W1591 HydrophobicContact CZ-CZ3 4.34Å; S1587-W1591 WeakPolarHBondContact O-CB 3.28Å; S1587-W1591 PolarHBondContact O-N 3.25Å; F1589-W1591 VanDerWaalsContact C-N 3.29Å; F1589-W1591 PolarHBondContact O-N 3.28Å; W1591-C1593 VanDerWaalsContact C-N 3.31Å; W1591-C1593 PolarHBondContact O-N 2.88Å; W1591-K1594 WeakPolarHBondContact O-CB 3.38Å; W1591-K1594 PolarHBondContact O-N 3.39Å; W1591-K1594 VanDerWaalsContact O-N 3.12Å; W1591-Q1595 HydrophobicContact CD2-CG 3.8Å; W1591-Q1595 HydrophobicContact CE3-CG 4.04Å; W1591-Q1595 HydrophobicContact CG-CG 4.47Å; W1591-Q1595 HydrophobicContact CH2-CG 3.81Å; W1591-Q1595 HydrophobicContact CZ2-CG 3.61Å; W1591-Q1595 HydrophobicContact CZ3-CG 4.03Å; W1591-Q1595 WeakPolarHBondContact O-CG 3.38Å; W1591-Q1595 PolarHBondContact O-N 3.4Å; W1591-F1616 AromaticContact CZ3-CE2 3.99Å; W1591-F1616 HydrophobicContact CZ3-CE2 3.99Å |
| 1592 | S | 83.4 | Confident | 76 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | 180 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | A1588 F1589 K1594 Q1595 I1596 H1620 | A1588-S1592 VanDerWaalsContact O-CB 3.3Å; A1588-S1592 WeakPolarHBondContact O-CB 3.42Å; A1588-S1592 PolarHBondContact O-N 3.41Å; A1588-S1592 PolarHBondContact O-OG 3.43Å; F1589-S1592 WeakPolarHBondContact CA-OG 3.47Å; F1589-S1592 PolarHBondContact O-N 3.02Å; F1589-S1592 PolarHBondContact O-OG 3.28Å; S1592-K1594 PolarHBondContact O-N 3.08Å; S1592-Q1595 PolarHBondContact O-N 3.27Å; S1592-I1596 WeakPolarHBondContact O-CG1 3.47Å; S1592-I1596 PolarHBondContact O-N 2.89Å; S1592-H1620 WeakPolarHBondContact CB-ND1 3.45Å; S1592-H1620 PolarHBondContact OG-ND1 3.04Å |
| 1593 | C | 75.8 | Confident | 75.6 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 171.9 | -69.7 | 0 | 0 | 0 | 0 | 112.6 | F1589 W1591 K1597 M1642 | F1589-C1593 WeakPolarHBondContact CZ-SG 3.45Å; F1589-C1593 WeakPolarHBondContact O-CB 3.5Å; F1589-C1593 PolarHBondContact O-N 2.92Å; F1589-C1593 PolarHBondContact O-SG 3.43Å; W1591-C1593 VanDerWaalsContact C-N 3.31Å; W1591-C1593 PolarHBondContact O-N 2.88Å; C1593-K1597 PolarHBondContact O-N 3.4Å; C1593-M1642 HydrophobicContact CB-CE 4.13Å; C1593-M1642 HydrophobicContact CB-SD 3.83Å; C1593-M1642 WeakPolarHBondContact SG-CE 3.28Å; C1593-M1642 VanDerWaalsContact SG-SD 3.65Å |
| 1594 | K | 77.4 | Confident | 74.8 | Confident | 141 Ų | 141 | 49.3 Ų | 49.3 | 61% | 0.613 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.3 | -45.8 | 174 | -71.7 | 178.3 | -178.5 | 178.3 | 0 | 110.7 | Q1590 W1591 S1592 I1596 K1597 F1598 | Q1590-K1594 PolarHBondContact O-N 2.93Å; W1591-K1594 WeakPolarHBondContact O-CB 3.38Å; W1591-K1594 PolarHBondContact O-N 3.39Å; W1591-K1594 VanDerWaalsContact O-N 3.12Å; S1592-K1594 PolarHBondContact O-N 3.08Å; K1594-I1596 PolarHBondContact O-N 2.73Å; K1594-K1597 PolarHBondContact O-N 2.96Å; K1594-F1598 WeakPolarHBondContact O-CD2 3.28Å; K1594-F1598 PolarHBondContact O-N 2.69Å |
| 1595 | Q | 78.1 | Confident | 73.8 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -38.9 | -179.4 | -61.5 | -45 | -53.4 | 0 | 0 | 112.6 | F1539 L1541 W1591 S1592 K1597 F1598 L1599 F1616 | F1539-Q1595 HydrophobicContact CD1-CG 4.23Å; F1539-Q1595 HydrophobicContact CE1-CB 4.4Å; F1539-Q1595 HydrophobicContact CE1-CG 4.11Å; L1541-Q1595 VanDerWaalsContact CB-OE1 3.29Å; L1541-Q1595 HydrophobicContact CD1-CB 3.91Å; L1541-Q1595 HydrophobicContact CD1-CG 4.43Å; L1541-Q1595 WeakPolarHBondContact CD1-O 3.34Å; W1591-Q1595 HydrophobicContact CD2-CG 3.8Å; W1591-Q1595 HydrophobicContact CE3-CG 4.04Å; W1591-Q1595 HydrophobicContact CG-CG 4.47Å; W1591-Q1595 HydrophobicContact CH2-CG 3.81Å; W1591-Q1595 HydrophobicContact CZ2-CG 3.61Å; W1591-Q1595 HydrophobicContact CZ3-CG 4.03Å; W1591-Q1595 WeakPolarHBondContact O-CG 3.38Å; W1591-Q1595 PolarHBondContact O-N 3.4Å; S1592-Q1595 PolarHBondContact O-N 3.27Å; Q1595-K1597 PolarHBondContact O-N 3.2Å; Q1595-F1598 PolarHBondContact O-N 2.87Å; Q1595-F1598 VanDerWaalsContact O-N 3.14Å; Q1595-L1599 WeakPolarHBondContact O-CB 3.16Å; Q1595-L1599 PolarHBondContact O-N 3.32Å; Q1595-F1616 HydrophobicContact CB-CE2 4.31Å; Q1595-F1616 HydrophobicContact CB-CZ 3.85Å |
| 1596 | I | 73.5 | Confident | 72.5 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 177.7 | -79 | 164.8 | 0 | 0 | 0 | 111.7 | S1592 K1594 F1598 L1599 F1600 F1616 H1620 L1646 | S1592-I1596 WeakPolarHBondContact O-CG1 3.47Å; S1592-I1596 PolarHBondContact O-N 2.89Å; K1594-I1596 PolarHBondContact O-N 2.73Å; I1596-F1598 PolarHBondContact O-N 2.97Å; I1596-L1599 PolarHBondContact O-N 3.35Å; I1596-F1600 WeakPolarHBondContact O-CB 3.28Å; I1596-F1600 PolarHBondContact O-N 3.24Å; I1596-F1616 HydrophobicContact CD1-CE1 4.18Å; I1596-F1616 HydrophobicContact CD1-CZ 4.36Å; I1596-F1616 HydrophobicContact CG1-CE1 3.41Å; I1596-F1616 VanDerWaalsContact CG1-CE1 3.41Å; I1596-F1616 HydrophobicContact CG1-CZ 3.74Å; I1596-H1620 HydrophobicContact CD1-CB 3.93Å; I1596-H1620 WeakPolarHBondContact CD1-CD2 3.36Å; I1596-H1620 VanDerWaalsContact CD1-CE1 3.48Å; I1596-H1620 WeakPolarHBondContact CD1-CE1 3.5Å; I1596-H1620 WeakPolarHBondContact CD1-ND1 3.43Å; I1596-H1620 VanDerWaalsContact CD1-NE2 3.28Å; I1596-H1620 WeakPolarHBondContact CD1-NE2 3.42Å; I1596-L1646 HydrophobicContact CD1-CD1 3.85Å; I1596-L1646 HydrophobicContact CG2-CD1 4.24Å |
| 1597 | K | 70.3 | Confident | 71.4 | Confident | 137 Ų | 137 | 62.5 Ų | 62.5 | 60% | 0.596 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -58.1 | -39.5 | 176.9 | -74.6 | -176 | 177.1 | -178.4 | 0 | 111.5 | C1593 K1594 Q1595 Q1601 | C1593-K1597 PolarHBondContact O-N 3.4Å; K1594-K1597 PolarHBondContact O-N 2.96Å; Q1595-K1597 PolarHBondContact O-N 3.2Å; K1597-Q1601 WeakPolarHBondContact O-CG 3.45Å; K1597-Q1601 PolarHBondContact O-N 3.16Å |
| 1598 | F | 71.9 | Confident | 70.1 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.1 | -48.1 | 178.1 | -90.8 | -78.8 | 0 | 0 | 0 | 114.1 | L1541 H1542 K1594 Q1595 I1596 F1600 Q1601 K1602 | L1541-F1598 HydrophobicContact CB-CB 4.07Å; L1541-F1598 HydrophobicContact CD1-CB 3.95Å; H1542-F1598 AromaticContact CD2-CD2 3.93Å; H1542-F1598 AromaticContact CD2-CE2 3.66Å; H1542-F1598 AromaticContact CD2-CZ 3.91Å; H1542-F1598 AromaticContact CE1-CE1 3.5Å; H1542-F1598 VanDerWaalsContact CE1-CE1 3.5Å; H1542-F1598 WeakPolarHBondContact CE1-CE1 3.47Å; H1542-F1598 AromaticContact CE1-CE2 3.25Å; H1542-F1598 WeakPolarHBondContact CE1-CE2 3.48Å; H1542-F1598 AromaticContact CE1-CZ 2.85Å; H1542-F1598 WeakPolarHBondContact CE1-CZ 3.36Å; H1542-F1598 AromaticContact ND1-CE1 3.63Å; H1542-F1598 AromaticContact ND1-CZ 3.5Å; H1542-F1598 WeakPolarHBondContact ND1-CZ 3.46Å; H1542-F1598 AromaticContact NE2-CD2 3.64Å; H1542-F1598 AromaticContact NE2-CE1 3.93Å; H1542-F1598 AromaticContact NE2-CE2 2.91Å; H1542-F1598 WeakPolarHBondContact NE2-CE2 3.38Å; H1542-F1598 AromaticContact NE2-CZ 3.13Å; H1542-F1598 WeakPolarHBondContact NE2-CZ 3.39Å; K1594-F1598 WeakPolarHBondContact O-CD2 3.28Å; K1594-F1598 PolarHBondContact O-N 2.69Å; Q1595-F1598 PolarHBondContact O-N 2.87Å; Q1595-F1598 VanDerWaalsContact O-N 3.14Å; I1596-F1598 PolarHBondContact O-N 2.97Å; F1598-F1600 PolarHBondContact O-N 3.39Å; F1598-Q1601 PolarHBondContact O-N 2.91Å; F1598-K1602 WeakPolarHBondContact O-CB 3.39Å; F1598-K1602 PolarHBondContact O-N 3.18Å |
| 1599 | L | 70.7 | Confident | 69.1 | Low | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.9 | -37.6 | 176.7 | -102.2 | 148.5 | 0 | 0 | 0 | 110.9 | F1539 L1541 Q1595 I1596 K1602 M1603 P1610 Y1612 L1613 F1616 | F1539-L1599 HydrophobicContact CZ-CD1 4.32Å; L1541-L1599 HydrophobicContact CD1-CB 4.18Å; L1541-L1599 HydrophobicContact CD1-CD1 3.64Å; L1541-L1599 HydrophobicContact CD1-CG 3.51Å; L1541-L1599 HydrophobicContact CD2-CG 4.18Å; Q1595-L1599 WeakPolarHBondContact O-CB 3.16Å; Q1595-L1599 PolarHBondContact O-N 3.32Å; I1596-L1599 PolarHBondContact O-N 3.35Å; L1599-K1602 CarbonylContact O-C 3.58Å; L1599-K1602 PolarHBondContact O-N 3.35Å; L1599-M1603 HydrophobicContact CD2-CE 4.41Å; L1599-M1603 WeakPolarHBondContact O-CB 3.45Å; L1599-M1603 PolarHBondContact O-N 2.9Å; L1599-P1610 HydrophobicContact CD2-CG 4.41Å; L1599-Y1612 HydrophobicContact CD1-CE2 4.25Å; L1599-Y1612 HydrophobicContact CD2-CE2 4.21Å; L1599-L1613 HydrophobicContact CD2-CD1 4.15Å; L1599-F1616 HydrophobicContact CD1-CD1 3.9Å; L1599-F1616 HydrophobicContact CD1-CE1 3.66Å; L1599-F1616 HydrophobicContact CD1-CZ 4.2Å |
| 1600 | F | 63.9 | Low | 68.4 | Low | 38 Ų | 38 | 64.9 Ų | 64.9 | 17% | 0.167 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.6 | -47.6 | 178 | -176.2 | -109.6 | 0 | 0 | 0 | 113.7 | I1596 F1598 K1602 M1603 K1604 V1649 D1652 | I1596-F1600 WeakPolarHBondContact O-CB 3.28Å; I1596-F1600 PolarHBondContact O-N 3.24Å; F1598-F1600 PolarHBondContact O-N 3.39Å; F1600-K1602 PolarHBondContact O-N 2.96Å; F1600-M1603 PolarHBondContact O-N 2.68Å; F1600-M1603 VanDerWaalsContact O-N 3.13Å; F1600-K1604 PolarHBondContact O-N 3.19Å; F1600-V1649 HydrophobicContact CB-CG1 4.21Å; F1600-V1649 HydrophobicContact CB-CG2 4.26Å; F1600-V1649 HydrophobicContact CD1-CG2 3.93Å; F1600-V1649 HydrophobicContact CD2-CB 4Å; F1600-V1649 HydrophobicContact CD2-CG1 3.43Å; F1600-V1649 VanDerWaalsContact CD2-CG1 3.43Å; F1600-V1649 HydrophobicContact CD2-CG2 3.76Å; F1600-V1649 HydrophobicContact CE1-CG2 4.1Å; F1600-V1649 HydrophobicContact CE2-CB 4.1Å; F1600-V1649 HydrophobicContact CE2-CG1 3.91Å; F1600-V1649 HydrophobicContact CE2-CG2 3.93Å; F1600-V1649 HydrophobicContact CG-CB 4.41Å; F1600-V1649 HydrophobicContact CG-CG1 3.98Å; F1600-V1649 HydrophobicContact CG-CG2 3.71Å; F1600-V1649 HydrophobicContact CZ-CG2 4.06Å; F1600-D1652 HydrophobicContact CE2-CB 3.72Å; F1600-D1652 HydrophobicContact CZ-CB 4.06Å; F1600-D1652 WeakPolarHBondContact CZ-OD2 3.39Å |
| 1601 | Q | 66.7 | Low | 68 | Low | 129 Ų | 129 | 62.5 Ų | 62.5 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -54.8 | -35 | 172.4 | -77.4 | -178.8 | -11.3 | 0 | 0 | 111.2 | K1597 F1598 | K1597-Q1601 WeakPolarHBondContact O-CG 3.45Å; K1597-Q1601 PolarHBondContact O-N 3.16Å; F1598-Q1601 PolarHBondContact O-N 2.91Å |
| 1602 | K | 64.7 | Low | 67.7 | Low | 67 Ų | 67 | 62.2 Ų | 62.2 | 29% | 0.291 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -79.2 | -34.2 | 175.5 | -84 | -176.8 | 167.5 | 177.5 | 0 | 114.6 | L1541 F1598 L1599 F1600 K1604 C1605 L1606 | L1541-K1602 HydrophobicContact CD2-CD 4.32Å; L1541-K1602 PolarHBondContact O-NZ 3.22Å; F1598-K1602 WeakPolarHBondContact O-CB 3.39Å; F1598-K1602 PolarHBondContact O-N 3.18Å; L1599-K1602 CarbonylContact O-C 3.58Å; L1599-K1602 PolarHBondContact O-N 3.35Å; F1600-K1602 PolarHBondContact O-N 2.96Å; K1602-K1604 PolarHBondContact O-N 2.93Å; K1602-C1605 CarbonylContact O-C 3.57Å; K1602-C1605 WeakPolarHBondContact O-CA 3.48Å; K1602-C1605 WeakPolarHBondContact O-CB 3.4Å; K1602-C1605 PolarHBondContact O-N 2.97Å; K1602-L1606 HydrophobicContact CB-CD1 4.4Å; K1602-L1606 PolarHBondContact O-N 3.44Å |
| 1603 | M | 62.4 | Low | 67.6 | Low | 27 Ų | 27 | 62.4 Ų | 62.4 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.5 | -32.8 | 179.7 | -103.6 | -169.4 | -100.9 | 0 | 0 | 111.9 | L1599 F1600 C1605 L1606 P1609 L1613 V1653 | L1599-M1603 HydrophobicContact CD2-CE 4.41Å; L1599-M1603 WeakPolarHBondContact O-CB 3.45Å; L1599-M1603 PolarHBondContact O-N 2.9Å; F1600-M1603 PolarHBondContact O-N 2.68Å; F1600-M1603 VanDerWaalsContact O-N 3.13Å; M1603-C1605 PolarHBondContact O-N 3.3Å; M1603-C1605 VanDerWaalsContact O-N 3.1Å; M1603-L1606 PolarHBondContact O-N 3.34Å; M1603-P1609 HydrophobicContact SD-CB 4.21Å; M1603-L1613 HydrophobicContact CE-CD1 3.49Å; M1603-L1613 VanDerWaalsContact CE-CD1 3.49Å; M1603-L1613 HydrophobicContact CE-CD2 3.22Å; M1603-L1613 HydrophobicContact CE-CG 3.98Å; M1603-L1613 HydrophobicContact SD-CD2 3.56Å; M1603-L1613 VanDerWaalsContact SD-CD2 3.56Å; M1603-V1653 HydrophobicContact CE-CG2 4.47Å; M1603-V1653 HydrophobicContact SD-CG2 3.96Å |
| 1604 | K | 58.9 | Low | 67.8 | Low | 134 Ų | 134 | 61.8 Ų | 61.8 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -17 | 170.7 | -68.7 | -168.4 | 176.2 | -168.8 | 0 | 113.8 | F1600 K1602 D1652 | F1600-K1604 PolarHBondContact O-N 3.19Å; K1602-K1604 PolarHBondContact O-N 2.93Å; K1604-D1652 WeakPolarHBondContact CE-OD2 3.41Å; K1604-D1652 IonicContact NZ-OD2 2.74Å |
| 1605 | C | 59.6 | Low | 68.2 | Low | 108 Ų | 108 | 55.1 Ų | 55.1 | 73% | 0.73 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -8.2 | 179.8 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | K1602 M1603 | K1602-C1605 CarbonylContact O-C 3.57Å; K1602-C1605 WeakPolarHBondContact O-CA 3.48Å; K1602-C1605 WeakPolarHBondContact O-CB 3.4Å; K1602-C1605 PolarHBondContact O-N 2.97Å; M1603-C1605 PolarHBondContact O-N 3.3Å; M1603-C1605 VanDerWaalsContact O-N 3.1Å |
| 1606 | L | 53.8 | Low | 68.6 | Low | 76 Ų | 76 | 54.6 Ų | 54.6 | 40% | 0.398 | 28% | 0.279 | S | S | . | . | trans | -100.9 | 126.8 | -175.8 | -74.4 | 164.9 | 0 | 0 | 0 | 110.5 | K1602 M1603 S1608 | K1602-L1606 HydrophobicContact CB-CD1 4.4Å; K1602-L1606 PolarHBondContact O-N 3.44Å; M1603-L1606 PolarHBondContact O-N 3.34Å; L1606-S1608 PolarHBondContact O-N 2.96Å | ||
| 1607 | N | 55.1 | Low | 68.9 | Low | 156 Ų | 156 | 54.2 Ų | 54.2 | 83% | 0.834 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -67.1 | -22.4 | 174.8 | -75.9 | -8.4 | 0 | 0 | 0 | 113.1 | ||
| 1608 | S | 55 | Low | 69.7 | Low | 73 Ų | 73 | 47.9 Ų | 47.9 | 51% | 0.51 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -140.9 | 127.4 | 175.5 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | L1606 | L1606-S1608 PolarHBondContact O-N 2.96Š|
| 1609 | P | 63 | Low | 70.4 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 13% | 0.13 | 24% | 0.238 | C | C | . | . | trans | -65 | 150 | 175.1 | 23.1 | -29.6 | 0 | 0 | 0 | 111.6 | M1603 L1613 V1659 | M1603-P1609 HydrophobicContact SD-CB 4.21Å; P1609-L1613 HydrophobicContact CB-CD2 3.67Å; P1609-V1659 HydrophobicContact CG-CB 4.24Å; P1609-V1659 HydrophobicContact CG-CG1 4.06Å; P1609-V1659 HydrophobicContact CG-CG2 4.15Å | ||
| 1610 | P | 68.3 | Low | 71.1 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 10% | 0.104 | 24% | 0.238 | C | C | . | . | trans | -64.2 | 145 | 178.6 | -17.4 | 29.5 | 0 | 0 | 0 | 112.3 | L1599 Y1612 L1613 | L1599-P1610 HydrophobicContact CD2-CG 4.41Å; P1610-Y1612 HydrophobicContact CB-CD1 3.53Å; P1610-Y1612 HydrophobicContact CB-CE1 3.16Å; P1610-Y1612 HydrophobicContact CB-CE2 4.35Å; P1610-Y1612 HydrophobicContact CB-CG 4.28Å; P1610-Y1612 HydrophobicContact CG-CE1 3.81Å; P1610-Y1612 PolarHBondContact O-N 3Å; P1610-L1613 WeakPolarHBondContact O-CB 3.24Å; P1610-L1613 PolarHBondContact O-N 3.08Å | ||
| 1611 | I | 71.2 | Confident | 71.8 | Confident | 63 Ų | 63 | 43.5 Ų | 43.5 | 32% | 0.323 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33 | -178.6 | -78.7 | 170.1 | 0 | 0 | 0 | 112.5 | D1554 R1558 L1613 | D1554-I1611 HydrophobicContact CB-CB 4.46Å; R1558-I1611 HydrophobicContact CB-CG2 4.23Å; R1558-I1611 VanDerWaalsContact CD-CG2 3.46Å; R1558-I1611 HydrophobicContact CG-CG2 3.98Å; I1611-L1613 PolarHBondContact O-N 3.32Å |
| 1612 | Y | 79.1 | Confident | 72.5 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -13.2 | 179.6 | 66.6 | -98.9 | 0 | 0 | 0 | 114.4 | F1539 D1554 Y1557 F1561 L1599 P1610 A1614 A1615 F1616 | F1539-Y1612 HydrophobicContact CE2-CD2 4.28Å; F1539-Y1612 HydrophobicContact CE2-CE1 4.05Å; F1539-Y1612 AromaticContact CE2-CE2 3.62Å; F1539-Y1612 HydrophobicContact CE2-CE2 3.62Å; F1539-Y1612 AromaticContact CE2-CZ 3.48Å; F1539-Y1612 VanDerWaalsContact CE2-CZ 3.48Å; F1539-Y1612 HydrophobicContact CZ-CD2 4.44Å; F1539-Y1612 AromaticContact CZ-CE2 3.51Å; F1539-Y1612 HydrophobicContact CZ-CE2 3.51Å; F1539-Y1612 AromaticContact CZ-CZ 3.6Å; F1539-Y1612 WeakPolarHBondContact CZ-OH 3.23Å; D1554-Y1612 HydrophobicContact CB-CD1 4.06Å; D1554-Y1612 WeakPolarHBondContact OD1-CD1 3.13Å; D1554-Y1612 VanDerWaalsContact OD1-CE1 3.29Å; D1554-Y1612 WeakPolarHBondContact OD1-CE1 3.39Å; Y1557-Y1612 HydrophobicContact CD2-CD1 4.31Å; F1561-Y1612 HydrophobicContact CD2-CD2 4.31Å; F1561-Y1612 AromaticContact CE2-CD2 3.96Å; F1561-Y1612 HydrophobicContact CE2-CD2 3.96Å; L1599-Y1612 HydrophobicContact CD1-CE2 4.25Å; L1599-Y1612 HydrophobicContact CD2-CE2 4.21Å; P1610-Y1612 HydrophobicContact CB-CD1 3.53Å; P1610-Y1612 HydrophobicContact CB-CE1 3.16Å; P1610-Y1612 HydrophobicContact CB-CE2 4.35Å; P1610-Y1612 HydrophobicContact CB-CG 4.28Å; P1610-Y1612 HydrophobicContact CG-CE1 3.81Å; P1610-Y1612 PolarHBondContact O-N 3Å; Y1612-A1614 VanDerWaalsContact C-N 3.28Å; Y1612-A1614 PolarHBondContact O-N 2.9Å; Y1612-A1615 PolarHBondContact O-N 3.47Å; Y1612-A1615 VanDerWaalsContact O-N 3.17Å; Y1612-F1616 HydrophobicContact CD2-CB 4.23Å; Y1612-F1616 PolarHBondContact O-N 3.37Å |
| 1613 | L | 80.3 | Confident | 73.4 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -38.8 | -170.7 | 177.2 | 63.3 | 0 | 0 | 0 | 112.4 | L1599 M1603 P1609 P1610 I1611 F1616 I1617 V1663 | L1599-L1613 HydrophobicContact CD2-CD1 4.15Å; M1603-L1613 HydrophobicContact CE-CD1 3.49Å; M1603-L1613 VanDerWaalsContact CE-CD1 3.49Å; M1603-L1613 HydrophobicContact CE-CD2 3.22Å; M1603-L1613 HydrophobicContact CE-CG 3.98Å; M1603-L1613 HydrophobicContact SD-CD2 3.56Å; M1603-L1613 VanDerWaalsContact SD-CD2 3.56Å; P1609-L1613 HydrophobicContact CB-CD2 3.67Å; P1610-L1613 WeakPolarHBondContact O-CB 3.24Å; P1610-L1613 PolarHBondContact O-N 3.08Å; I1611-L1613 PolarHBondContact O-N 3.32Å; L1613-F1616 HydrophobicContact CD1-CD1 4.46Å; L1613-F1616 PolarHBondContact O-N 3.22Å; L1613-I1617 HydrophobicContact CD1-CD1 4Å; L1613-I1617 HydrophobicContact CD1-CG1 4.16Å; L1613-I1617 HydrophobicContact CG-CD1 3.92Å; L1613-I1617 HydrophobicContact CG-CG1 4.49Å; L1613-I1617 VanDerWaalsContact O-CG1 3.28Å; L1613-I1617 WeakPolarHBondContact O-CG1 3.43Å; L1613-I1617 PolarHBondContact O-N 3.44Å; L1613-V1663 HydrophobicContact CB-CG2 3.96Å; L1613-V1663 HydrophobicContact CD2-CB 4.46Å; L1613-V1663 HydrophobicContact CD2-CG1 3.56Å; L1613-V1663 HydrophobicContact CD2-CG2 4Å; L1613-V1663 HydrophobicContact CG-CG1 3.99Å; L1613-V1663 HydrophobicContact CG-CG2 4.12Å |
| 1614 | A | 80.6 | Confident | 74 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1503 Y1612 F1616 I1617 R1618 E1662 V1663 A1666 | I1503-A1614 HydrophobicContact CG2-CB 4.31Å; Y1612-A1614 VanDerWaalsContact C-N 3.28Å; Y1612-A1614 PolarHBondContact O-N 2.9Å; A1614-F1616 VanDerWaalsContact C-N 3.34Å; A1614-F1616 PolarHBondContact O-N 2.96Å; A1614-I1617 PolarHBondContact O-N 3.29Å; A1614-R1618 VanDerWaalsContact O-CG 3.32Å; A1614-R1618 WeakPolarHBondContact O-CG 3.34Å; A1614-R1618 PolarHBondContact O-N 3.17Å; A1614-R1618 VanDerWaalsContact O-N 3.13Å; A1614-E1662 HydrophobicContact CB-CB 4.41Å; A1614-E1662 HydrophobicContact CB-CG 3.8Å; A1614-V1663 HydrophobicContact CB-CG2 4Å; A1614-A1666 HydrophobicContact CB-CB 3.91Å; A1614-A1666 WeakPolarHBondContact O-CB 3.45Å |
| 1615 | A | 84.6 | Confident | 74.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.5 | -37.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1503 R1558 F1561 A1562 Y1612 R1618 F1619 | I1503-A1615 HydrophobicContact CD1-CB 4.14Å; R1558-A1615 WeakPolarHBondContact O-CB 3.38Å; F1561-A1615 HydrophobicContact CB-CB 3.74Å; A1562-A1615 HydrophobicContact CB-CB 4.38Å; Y1612-A1615 PolarHBondContact O-N 3.47Å; Y1612-A1615 VanDerWaalsContact O-N 3.17Å; A1615-R1618 PolarHBondContact O-N 3.24Å; A1615-F1619 WeakPolarHBondContact O-CB 3.49Å; A1615-F1619 PolarHBondContact O-N 3.31Å |
| 1616 | F | 86.6 | Confident | 75.4 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 176.2 | 174 | -104 | 0 | 0 | 0 | 112.8 | F1561 W1591 Q1595 I1596 L1599 Y1612 L1613 A1614 R1618 F1619 H1620 | F1561-F1616 HydrophobicContact CD1-CD2 4.15Å; F1561-F1616 HydrophobicContact CD2-CB 3.8Å; F1561-F1616 HydrophobicContact CD2-CD2 4.31Å; F1561-F1616 AromaticContact CE1-CD2 3.69Å; F1561-F1616 HydrophobicContact CE1-CD2 3.69Å; F1561-F1616 HydrophobicContact CE1-CE2 4.36Å; F1561-F1616 HydrophobicContact CE2-CB 3.97Å; F1561-F1616 AromaticContact CE2-CD2 3.87Å; F1561-F1616 HydrophobicContact CE2-CD2 3.87Å; F1561-F1616 HydrophobicContact CE2-CG 4.32Å; F1561-F1616 HydrophobicContact CG-CB 4.2Å; F1561-F1616 HydrophobicContact CG-CD2 4.47Å; F1561-F1616 HydrophobicContact CZ-CB 4.5Å; F1561-F1616 AromaticContact CZ-CD2 3.55Å; F1561-F1616 HydrophobicContact CZ-CD2 3.55Å; F1561-F1616 HydrophobicContact CZ-CE2 4.27Å; F1561-F1616 HydrophobicContact CZ-CG 4.43Å; W1591-F1616 AromaticContact CZ3-CE2 3.99Å; W1591-F1616 HydrophobicContact CZ3-CE2 3.99Å; Q1595-F1616 HydrophobicContact CB-CE2 4.31Å; Q1595-F1616 HydrophobicContact CB-CZ 3.85Å; I1596-F1616 HydrophobicContact CD1-CE1 4.18Å; I1596-F1616 HydrophobicContact CD1-CZ 4.36Å; I1596-F1616 HydrophobicContact CG1-CE1 3.41Å; I1596-F1616 VanDerWaalsContact CG1-CE1 3.41Å; I1596-F1616 HydrophobicContact CG1-CZ 3.74Å; L1599-F1616 HydrophobicContact CD1-CD1 3.9Å; L1599-F1616 HydrophobicContact CD1-CE1 3.66Å; L1599-F1616 HydrophobicContact CD1-CZ 4.2Å; Y1612-F1616 HydrophobicContact CD2-CB 4.23Å; Y1612-F1616 PolarHBondContact O-N 3.37Å; L1613-F1616 HydrophobicContact CD1-CD1 4.46Å; L1613-F1616 PolarHBondContact O-N 3.22Å; A1614-F1616 VanDerWaalsContact C-N 3.34Å; A1614-F1616 PolarHBondContact O-N 2.96Å; F1616-R1618 VanDerWaalsContact C-N 3.31Å; F1616-R1618 PolarHBondContact O-N 3.06Å; F1616-F1619 WeakPolarHBondContact O-CB 3.38Å; F1616-F1619 PolarHBondContact O-N 3.16Å; F1616-H1620 PolarHBondContact O-N 2.89Å |
| 1617 | I | 80.9 | Confident | 76.3 | Confident | 15 Ų | 15 | 21.1 Ų | 21.1 | 8% | 0.077 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.7 | -69.6 | 166.9 | 0 | 0 | 0 | 110.1 | L1613 A1614 H1620 T1621 V1663 A1666 V1667 | L1613-I1617 HydrophobicContact CD1-CD1 4Å; L1613-I1617 HydrophobicContact CD1-CG1 4.16Å; L1613-I1617 HydrophobicContact CG-CD1 3.92Å; L1613-I1617 HydrophobicContact CG-CG1 4.49Å; L1613-I1617 VanDerWaalsContact O-CG1 3.28Å; L1613-I1617 WeakPolarHBondContact O-CG1 3.43Å; L1613-I1617 PolarHBondContact O-N 3.44Å; A1614-I1617 PolarHBondContact O-N 3.29Å; I1617-H1620 PolarHBondContact O-N 3.49Å; I1617-T1621 WeakPolarHBondContact O-CB 3.37Å; I1617-T1621 PolarHBondContact O-N 3.1Å; I1617-T1621 PolarHBondContact O-OG1 3.37Å; I1617-V1663 HydrophobicContact CD1-CG1 4.22Å; I1617-A1666 HydrophobicContact CB-CB 4.29Å; I1617-A1666 HydrophobicContact CG2-CB 4.3Å; I1617-V1667 HydrophobicContact CD1-CG2 3.75Å |
| 1618 | R | 85.9 | Confident | 76.6 | Confident | 3 Ų | 3 | 15.4 Ų | 15.4 | 1% | 0.011 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 175.7 | -67.6 | -74.5 | -69.4 | 156.6 | -11.7 | 111.6 | I1507 N1508 T1565 A1614 A1615 F1616 T1621 E1622 A1666 | I1507-R1618 HydrophobicContact CD1-CB 4.15Å; I1507-R1618 HydrophobicContact CD1-CG 4.31Å; I1507-R1618 VanDerWaalsContact CG2-NH2 3.25Å; N1508-R1618 PolarHBondContact OD1-NH2 3.39Å; T1565-R1618 HydrophobicContact CG2-CB 4.2Å; A1614-R1618 VanDerWaalsContact O-CG 3.32Å; A1614-R1618 WeakPolarHBondContact O-CG 3.34Å; A1614-R1618 PolarHBondContact O-N 3.17Å; A1614-R1618 VanDerWaalsContact O-N 3.13Å; A1615-R1618 PolarHBondContact O-N 3.24Å; F1616-R1618 VanDerWaalsContact C-N 3.31Å; F1616-R1618 PolarHBondContact O-N 3.06Å; R1618-T1621 PolarHBondContact O-N 3.13Å; R1618-E1622 PolarHBondContact O-N 3.19Å; R1618-A1666 HydrophobicContact CG-CB 4.01Å |
| 1619 | F | 88.2 | Confident | 77 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.5 | -48.8 | 175.8 | 171.4 | -113.2 | 0 | 0 | 0 | 112.4 | F1527 F1531 F1561 L1564 T1565 L1568 A1588 A1615 F1616 T1621 E1622 L1623 | F1527-F1619 HydrophobicContact CE2-CE2 4.06Å; F1527-F1619 HydrophobicContact CZ-CE2 4.19Å; F1527-F1619 HydrophobicContact CZ-CZ 4.48Å; F1531-F1619 HydrophobicContact CD2-CZ 4.07Å; F1531-F1619 HydrophobicContact CE2-CZ 4.42Å; F1561-F1619 HydrophobicContact CB-CB 4.3Å; F1561-F1619 HydrophobicContact CD1-CB 4.21Å; F1561-F1619 AromaticContact CD1-CD1 3.74Å; F1561-F1619 HydrophobicContact CD1-CD1 3.74Å; F1561-F1619 HydrophobicContact CD1-CE1 4.31Å; F1561-F1619 HydrophobicContact CD1-CG 4.01Å; F1561-F1619 HydrophobicContact CE1-CD1 4.03Å; F1561-F1619 HydrophobicContact CE1-CE1 4.3Å; L1564-F1619 HydrophobicContact CB-CD2 3.62Å; L1564-F1619 HydrophobicContact CB-CE2 3.62Å; L1564-F1619 HydrophobicContact CD1-CE2 4.1Å; L1564-F1619 HydrophobicContact CD1-CZ 4.24Å; L1564-F1619 HydrophobicContact CG-CE2 4.33Å; T1565-F1619 WeakPolarHBondContact OG1-CA 3.37Å; T1565-F1619 WeakPolarHBondContact OG1-CB 3.23Å; T1565-F1619 PolarHBondContact OG1-N 3.42Å; L1568-F1619 HydrophobicContact CD1-CD2 3.7Å; L1568-F1619 HydrophobicContact CD1-CE2 3.54Å; A1588-F1619 HydrophobicContact CB-CZ 4.33Å; A1615-F1619 WeakPolarHBondContact O-CB 3.49Å; A1615-F1619 PolarHBondContact O-N 3.31Å; F1616-F1619 WeakPolarHBondContact O-CB 3.38Å; F1616-F1619 PolarHBondContact O-N 3.16Å; F1619-T1621 VanDerWaalsContact C-N 3.32Å; F1619-T1621 PolarHBondContact O-N 2.79Å; F1619-E1622 PolarHBondContact O-N 2.87Å; F1619-L1623 HydrophobicContact CD1-CD1 4.12Å; F1619-L1623 HydrophobicContact CE1-CD1 3.55Å; F1619-L1623 HydrophobicContact CE1-CG 4.42Å; F1619-L1623 HydrophobicContact CE2-CD1 4.06Å; F1619-L1623 HydrophobicContact CE2-CD2 4.43Å; F1619-L1623 HydrophobicContact CE2-CG 4.09Å; F1619-L1623 HydrophobicContact CZ-CD1 3.52Å; F1619-L1623 HydrophobicContact CZ-CD2 4.38Å; F1619-L1623 HydrophobicContact CZ-CG 4.04Å; F1619-L1623 PolarHBondContact O-N 2.9Å |
| 1620 | H | 84.5 | Confident | 76.8 | Confident | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.019 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 178.3 | -177.5 | 71.8 | 0 | 0 | 0 | 112.2 | F1589 S1592 I1596 F1616 I1617 E1622 L1623 I1624 | F1589-H1620 AromaticContact CE2-CE1 3.69Å; S1592-H1620 WeakPolarHBondContact CB-ND1 3.45Å; S1592-H1620 PolarHBondContact OG-ND1 3.04Å; I1596-H1620 HydrophobicContact CD1-CB 3.93Å; I1596-H1620 WeakPolarHBondContact CD1-CD2 3.36Å; I1596-H1620 VanDerWaalsContact CD1-CE1 3.48Å; I1596-H1620 WeakPolarHBondContact CD1-CE1 3.5Å; I1596-H1620 WeakPolarHBondContact CD1-ND1 3.43Å; I1596-H1620 VanDerWaalsContact CD1-NE2 3.28Å; I1596-H1620 WeakPolarHBondContact CD1-NE2 3.42Å; F1616-H1620 PolarHBondContact O-N 2.89Å; I1617-H1620 PolarHBondContact O-N 3.49Å; H1620-E1622 VanDerWaalsContact C-N 3.34Å; H1620-L1623 PolarHBondContact O-N 3.45Å; H1620-I1624 WeakPolarHBondContact O-CG1 3.22Å; H1620-I1624 PolarHBondContact O-N 3.26Å |
| 1621 | T | 78.1 | Confident | 76 | Confident | 4 Ų | 4 | 24.7 Ų | 24.7 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 177 | -51.5 | 0 | 0 | 0 | 0 | 111 | I1617 R1618 F1619 I1624 T1625 S1670 L1673 | I1617-T1621 WeakPolarHBondContact O-CB 3.37Å; I1617-T1621 PolarHBondContact O-N 3.1Å; I1617-T1621 PolarHBondContact O-OG1 3.37Å; R1618-T1621 PolarHBondContact O-N 3.13Å; F1619-T1621 VanDerWaalsContact C-N 3.32Å; F1619-T1621 PolarHBondContact O-N 2.79Å; T1621-I1624 WeakPolarHBondContact O-CB 3.28Å; T1621-I1624 PolarHBondContact O-N 3.41Å; T1621-T1625 PolarHBondContact O-N 3.21Å; T1621-T1625 VanDerWaalsContact O-N 3.13Å; T1621-T1625 PolarHBondContact O-OG1 3.22Å; T1621-T1625 VanDerWaalsContact O-OG1 3.13Å; T1621-S1670 WeakPolarHBondContact OG1-CB 3.21Å; T1621-L1673 HydrophobicContact CG2-CB 3.77Å; T1621-L1673 HydrophobicContact CG2-CD1 3.53Å; T1621-L1673 HydrophobicContact CG2-CG 4.29Å |
| 1622 | E | 82.6 | Confident | 74.9 | Confident | 11 Ų | 11 | 23.9 Ų | 23.9 | 5% | 0.051 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.8 | -35 | -179.9 | -155.9 | 68 | -125.5 | 0 | 0 | 112.5 | T1565 L1568 Q1569 R1618 F1619 H1620 I1624 T1625 V1626 | T1565-E1622 HydrophobicContact CG2-CB 3.93Å; T1565-E1622 HydrophobicContact CG2-CG 4.24Å; L1568-E1622 HydrophobicContact CB-CB 4.29Å; L1568-E1622 HydrophobicContact CB-CG 3.68Å; L1568-E1622 HydrophobicContact CD1-CB 4.33Å; Q1569-E1622 HydrophobicContact CG-CG 3.8Å; Q1569-E1622 WeakPolarHBondContact CG-OE2 3.39Å; Q1569-E1622 PolarHBondContact NE2-OE2 3.48Å; R1618-E1622 PolarHBondContact O-N 3.19Å; F1619-E1622 PolarHBondContact O-N 2.87Å; H1620-E1622 VanDerWaalsContact C-N 3.34Å; E1622-I1624 VanDerWaalsContact C-N 3.25Å; E1622-I1624 PolarHBondContact O-N 2.95Å; E1622-T1625 WeakPolarHBondContact O-CA 3.13Å; E1622-T1625 WeakPolarHBondContact O-CB 3.38Å; E1622-T1625 PolarHBondContact O-N 3.21Å; E1622-V1626 WeakPolarHBondContact O-CG2 3.16Å; E1622-V1626 PolarHBondContact O-N 3.1Å |
| 1623 | L | 83 | Confident | 73.4 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57 | -40.8 | 170.7 | -80.7 | 171.1 | 0 | 0 | 0 | 111.9 | L1568 I1585 A1588 F1589 F1619 H1620 T1625 L1627 | L1568-L1623 HydrophobicContact CD1-CD2 3.75Å; L1568-L1623 HydrophobicContact CD1-CG 3.75Å; L1568-L1623 HydrophobicContact CD2-CD2 4.13Å; I1585-L1623 HydrophobicContact CG2-CD2 3.9Å; A1588-L1623 HydrophobicContact CB-CD1 4.05Å; A1588-L1623 HydrophobicContact CB-CD2 3.96Å; F1589-L1623 HydrophobicContact CD2-CB 4.35Å; F1619-L1623 HydrophobicContact CD1-CD1 4.12Å; F1619-L1623 HydrophobicContact CE1-CD1 3.55Å; F1619-L1623 HydrophobicContact CE1-CG 4.42Å; F1619-L1623 HydrophobicContact CE2-CD1 4.06Å; F1619-L1623 HydrophobicContact CE2-CD2 4.43Å; F1619-L1623 HydrophobicContact CE2-CG 4.09Å; F1619-L1623 HydrophobicContact CZ-CD1 3.52Å; F1619-L1623 HydrophobicContact CZ-CD2 4.38Å; F1619-L1623 HydrophobicContact CZ-CG 4.04Å; F1619-L1623 PolarHBondContact O-N 2.9Å; H1620-L1623 PolarHBondContact O-N 3.45Å; L1623-T1625 VanDerWaalsContact C-N 3.3Å; L1623-L1627 WeakPolarHBondContact O-CB 3.48Å; L1623-L1627 WeakPolarHBondContact O-CG 3.2Å; L1623-L1627 PolarHBondContact O-N 3.06Å; L1623-L1627 VanDerWaalsContact O-N 3.1Å |
| 1624 | I | 74.3 | Confident | 71.9 | Confident | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 175.5 | -62 | 160.9 | 0 | 0 | 0 | 109.7 | F1589 H1620 T1621 E1622 L1627 Y1628 L1643 F1677 | F1589-I1624 HydrophobicContact CD2-CG1 4.14Å; F1589-I1624 HydrophobicContact CE2-CD1 4.28Å; F1589-I1624 HydrophobicContact CE2-CG1 3.5Å; F1589-I1624 VanDerWaalsContact CE2-CG1 3.5Å; F1589-I1624 HydrophobicContact CZ-CG1 4.4Å; H1620-I1624 WeakPolarHBondContact O-CG1 3.22Å; H1620-I1624 PolarHBondContact O-N 3.26Å; T1621-I1624 WeakPolarHBondContact O-CB 3.28Å; T1621-I1624 PolarHBondContact O-N 3.41Å; E1622-I1624 VanDerWaalsContact C-N 3.25Å; E1622-I1624 PolarHBondContact O-N 2.95Å; I1624-L1627 PolarHBondContact O-N 3.1Å; I1624-Y1628 WeakPolarHBondContact O-CB 3.34Å; I1624-Y1628 PolarHBondContact O-N 3.12Å; I1624-Y1628 VanDerWaalsContact O-N 3.14Å; I1624-L1643 HydrophobicContact CD1-CD2 3.87Å; I1624-L1643 HydrophobicContact CD1-CG 4.05Å; I1624-L1643 HydrophobicContact CG2-CD1 3.8Å; I1624-L1643 HydrophobicContact CG2-CD2 4.38Å; I1624-L1643 HydrophobicContact CG2-CG 4.21Å; I1624-F1677 VanDerWaalsContact C-CZ 3.45Å; I1624-F1677 HydrophobicContact CB-CE1 4.39Å; I1624-F1677 HydrophobicContact CB-CZ 4.12Å; I1624-F1677 HydrophobicContact CG2-CD1 4.19Å; I1624-F1677 HydrophobicContact CG2-CE1 3.32Å; I1624-F1677 HydrophobicContact CG2-CE2 4.35Å; I1624-F1677 HydrophobicContact CG2-CZ 3.41Å; I1624-F1677 VanDerWaalsContact CG2-CZ 3.41Å; I1624-F1677 VanDerWaalsContact O-CE1 3.3Å; I1624-F1677 WeakPolarHBondContact O-CE1 3.3Å; I1624-F1677 WeakPolarHBondContact O-CZ 3.43Å |
| 1625 | T | 73.2 | Confident | 70.4 | Confident | 12 Ų | 12 | 38.4 Ų | 38.4 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | -179.8 | -49.5 | 0 | 0 | 0 | 0 | 111.5 | T1621 E1622 L1623 Y1628 N1629 | T1621-T1625 PolarHBondContact O-N 3.21Å; T1621-T1625 VanDerWaalsContact O-N 3.13Å; T1621-T1625 PolarHBondContact O-OG1 3.22Å; T1621-T1625 VanDerWaalsContact O-OG1 3.13Å; E1622-T1625 WeakPolarHBondContact O-CA 3.13Å; E1622-T1625 WeakPolarHBondContact O-CB 3.38Å; E1622-T1625 PolarHBondContact O-N 3.21Å; L1623-T1625 VanDerWaalsContact C-N 3.3Å; T1625-Y1628 PolarHBondContact O-N 3.33Å; T1625-N1629 PolarHBondContact O-N 2.97Å; T1625-N1629 VanDerWaalsContact O-N 3.13Å |
| 1626 | V | 75.7 | Confident | 68.7 | Low | 14 Ų | 14 | 41 Ų | 41 | 9% | 0.085 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -45.7 | 179.7 | 178 | 0 | 0 | 0 | 0 | 111.3 | L1568 I1585 E1622 Y1628 N1629 D1630 | L1568-V1626 HydrophobicContact CB-CG2 4.15Å; L1568-V1626 HydrophobicContact CD2-CG2 4.15Å; I1585-V1626 HydrophobicContact CD1-CG1 3.84Å; E1622-V1626 WeakPolarHBondContact O-CG2 3.16Å; E1622-V1626 PolarHBondContact O-N 3.1Å; V1626-Y1628 PolarHBondContact O-N 2.63Å; V1626-N1629 PolarHBondContact O-N 3.38Å; V1626-D1630 PolarHBondContact O-N 2.65Å |
| 1627 | L | 71.8 | Confident | 67 | Low | 20 Ų | 20 | 42.4 Ų | 42.4 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -23.6 | 178.4 | -75.5 | 173.2 | 0 | 0 | 0 | 114 | I1585 L1586 F1589 L1623 I1624 | I1585-L1627 HydrophobicContact CG2-CD2 3.78Å; I1585-L1627 HydrophobicContact CG2-CG 3.86Å; L1586-L1627 HydrophobicContact CD1-CD2 3.85Å; F1589-L1627 HydrophobicContact CB-CD1 3.55Å; F1589-L1627 HydrophobicContact CD1-CD1 3.7Å; F1589-L1627 HydrophobicContact CD2-CD1 3.89Å; F1589-L1627 HydrophobicContact CE1-CD1 4.39Å; F1589-L1627 HydrophobicContact CG-CD1 3.4Å; L1623-L1627 WeakPolarHBondContact O-CB 3.48Å; L1623-L1627 WeakPolarHBondContact O-CG 3.2Å; L1623-L1627 PolarHBondContact O-N 3.06Å; L1623-L1627 VanDerWaalsContact O-N 3.1Å; I1624-L1627 PolarHBondContact O-N 3.1Å |
| 1628 | Y | 61.4 | Low | 65.6 | Low | 36 Ų | 36 | 44.7 Ų | 44.7 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -89.9 | -36.1 | -178.6 | -172.8 | -92.9 | 0 | 0 | 0 | 114.2 | I1624 T1625 V1626 D1630 L1636 F1677 R1680 G1681 | I1624-Y1628 WeakPolarHBondContact O-CB 3.34Å; I1624-Y1628 PolarHBondContact O-N 3.12Å; I1624-Y1628 VanDerWaalsContact O-N 3.14Å; T1625-Y1628 PolarHBondContact O-N 3.33Å; V1626-Y1628 PolarHBondContact O-N 2.63Å; Y1628-D1630 PolarHBondContact O-N 2.93Å; Y1628-L1636 HydrophobicContact CD2-CD1 4.27Å; Y1628-L1636 HydrophobicContact CE2-CD1 4.08Å; Y1628-L1636 HydrophobicContact CE2-CD2 3.84Å; Y1628-L1636 HydrophobicContact CE2-CG 4.11Å; Y1628-F1677 AromaticContact CD1-CD1 3.8Å; Y1628-F1677 HydrophobicContact CD1-CD1 3.8Å; Y1628-F1677 HydrophobicContact CD1-CE1 4.06Å; Y1628-F1677 AromaticContact CD2-CD1 3.36Å; Y1628-F1677 HydrophobicContact CD2-CD1 3.36Å; Y1628-F1677 AromaticContact CD2-CE1 3.78Å; Y1628-F1677 HydrophobicContact CD2-CE1 3.78Å; Y1628-F1677 HydrophobicContact CD2-CG 4.5Å; Y1628-F1677 HydrophobicContact CE1-CD1 4.32Å; Y1628-F1677 AromaticContact CE2-CD1 3.9Å; Y1628-F1677 HydrophobicContact CE2-CD1 3.9Å; Y1628-F1677 AromaticContact CG-CD1 3.31Å; Y1628-F1677 HydrophobicContact CG-CD1 3.31Å; Y1628-F1677 AromaticContact CG-CE1 3.4Å; Y1628-F1677 HydrophobicContact CG-CE1 3.4Å; Y1628-F1677 VanDerWaalsContact CG-CE1 3.4Å; Y1628-F1677 HydrophobicContact CG-CG 4.39Å; Y1628-F1677 HydrophobicContact CG-CZ 4.48Å; Y1628-R1680 HydrophobicContact CE1-CB 4.16Å; Y1628-R1680 WeakPolarHBondContact OH-CB 3.4Å; Y1628-G1681 PolarHBondContact OH-N 3.07Å |
| 1629 | N | 64.8 | Low | 64 | Low | 91 Ų | 91 | 46.5 Ų | 46.5 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.7 | -26.9 | 173.3 | -73.2 | -17.9 | 0 | 0 | 0 | 111.3 | T1625 V1626 N1631 | T1625-N1629 PolarHBondContact O-N 2.97Å; T1625-N1629 VanDerWaalsContact O-N 3.13Å; V1626-N1629 PolarHBondContact O-N 3.38Å; N1629-N1631 PolarHBondContact O-N 3.4Å |
| 1630 | D | 57.6 | Low | 62.3 | Low | 52 Ų | 52 | 47.3 Ų | 47.3 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -71.8 | 103.9 | 167.7 | -115 | -20.4 | 0 | 0 | 0 | 110.1 | K1582 V1626 Y1628 S1632 | K1582-D1630 WeakPolarHBondContact CD-OD2 3.08Å; K1582-D1630 WeakPolarHBondContact CE-OD2 3.37Å; K1582-D1630 IonicContact NZ-OD1 3.94Å; K1582-D1630 PolarHBondContact NZ-OD1 3.47Å; K1582-D1630 IonicContact NZ-OD2 3.69Å; K1582-D1630 PolarHBondContact NZ-OD2 3.07Å; V1626-D1630 PolarHBondContact O-N 2.65Å; Y1628-D1630 PolarHBondContact O-N 2.93Å; D1630-S1632 PolarHBondContact O-N 3.41Å |
| 1631 | N | 50.8 | Low | 60.9 | Low | 162 Ų | 162 | 50.1 Ų | 50.1 | 87% | 0.866 | 30% | 0.297 | S | S | * | . | trans | -60.5 | 23.2 | 176.3 | -81.7 | -31.1 | 0 | 0 | 0 | 114.9 | N1629 G1633 | N1629-N1631 PolarHBondContact O-N 3.4Å; N1631-G1633 PolarHBondContact O-N 3.22Å | ||
| 1632 | S | 48 | Very low | 59.8 | Low | 45 Ų | 45 | 52.8 Ų | 52.8 | 32% | 0.315 | 31% | 0.31 | S | S | . | . | trans | -69.5 | 128.8 | 176.5 | 65.7 | 0 | 0 | 0 | 0 | 109.7 | D1630 I1634 | D1630-S1632 PolarHBondContact O-N 3.41Å; S1632-I1634 PolarHBondContact O-N 3.22Å; S1632-I1634 WeakPolarHBondContact OG-CD1 3.13Å; S1632-I1634 WeakPolarHBondContact OG-CG1 3.38Å | ||
| 1633 | G | 48.4 | Very low | 58.4 | Low | 87 Ų | 87 | 53.5 Ų | 53.5 | 90% | 0.897 | 31% | 0.314 | S | S | * | . | trans | -64.4 | 30.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1631 K1635 | N1631-G1633 PolarHBondContact O-N 3.22Å; G1633-K1635 PolarHBondContact O-N 3.06Å | ||
| 1634 | I | 48.9 | Very low | 57 | Low | 59 Ų | 59 | 53.8 Ų | 53.8 | 30% | 0.303 | 32% | 0.315 | S | S | . | . | trans | -60.5 | 127.1 | 168.6 | -57.6 | 175.1 | 0 | 0 | 0 | 106.9 | L1586 S1632 L1636 H1639 | L1586-I1634 HydrophobicContact CD1-CD1 3.87Å; S1632-I1634 PolarHBondContact O-N 3.22Å; S1632-I1634 WeakPolarHBondContact OG-CD1 3.13Å; S1632-I1634 WeakPolarHBondContact OG-CG1 3.38Å; I1634-L1636 PolarHBondContact O-N 2.88Å; I1634-H1639 WeakPolarHBondContact CG2-CE1 3.32Å | ||
| 1635 | K | 49.5 | Very low | 56.2 | Low | 177 Ų | 177 | 55.3 Ų | 55.3 | 77% | 0.77 | 33% | 0.33 | S | S | * | . | trans | -50.2 | 96.3 | -178.1 | -73.1 | -178.1 | 176.9 | -180 | 0 | 110.6 | G1633 G1637 S1638 H1639 | G1633-K1635 PolarHBondContact O-N 3.06Å; K1635-G1637 PolarHBondContact O-N 2.97Å; K1635-G1637 VanDerWaalsContact O-N 3.1Å; K1635-S1638 PolarHBondContact O-N 3.01Å; K1635-S1638 PolarHBondContact O-OG 3.13Å; K1635-S1638 VanDerWaalsContact O-OG 3.07Å; K1635-H1639 PolarHBondContact O-ND1 3.38Å | ||
| 1636 | L | 47.8 | Very low | 55.4 | Low | 53 Ų | 53 | 55.3 Ų | 55.3 | 28% | 0.277 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -51.5 | -36.1 | -179.1 | -130.1 | 79.5 | 0 | 0 | 0 | 111.2 | Y1628 I1634 S1638 H1639 V1640 Y1684 | Y1628-L1636 HydrophobicContact CD2-CD1 4.27Å; Y1628-L1636 HydrophobicContact CE2-CD1 4.08Å; Y1628-L1636 HydrophobicContact CE2-CD2 3.84Å; Y1628-L1636 HydrophobicContact CE2-CG 4.11Å; I1634-L1636 PolarHBondContact O-N 2.88Å; L1636-S1638 PolarHBondContact O-N 2.76Å; L1636-H1639 PolarHBondContact O-N 3.49Å; L1636-V1640 WeakPolarHBondContact O-CG2 3.12Å; L1636-V1640 PolarHBondContact O-N 3.44Å; L1636-Y1684 HydrophobicContact CD2-CD2 4.07Å; L1636-Y1684 HydrophobicContact CD2-CG 4.46Å |
| 1637 | G | 50.9 | Low | 54.6 | Low | 32 Ų | 32 | 54.9 Ų | 54.9 | 33% | 0.33 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.8 | -40.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K1635 H1639 C1641 | K1635-G1637 PolarHBondContact O-N 2.97Å; K1635-G1637 VanDerWaalsContact O-N 3.1Å; G1637-H1639 PolarHBondContact O-N 2.84Å; G1637-C1641 PolarHBondContact O-N 3Å |
| 1638 | S | 52.6 | Low | 54.1 | Low | 63 Ų | 63 | 57.6 Ų | 57.6 | 44% | 0.441 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -71.6 | -31.6 | 179.9 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | K1635 L1636 M1642 | K1635-S1638 PolarHBondContact O-N 3.01Å; K1635-S1638 PolarHBondContact O-OG 3.13Å; K1635-S1638 VanDerWaalsContact O-OG 3.07Å; L1636-S1638 PolarHBondContact O-N 2.76Å; S1638-M1642 PolarHBondContact O-N 3.34Å |
| 1639 | H | 53 | Low | 54 | Low | 42 Ų | 42 | 57.1 Ų | 57.1 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.2 | -41.6 | 178.1 | -66 | 69.9 | 0 | 0 | 0 | 110.7 | F1589 I1634 K1635 L1636 G1637 M1642 L1643 | F1589-H1639 AromaticContact CD1-NE2 3.98Å; F1589-H1639 AromaticContact CE1-CD2 3.23Å; F1589-H1639 WeakPolarHBondContact CE1-CD2 3Å; F1589-H1639 AromaticContact CE1-NE2 3.5Å; F1589-H1639 AromaticContact CZ-CD2 3.65Å; I1634-H1639 WeakPolarHBondContact CG2-CE1 3.32Å; K1635-H1639 PolarHBondContact O-ND1 3.38Å; L1636-H1639 PolarHBondContact O-N 3.49Å; G1637-H1639 PolarHBondContact O-N 2.84Å; H1639-M1642 PolarHBondContact O-N 2.94Å; H1639-M1642 VanDerWaalsContact O-N 3.15Å; H1639-L1643 PolarHBondContact O-N 2.93Å |
| 1640 | V | 52 | Low | 54 | Low | 16 Ų | 16 | 53 Ų | 53 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | L1636 M1642 L1643 C1644 L1685 | L1636-V1640 WeakPolarHBondContact O-CG2 3.12Å; L1636-V1640 PolarHBondContact O-N 3.44Å; V1640-M1642 PolarHBondContact O-N 3.42Å; V1640-L1643 WeakPolarHBondContact O-CB 2.79Å; V1640-L1643 PolarHBondContact O-N 3.45Å; V1640-L1643 VanDerWaalsContact O-N 3.11Å; V1640-C1644 PolarHBondContact O-N 3.38Å; V1640-C1644 PolarHBondContact O-SG 2.83Å; V1640-C1644 VanDerWaalsContact O-SG 3.34Å; V1640-L1685 HydrophobicContact CB-CD2 3.55Å; V1640-L1685 HydrophobicContact CG1-CD1 3.75Å; V1640-L1685 HydrophobicContact CG1-CD2 3.34Å; V1640-L1685 HydrophobicContact CG1-CG 4.11Å; V1640-L1685 HydrophobicContact CG2-CD2 4.05Å |
| 1641 | C | 53.8 | Low | 54.2 | Low | 64 Ų | 64 | 52 Ų | 52 | 43% | 0.432 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.2 | -38 | 170.5 | -81.8 | 0 | 0 | 0 | 0 | 112.4 | G1637 C1644 A1645 T1689 | G1637-C1641 PolarHBondContact O-N 3Å; C1641-C1644 PolarHBondContact O-N 2.98Å; C1641-A1645 PolarHBondContact O-N 3.39Å; C1641-T1689 HydrophobicContact CB-CG2 4.5Å; C1641-T1689 WeakPolarHBondContact SG-CG2 3.25Å |
| 1642 | M | 55.8 | Low | 55 | Low | 60 Ų | 60 | 46.3 Ų | 46.3 | 30% | 0.296 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -75.3 | -31.8 | 176.9 | -69.1 | -157.2 | -70.7 | 0 | 0 | 112.9 | F1589 C1593 S1638 H1639 V1640 A1645 L1646 | F1589-M1642 HydrophobicContact CE1-CE 3.63Å; F1589-M1642 HydrophobicContact CZ-CE 3.77Å; C1593-M1642 HydrophobicContact CB-CE 4.13Å; C1593-M1642 HydrophobicContact CB-SD 3.83Å; C1593-M1642 WeakPolarHBondContact SG-CE 3.28Å; C1593-M1642 VanDerWaalsContact SG-SD 3.65Å; S1638-M1642 PolarHBondContact O-N 3.34Å; H1639-M1642 PolarHBondContact O-N 2.94Å; H1639-M1642 VanDerWaalsContact O-N 3.15Å; V1640-M1642 PolarHBondContact O-N 3.42Å; M1642-A1645 WeakPolarHBondContact O-CB 3.47Å; M1642-A1645 PolarHBondContact O-N 3.27Å; M1642-L1646 PolarHBondContact O-N 3.49Å |
| 1643 | L | 52.5 | Low | 56 | Low | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 166 | -90.4 | 159.2 | 0 | 0 | 0 | 111.9 | I1624 H1639 V1640 A1645 L1646 G1647 | I1624-L1643 HydrophobicContact CD1-CD2 3.87Å; I1624-L1643 HydrophobicContact CD1-CG 4.05Å; I1624-L1643 HydrophobicContact CG2-CD1 3.8Å; I1624-L1643 HydrophobicContact CG2-CD2 4.38Å; I1624-L1643 HydrophobicContact CG2-CG 4.21Å; H1639-L1643 PolarHBondContact O-N 2.93Å; V1640-L1643 WeakPolarHBondContact O-CB 2.79Å; V1640-L1643 PolarHBondContact O-N 3.45Å; V1640-L1643 VanDerWaalsContact O-N 3.11Å; L1643-A1645 VanDerWaalsContact C-N 3.31Å; L1643-A1645 PolarHBondContact O-N 2.93Å; L1643-L1646 WeakPolarHBondContact O-CB 3.1Å; L1643-L1646 PolarHBondContact O-N 3.17Å; L1643-G1647 PolarHBondContact O-N 3.41Å |
| 1644 | C | 54.4 | Low | 56.8 | Low | 6 Ų | 6 | 41.4 Ų | 41.4 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.4 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | V1640 C1641 L1646 G1647 N1648 V1692 | V1640-C1644 PolarHBondContact O-N 3.38Å; V1640-C1644 PolarHBondContact O-SG 2.83Å; V1640-C1644 VanDerWaalsContact O-SG 3.34Å; C1641-C1644 PolarHBondContact O-N 2.98Å; C1644-L1646 VanDerWaalsContact C-N 3.34Å; C1644-G1647 WeakPolarHBondContact O-CA 3.45Å; C1644-G1647 PolarHBondContact O-N 3.25Å; C1644-G1647 VanDerWaalsContact O-N 3.12Å; C1644-N1648 PolarHBondContact O-N 2.93Å; C1644-V1692 HydrophobicContact CB-CG1 4.06Å |
| 1645 | A | 56.8 | Low | 57.6 | Low | 46 Ų | 46 | 43.7 Ų | 43.7 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1641 M1642 L1643 G1647 N1648 V1649 | C1641-A1645 PolarHBondContact O-N 3.39Å; M1642-A1645 WeakPolarHBondContact O-CB 3.47Å; M1642-A1645 PolarHBondContact O-N 3.27Å; L1643-A1645 VanDerWaalsContact C-N 3.31Å; L1643-A1645 PolarHBondContact O-N 2.93Å; A1645-G1647 VanDerWaalsContact C-N 3.28Å; A1645-G1647 PolarHBondContact O-N 3.47Å; A1645-N1648 PolarHBondContact O-N 3.13Å; A1645-V1649 VanDerWaalsContact O-CG2 3.24Å; A1645-V1649 WeakPolarHBondContact O-CG2 3.4Å; A1645-V1649 PolarHBondContact O-N 3.29Å; A1645-V1649 VanDerWaalsContact O-N 3.15Å |
| 1646 | L | 57.9 | Low | 58.5 | Low | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 170.7 | -169.3 | 80.8 | 0 | 0 | 0 | 110.6 | I1596 M1642 L1643 C1644 V1649 C1650 | I1596-L1646 HydrophobicContact CD1-CD1 3.85Å; I1596-L1646 HydrophobicContact CG2-CD1 4.24Å; M1642-L1646 PolarHBondContact O-N 3.49Å; L1643-L1646 WeakPolarHBondContact O-CB 3.1Å; L1643-L1646 PolarHBondContact O-N 3.17Å; C1644-L1646 VanDerWaalsContact C-N 3.34Å; L1646-V1649 CarbonylContact O-C 3.6Å; L1646-V1649 WeakPolarHBondContact O-CB 3.23Å; L1646-V1649 PolarHBondContact O-N 3.11Å; L1646-V1649 VanDerWaalsContact O-N 3.14Å; L1646-C1650 VanDerWaalsContact O-CB 3.23Å; L1646-C1650 WeakPolarHBondContact O-CB 3.3Å; L1646-C1650 PolarHBondContact O-N 2.91Å; L1646-C1650 PolarHBondContact O-SG 3.27Å |
| 1647 | G | 59.1 | Low | 59.1 | Low | 5 Ų | 5 | 41.5 Ų | 41.5 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58 | -48.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | L1643 C1644 A1645 V1649 C1650 F1651 T1696 | L1643-G1647 PolarHBondContact O-N 3.41Å; C1644-G1647 WeakPolarHBondContact O-CA 3.45Å; C1644-G1647 PolarHBondContact O-N 3.25Å; C1644-G1647 VanDerWaalsContact O-N 3.12Å; A1645-G1647 VanDerWaalsContact C-N 3.28Å; A1645-G1647 PolarHBondContact O-N 3.47Å; G1647-V1649 VanDerWaalsContact C-N 3.28Å; G1647-V1649 PolarHBondContact O-N 2.82Å; G1647-C1650 PolarHBondContact O-N 3.08Å; G1647-F1651 PolarHBondContact O-N 2.92Å; G1647-F1651 VanDerWaalsContact O-N 3.1Å; G1647-T1696 WeakPolarHBondContact O-CG2 3.36Å |
| 1648 | N | 60.6 | Low | 59.8 | Low | 78 Ų | 78 | 46.9 Ų | 46.9 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 174.5 | -72 | -9.9 | 0 | 0 | 0 | 112 | C1644 A1645 F1651 D1652 T1696 | C1644-N1648 PolarHBondContact O-N 2.93Å; A1645-N1648 PolarHBondContact O-N 3.13Å; N1648-F1651 WeakPolarHBondContact O-CB 3.35Å; N1648-D1652 PolarHBondContact O-N 3.35Å; N1648-T1696 PolarHBondContact OD1-OG1 3.46Å |
| 1649 | V | 60 | Low | 60.7 | Low | 26 Ų | 26 | 44.6 Ų | 44.6 | 16% | 0.158 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.9 | -44.6 | 177.3 | 165.1 | 0 | 0 | 0 | 0 | 112 | F1600 A1645 L1646 G1647 F1651 D1652 V1653 | F1600-V1649 HydrophobicContact CB-CG1 4.21Å; F1600-V1649 HydrophobicContact CB-CG2 4.26Å; F1600-V1649 HydrophobicContact CD1-CG2 3.93Å; F1600-V1649 HydrophobicContact CD2-CB 4Å; F1600-V1649 HydrophobicContact CD2-CG1 3.43Å; F1600-V1649 VanDerWaalsContact CD2-CG1 3.43Å; F1600-V1649 HydrophobicContact CD2-CG2 3.76Å; F1600-V1649 HydrophobicContact CE1-CG2 4.1Å; F1600-V1649 HydrophobicContact CE2-CB 4.1Å; F1600-V1649 HydrophobicContact CE2-CG1 3.91Å; F1600-V1649 HydrophobicContact CE2-CG2 3.93Å; F1600-V1649 HydrophobicContact CG-CB 4.41Å; F1600-V1649 HydrophobicContact CG-CG1 3.98Å; F1600-V1649 HydrophobicContact CG-CG2 3.71Å; F1600-V1649 HydrophobicContact CZ-CG2 4.06Å; A1645-V1649 VanDerWaalsContact O-CG2 3.24Å; A1645-V1649 WeakPolarHBondContact O-CG2 3.4Å; A1645-V1649 PolarHBondContact O-N 3.29Å; A1645-V1649 VanDerWaalsContact O-N 3.15Å; L1646-V1649 CarbonylContact O-C 3.6Å; L1646-V1649 WeakPolarHBondContact O-CB 3.23Å; L1646-V1649 PolarHBondContact O-N 3.11Å; L1646-V1649 VanDerWaalsContact O-N 3.14Å; G1647-V1649 VanDerWaalsContact C-N 3.28Å; G1647-V1649 PolarHBondContact O-N 2.82Å; V1649-F1651 PolarHBondContact O-N 2.91Å; V1649-D1652 PolarHBondContact O-N 3.41Å; V1649-V1653 WeakPolarHBondContact O-CG2 3.32Å; V1649-V1653 PolarHBondContact O-N 2.68Å |
| 1650 | C | 63.2 | Low | 61.6 | Low | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57 | -34.5 | 175.3 | -81.2 | 0 | 0 | 0 | 0 | 111.4 | L1646 G1647 V1653 L1654 V1667 F1671 | L1646-C1650 VanDerWaalsContact O-CB 3.23Å; L1646-C1650 WeakPolarHBondContact O-CB 3.3Å; L1646-C1650 PolarHBondContact O-N 2.91Å; L1646-C1650 PolarHBondContact O-SG 3.27Å; G1647-C1650 PolarHBondContact O-N 3.08Å; C1650-V1653 PolarHBondContact O-N 3.37Å; C1650-L1654 WeakPolarHBondContact O-CG 3.4Å; C1650-L1654 PolarHBondContact O-N 3.49Å; C1650-V1667 HydrophobicContact CB-CG1 3.41Å; C1650-V1667 VanDerWaalsContact CB-CG1 3.41Å; C1650-V1667 HydrophobicContact CB-CG2 4.49Å; C1650-F1671 HydrophobicContact CB-CE2 3.75Å; C1650-F1671 HydrophobicContact CB-CZ 3.76Å |
| 1651 | F | 63.1 | Low | 62.7 | Low | 33 Ų | 33 | 48.1 Ų | 48.1 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.1 | -50.9 | 176.1 | -177.9 | -108.3 | 0 | 0 | 0 | 113.6 | G1647 N1648 V1649 V1653 L1654 Q1655 I1699 N1703 | G1647-F1651 PolarHBondContact O-N 2.92Å; G1647-F1651 VanDerWaalsContact O-N 3.1Å; N1648-F1651 WeakPolarHBondContact O-CB 3.35Å; V1649-F1651 PolarHBondContact O-N 2.91Å; F1651-V1653 PolarHBondContact O-N 2.74Å; F1651-L1654 PolarHBondContact O-N 3.21Å; F1651-Q1655 HydrophobicContact CD1-CG 4.38Å; F1651-Q1655 HydrophobicContact CD2-CG 4.5Å; F1651-Q1655 HydrophobicContact CE1-CG 3.89Å; F1651-Q1655 HydrophobicContact CE2-CG 4.03Å; F1651-Q1655 HydrophobicContact CZ-CG 3.74Å; F1651-Q1655 PolarHBondContact O-N 2.84Å; F1651-I1699 HydrophobicContact CB-CG2 4.39Å; F1651-I1699 HydrophobicContact CD1-CG2 3.82Å; F1651-I1699 HydrophobicContact CD2-CB 4.49Å; F1651-I1699 HydrophobicContact CD2-CG2 3.09Å; F1651-I1699 HydrophobicContact CE1-CG2 3.68Å; F1651-I1699 HydrophobicContact CE2-CB 4.29Å; F1651-I1699 HydrophobicContact CE2-CG2 2.91Å; F1651-I1699 HydrophobicContact CG-CG2 3.49Å; F1651-I1699 VanDerWaalsContact CG-CG2 3.49Å; F1651-I1699 HydrophobicContact CZ-CG2 3.19Å; F1651-N1703 HydrophobicContact CE2-CB 4.24Å; F1651-N1703 WeakPolarHBondContact CE2-ND2 3.42Å; F1651-N1703 WeakPolarHBondContact CZ-ND2 3.4Å |
| 1652 | D | 66.1 | Low | 63.8 | Low | 42 Ų | 42 | 46.6 Ų | 46.6 | 23% | 0.225 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.2 | -39.3 | 176.2 | -88.8 | 15.2 | 0 | 0 | 0 | 110.4 | F1600 K1604 N1648 V1649 Q1655 H1656 | F1600-D1652 HydrophobicContact CE2-CB 3.72Å; F1600-D1652 HydrophobicContact CZ-CB 4.06Å; F1600-D1652 WeakPolarHBondContact CZ-OD2 3.39Å; K1604-D1652 WeakPolarHBondContact CE-OD2 3.41Å; K1604-D1652 IonicContact NZ-OD2 2.74Å; N1648-D1652 PolarHBondContact O-N 3.35Å; V1649-D1652 PolarHBondContact O-N 3.41Å; D1652-Q1655 PolarHBondContact O-N 2.79Å; D1652-H1656 PolarHBondContact O-N 2.95Å; D1652-H1656 VanDerWaalsContact O-N 3.13Å; D1652-H1656 PolarHBondContact O-ND1 2.74Å |
| 1653 | V | 69.3 | Low | 64.8 | Low | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.9 | 175.5 | 0 | 0 | 0 | 0 | 112.7 | M1603 V1649 C1650 F1651 V1659 V1663 V1667 | M1603-V1653 HydrophobicContact CE-CG2 4.47Å; M1603-V1653 HydrophobicContact SD-CG2 3.96Å; V1649-V1653 WeakPolarHBondContact O-CG2 3.32Å; V1649-V1653 PolarHBondContact O-N 2.68Å; C1650-V1653 PolarHBondContact O-N 3.37Å; F1651-V1653 PolarHBondContact O-N 2.74Å; V1653-V1659 HydrophobicContact CG1-CB 4.42Å; V1653-V1659 HydrophobicContact CG1-CG1 3.66Å; V1653-V1659 HydrophobicContact CG1-CG2 4.17Å; V1653-V1659 WeakPolarHBondContact O-CG2 3.41Å; V1653-V1663 HydrophobicContact CG1-CG1 3.69Å; V1653-V1667 HydrophobicContact CB-CG2 4.46Å; V1653-V1667 HydrophobicContact CG1-CG2 4.02Å |
| 1654 | L | 66.4 | Low | 66 | Low | 22 Ų | 22 | 43 Ų | 43 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.1 | -32.5 | 177.3 | -71.7 | 169.5 | 0 | 0 | 0 | 112.2 | C1650 F1651 K1664 V1667 L1668 L1700 L1707 | C1650-L1654 WeakPolarHBondContact O-CG 3.4Å; C1650-L1654 PolarHBondContact O-N 3.49Å; F1651-L1654 PolarHBondContact O-N 3.21Å; L1654-K1664 HydrophobicContact CD2-CB 3.97Å; L1654-K1664 HydrophobicContact CD2-CG 4.19Å; L1654-V1667 HydrophobicContact CD1-CG1 3.91Å; L1654-V1667 HydrophobicContact CD2-CG1 4.23Å; L1654-V1667 HydrophobicContact CG-CG1 3.91Å; L1654-L1668 HydrophobicContact CD1-CD2 4.17Å; L1654-L1668 HydrophobicContact CD2-CD2 4.47Å; L1654-L1668 HydrophobicContact CD2-CG 4.27Å; L1654-L1700 HydrophobicContact CD1-CD1 3.85Å; L1654-L1707 HydrophobicContact CD2-CD2 4.08Å |
| 1655 | Q | 65.2 | Low | 67 | Low | 108 Ų | 108 | 42.9 Ų | 42.9 | 51% | 0.505 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -77.4 | -26.8 | 177.8 | -71.1 | -156.1 | -31.2 | 0 | 0 | 114.2 | F1651 D1652 S1657 N1703 | F1651-Q1655 HydrophobicContact CD1-CG 4.38Å; F1651-Q1655 HydrophobicContact CD2-CG 4.5Å; F1651-Q1655 HydrophobicContact CE1-CG 3.89Å; F1651-Q1655 HydrophobicContact CE2-CG 4.03Å; F1651-Q1655 HydrophobicContact CZ-CG 3.74Å; F1651-Q1655 PolarHBondContact O-N 2.84Å; D1652-Q1655 PolarHBondContact O-N 2.79Å; Q1655-S1657 PolarHBondContact O-N 2.86Å; Q1655-N1703 PolarHBondContact NE2-ND2 3.26Å; Q1655-N1703 VanDerWaalsContact NE2-ND2 3.16Å |
| 1656 | H | 67.9 | Low | 68 | Low | 93 Ų | 93 | 40.7 Ų | 40.7 | 43% | 0.431 | 22% | 0.217 | S | C | . | . | trans | -72.7 | 121.8 | 179.5 | -80.9 | 66.8 | 0 | 0 | 0 | 111.1 | D1652 H1658 V1659 K1664 | D1652-H1656 PolarHBondContact O-N 2.95Å; D1652-H1656 VanDerWaalsContact O-N 3.13Å; D1652-H1656 PolarHBondContact O-ND1 2.74Å; H1656-H1658 VanDerWaalsContact C-N 3.27Å; H1656-H1658 PolarHBondContact O-N 2.98Å; H1656-V1659 HydrophobicContact CB-CG2 3.69Å; H1656-V1659 PolarHBondContact O-N 3.28Å; H1656-K1664 WeakPolarHBondContact O-CE 3.5Å; H1656-K1664 PolarHBondContact O-NZ 3.2Å | ||
| 1657 | S | 61.5 | Low | 68.9 | Low | 90 Ų | 90 | 40.2 Ų | 40.2 | 63% | 0.629 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -29.7 | 179.7 | 53 | 0 | 0 | 0 | 0 | 113.3 | Q1655 V1659 | Q1655-S1657 PolarHBondContact O-N 2.86Å; S1657-V1659 VanDerWaalsContact C-N 3.33Å; S1657-V1659 PolarHBondContact O-N 3.41Å |
| 1658 | H | 64.8 | Low | 69.6 | Low | 145 Ų | 145 | 40.1 Ų | 40.1 | 67% | 0.671 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 1 | -176.3 | -62.9 | -67.2 | 0 | 0 | 0 | 115 | H1656 | H1656-H1658 VanDerWaalsContact C-N 3.27Å; H1656-H1658 PolarHBondContact O-N 2.98Å |
| 1659 | V | 70.8 | Confident | 70.2 | Confident | 16 Ų | 16 | 37.1 Ų | 37.1 | 10% | 0.097 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -82.5 | 128.3 | 178.8 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | P1609 V1653 H1656 S1657 V1663 K1664 | P1609-V1659 HydrophobicContact CG-CB 4.24Å; P1609-V1659 HydrophobicContact CG-CG1 4.06Å; P1609-V1659 HydrophobicContact CG-CG2 4.15Å; V1653-V1659 HydrophobicContact CG1-CB 4.42Å; V1653-V1659 HydrophobicContact CG1-CG1 3.66Å; V1653-V1659 HydrophobicContact CG1-CG2 4.17Å; V1653-V1659 WeakPolarHBondContact O-CG2 3.41Å; H1656-V1659 HydrophobicContact CB-CG2 3.69Å; H1656-V1659 PolarHBondContact O-N 3.28Å; S1657-V1659 VanDerWaalsContact C-N 3.33Å; S1657-V1659 PolarHBondContact O-N 3.41Å; V1659-V1663 HydrophobicContact CG1-CB 3.7Å; V1659-V1663 HydrophobicContact CG1-CG1 3.58Å; V1659-K1664 HydrophobicContact CB-CG 4.39Å; V1659-K1664 HydrophobicContact CG1-CG 3.96Å; V1659-K1664 WeakPolarHBondContact O-CE 3.39Å |
| 1660 | C | 72.8 | Confident | 70.9 | Confident | 56 Ų | 56 | 36.2 Ų | 36.2 | 38% | 0.378 | 19% | 0.19 | S | C | . | . | trans | -64.2 | 151.8 | 179.6 | 73 | 0 | 0 | 0 | 0 | 112.7 | E1662 V1663 K1664 | C1660-E1662 PolarHBondContact O-N 3.41Å; C1660-V1663 PolarHBondContact O-N 2.99Å; C1660-V1663 VanDerWaalsContact O-N 3.17Å; C1660-V1663 VanDerWaalsContact SG-CG2 3.54Å; C1660-K1664 PolarHBondContact O-N 3.45Å | ||
| 1661 | L | 75.2 | Confident | 71.1 | Confident | 75 Ų | 75 | 36.7 Ų | 36.7 | 39% | 0.393 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54 | -39.8 | -177.1 | 176.3 | 58.4 | 0 | 0 | 0 | 113 | V1663 K1664 C1665 S1709 L1712 | L1661-V1663 VanDerWaalsContact C-N 3.35Å; L1661-V1663 PolarHBondContact O-N 2.96Å; L1661-K1664 PolarHBondContact O-N 3.44Å; L1661-C1665 WeakPolarHBondContact O-CB 3.31Å; L1661-C1665 PolarHBondContact O-N 3.45Å; L1661-C1665 PolarHBondContact O-SG 2.7Å; L1661-C1665 VanDerWaalsContact O-SG 3.39Å; L1661-S1709 VanDerWaalsContact CD1-CB 3.47Å; L1661-S1709 WeakPolarHBondContact CD1-OG 3.3Å; L1661-L1712 HydrophobicContact CD1-CD1 3.53Å; L1661-L1712 HydrophobicContact CD1-CD2 3.85Å; L1661-L1712 HydrophobicContact CD1-CG 3.39Å |
| 1662 | E | 76.2 | Confident | 71.1 | Confident | 32 Ų | 32 | 40.2 Ų | 40.2 | 15% | 0.15 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | -178.5 | -166.9 | 178.1 | -170.7 | 0 | 0 | 112.9 | I1503 N1504 R1558 A1614 C1660 C1665 A1666 | I1503-E1662 WeakPolarHBondContact CB-OE1 3.32Å; I1503-E1662 HydrophobicContact CG2-CG 4.25Å; I1503-E1662 WeakPolarHBondContact CG2-OE1 3.28Å; I1503-E1662 PolarHBondContact N-OE1 3.11Å; N1504-E1662 PolarHBondContact ND2-O 2.92Å; R1558-E1662 IonicContact CZ-OE1 2.63Å; R1558-E1662 IonicContact CZ-OE2 2.79Å; R1558-E1662 IonicContact NE-OE1 3.06Å; R1558-E1662 IonicContact NE-OE2 2.89Å; R1558-E1662 IonicContact NH2-OE1 3.23Å; R1558-E1662 PolarHBondContact NH2-OE1 3.36Å; R1558-E1662 IonicContact NH2-OE2 3.12Å; R1558-E1662 PolarHBondContact NH2-OE2 2.8Å; A1614-E1662 HydrophobicContact CB-CB 4.41Å; A1614-E1662 HydrophobicContact CB-CG 3.8Å; C1660-E1662 PolarHBondContact O-N 3.41Å; E1662-C1665 WeakPolarHBondContact O-CB 3.49Å; E1662-C1665 PolarHBondContact O-N 2.94Å; E1662-A1666 PolarHBondContact O-N 2.99Å |
| 1663 | V | 77.8 | Confident | 70.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.1 | -44.2 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | L1613 A1614 I1617 V1653 V1659 C1660 L1661 C1665 A1666 V1667 | L1613-V1663 HydrophobicContact CB-CG2 3.96Å; L1613-V1663 HydrophobicContact CD2-CB 4.46Å; L1613-V1663 HydrophobicContact CD2-CG1 3.56Å; L1613-V1663 HydrophobicContact CD2-CG2 4Å; L1613-V1663 HydrophobicContact CG-CG1 3.99Å; L1613-V1663 HydrophobicContact CG-CG2 4.12Å; A1614-V1663 HydrophobicContact CB-CG2 4Å; I1617-V1663 HydrophobicContact CD1-CG1 4.22Å; V1653-V1663 HydrophobicContact CG1-CG1 3.69Å; V1659-V1663 HydrophobicContact CG1-CB 3.7Å; V1659-V1663 HydrophobicContact CG1-CG1 3.58Å; C1660-V1663 PolarHBondContact O-N 2.99Å; C1660-V1663 VanDerWaalsContact O-N 3.17Å; C1660-V1663 VanDerWaalsContact SG-CG2 3.54Å; L1661-V1663 VanDerWaalsContact C-N 3.35Å; L1661-V1663 PolarHBondContact O-N 2.96Å; V1663-C1665 VanDerWaalsContact C-N 3.26Å; V1663-C1665 PolarHBondContact O-N 3.23Å; V1663-A1666 PolarHBondContact O-N 3.22Å; V1663-V1667 WeakPolarHBondContact O-CG2 3.38Å; V1663-V1667 PolarHBondContact O-N 2.85Å |
| 1664 | K | 76.9 | Confident | 70 | Confident | 11 Ų | 11 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -39 | 175.3 | -65.8 | -172.6 | -179.7 | -173.9 | 0 | 111 | L1654 H1656 V1659 C1660 L1661 V1667 L1668 D1708 L1712 | L1654-K1664 HydrophobicContact CD2-CB 3.97Å; L1654-K1664 HydrophobicContact CD2-CG 4.19Å; H1656-K1664 WeakPolarHBondContact O-CE 3.5Å; H1656-K1664 PolarHBondContact O-NZ 3.2Å; V1659-K1664 HydrophobicContact CB-CG 4.39Å; V1659-K1664 HydrophobicContact CG1-CG 3.96Å; V1659-K1664 WeakPolarHBondContact O-CE 3.39Å; C1660-K1664 PolarHBondContact O-N 3.45Å; L1661-K1664 PolarHBondContact O-N 3.44Å; K1664-V1667 PolarHBondContact O-N 2.83Å; K1664-L1668 WeakPolarHBondContact O-CG 3.46Å; K1664-L1668 PolarHBondContact O-N 3.32Å; K1664-D1708 IonicContact NZ-OD2 3.89Å; K1664-L1712 HydrophobicContact CB-CD1 3.8Å; K1664-L1712 HydrophobicContact CB-CD2 3.56Å; K1664-L1712 HydrophobicContact CB-CG 4.35Å; K1664-L1712 HydrophobicContact CD-CD1 3.82Å; K1664-L1712 HydrophobicContact CG-CD1 4.45Å |
| 1665 | C | 76 | Confident | 69.3 | Low | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.02 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 173.6 | -77.3 | 0 | 0 | 0 | 0 | 112.1 | L1661 E1662 V1663 V1667 L1668 Q1669 L1712 | L1661-C1665 WeakPolarHBondContact O-CB 3.31Å; L1661-C1665 PolarHBondContact O-N 3.45Å; L1661-C1665 PolarHBondContact O-SG 2.7Å; L1661-C1665 VanDerWaalsContact O-SG 3.39Å; E1662-C1665 WeakPolarHBondContact O-CB 3.49Å; E1662-C1665 PolarHBondContact O-N 2.94Å; V1663-C1665 VanDerWaalsContact C-N 3.26Å; V1663-C1665 PolarHBondContact O-N 3.23Å; C1665-V1667 VanDerWaalsContact C-N 3.3Å; C1665-V1667 PolarHBondContact O-N 3.02Å; C1665-L1668 PolarHBondContact O-N 2.99Å; C1665-Q1669 WeakPolarHBondContact O-CG 3.22Å; C1665-Q1669 PolarHBondContact O-N 3.44Å; C1665-L1712 HydrophobicContact CB-CD2 4.36Å; C1665-L1712 VanDerWaalsContact SG-CD2 3.58Å |
| 1666 | A | 78 | Confident | 68.6 | Low | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1504 A1614 I1617 R1618 E1662 V1663 Q1669 S1670 | N1504-A1666 WeakPolarHBondContact OD1-CA 3.4Å; N1504-A1666 WeakPolarHBondContact OD1-CB 3.5Å; A1614-A1666 HydrophobicContact CB-CB 3.91Å; A1614-A1666 WeakPolarHBondContact O-CB 3.45Å; I1617-A1666 HydrophobicContact CB-CB 4.29Å; I1617-A1666 HydrophobicContact CG2-CB 4.3Å; R1618-A1666 HydrophobicContact CG-CB 4.01Å; E1662-A1666 PolarHBondContact O-N 2.99Å; V1663-A1666 PolarHBondContact O-N 3.22Å; A1666-Q1669 PolarHBondContact O-N 3.38Å; A1666-S1670 PolarHBondContact O-N 3.5Å |
| 1667 | V | 76.7 | Confident | 67.8 | Low | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.2 | -50.2 | 172.8 | 165.4 | 0 | 0 | 0 | 0 | 111.3 | I1617 C1650 V1653 L1654 V1663 K1664 C1665 Q1669 S1670 F1671 | I1617-V1667 HydrophobicContact CD1-CG2 3.75Å; C1650-V1667 HydrophobicContact CB-CG1 3.41Å; C1650-V1667 VanDerWaalsContact CB-CG1 3.41Å; C1650-V1667 HydrophobicContact CB-CG2 4.49Å; V1653-V1667 HydrophobicContact CB-CG2 4.46Å; V1653-V1667 HydrophobicContact CG1-CG2 4.02Å; L1654-V1667 HydrophobicContact CD1-CG1 3.91Å; L1654-V1667 HydrophobicContact CD2-CG1 4.23Å; L1654-V1667 HydrophobicContact CG-CG1 3.91Å; V1663-V1667 WeakPolarHBondContact O-CG2 3.38Å; V1663-V1667 PolarHBondContact O-N 2.85Å; K1664-V1667 PolarHBondContact O-N 2.83Å; C1665-V1667 VanDerWaalsContact C-N 3.3Å; C1665-V1667 PolarHBondContact O-N 3.02Å; V1667-Q1669 VanDerWaalsContact C-N 3.32Å; V1667-Q1669 PolarHBondContact O-N 3.48Å; V1667-S1670 PolarHBondContact O-N 2.97Å; V1667-S1670 PolarHBondContact O-OG 2.88Å; V1667-F1671 HydrophobicContact CG1-CD2 4.38Å; V1667-F1671 HydrophobicContact CG1-CE2 3.86Å; V1667-F1671 WeakPolarHBondContact O-CD2 3.46Å; V1667-F1671 PolarHBondContact O-N 3.11Å |
| 1668 | L | 73.1 | Confident | 67.2 | Low | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 177.7 | -73 | 177.5 | 0 | 0 | 0 | 111.5 | L1654 K1664 C1665 S1670 F1671 R1672 L1700 L1707 L1712 L1715 I1719 | L1654-L1668 HydrophobicContact CD1-CD2 4.17Å; L1654-L1668 HydrophobicContact CD2-CD2 4.47Å; L1654-L1668 HydrophobicContact CD2-CG 4.27Å; K1664-L1668 WeakPolarHBondContact O-CG 3.46Å; K1664-L1668 PolarHBondContact O-N 3.32Å; C1665-L1668 PolarHBondContact O-N 2.99Å; L1668-S1670 VanDerWaalsContact C-N 3.26Å; L1668-S1670 PolarHBondContact O-N 3.31Å; L1668-F1671 WeakPolarHBondContact O-CB 3.25Å; L1668-F1671 PolarHBondContact O-N 3.31Å; L1668-F1671 VanDerWaalsContact O-N 3.12Å; L1668-R1672 PolarHBondContact O-N 2.78Å; L1668-L1700 HydrophobicContact CD2-CD1 4.17Å; L1668-L1707 HydrophobicContact CD1-CD1 4.26Å; L1668-L1712 HydrophobicContact CD1-CB 4.01Å; L1668-L1712 HydrophobicContact CD1-CD2 3.63Å; L1668-L1712 HydrophobicContact CD1-CG 4.42Å; L1668-L1712 WeakPolarHBondContact CD1-O 3.44Å; L1668-L1715 HydrophobicContact CB-CD2 3.49Å; L1668-L1715 VanDerWaalsContact CB-CD2 3.49Å; L1668-L1715 HydrophobicContact CB-CG 4.18Å; L1668-L1715 HydrophobicContact CD1-CD2 4.33Å; L1668-I1719 HydrophobicContact CB-CD1 3.89Å; L1668-I1719 HydrophobicContact CD2-CD1 4.39Å; L1668-I1719 WeakPolarHBondContact O-CD1 3.41Å |
| 1669 | Q | 73.7 | Confident | 66.5 | Low | 15 Ų | 15 | 26 Ų | 26 | 7% | 0.07 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64 | -28.5 | 177.2 | -71.2 | -172 | 0.9 | 0 | 0 | 113.5 | N1508 C1665 A1666 V1667 F1671 R1672 L1673 L1715 | N1508-Q1669 PolarHBondContact ND2-NE2 3.4Å; C1665-Q1669 WeakPolarHBondContact O-CG 3.22Å; C1665-Q1669 PolarHBondContact O-N 3.44Å; A1666-Q1669 PolarHBondContact O-N 3.38Å; V1667-Q1669 VanDerWaalsContact C-N 3.32Å; V1667-Q1669 PolarHBondContact O-N 3.48Å; Q1669-F1671 VanDerWaalsContact C-N 3.32Å; Q1669-R1672 WeakPolarHBondContact O-CB 3.36Å; Q1669-R1672 PolarHBondContact O-N 3.45Å; Q1669-L1673 PolarHBondContact O-N 3.03Å; Q1669-L1715 HydrophobicContact CG-CD1 4.16Å; Q1669-L1715 HydrophobicContact CG-CD2 3.63Å; Q1669-L1715 HydrophobicContact CG-CG 4.47Å |
| 1670 | S | 73.9 | Confident | 65.6 | Low | 7 Ų | 7 | 32.5 Ų | 32.5 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -35.8 | 174.1 | 76 | 0 | 0 | 0 | 0 | 112.1 | T1621 A1666 V1667 L1668 R1672 L1673 S1674 | T1621-S1670 WeakPolarHBondContact OG1-CB 3.21Å; A1666-S1670 PolarHBondContact O-N 3.5Å; V1667-S1670 PolarHBondContact O-N 2.97Å; V1667-S1670 PolarHBondContact O-OG 2.88Å; L1668-S1670 VanDerWaalsContact C-N 3.26Å; L1668-S1670 PolarHBondContact O-N 3.31Å; S1670-R1672 VanDerWaalsContact C-N 3.34Å; S1670-R1672 PolarHBondContact O-N 2.71Å; S1670-L1673 PolarHBondContact O-N 3.17Å; S1670-S1674 PolarHBondContact O-N 3.12Å |
| 1671 | F | 68 | Low | 64.6 | Low | 13 Ų | 13 | 30 Ų | 30 | 6% | 0.057 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.8 | -34 | 170.7 | -68.4 | -75.6 | 0 | 0 | 0 | 112.9 | C1650 V1667 L1668 Q1669 L1673 S1674 N1675 T1696 F1697 L1700 I1719 | C1650-F1671 HydrophobicContact CB-CE2 3.75Å; C1650-F1671 HydrophobicContact CB-CZ 3.76Å; V1667-F1671 HydrophobicContact CG1-CD2 4.38Å; V1667-F1671 HydrophobicContact CG1-CE2 3.86Å; V1667-F1671 WeakPolarHBondContact O-CD2 3.46Å; V1667-F1671 PolarHBondContact O-N 3.11Å; L1668-F1671 WeakPolarHBondContact O-CB 3.25Å; L1668-F1671 PolarHBondContact O-N 3.31Å; L1668-F1671 VanDerWaalsContact O-N 3.12Å; Q1669-F1671 VanDerWaalsContact C-N 3.32Å; F1671-L1673 VanDerWaalsContact C-N 3.31Å; F1671-L1673 PolarHBondContact O-N 3.18Å; F1671-S1674 WeakPolarHBondContact CA-OG 3.32Å; F1671-S1674 PolarHBondContact O-N 2.92Å; F1671-S1674 PolarHBondContact O-OG 2.93Å; F1671-N1675 PolarHBondContact O-N 3.12Å; F1671-T1696 HydrophobicContact CE1-CG2 4.43Å; F1671-F1697 HydrophobicContact CD1-CZ 4.19Å; F1671-L1700 HydrophobicContact CD2-CD1 3.84Å; F1671-L1700 HydrophobicContact CE1-CD1 4.42Å; F1671-L1700 HydrophobicContact CE2-CD1 3.53Å; F1671-L1700 HydrophobicContact CG-CD1 4.4Å; F1671-L1700 HydrophobicContact CZ-CD1 3.86Å; F1671-I1719 HydrophobicContact CB-CD1 4.45Å; F1671-I1719 HydrophobicContact CB-CG2 4.21Å |
| 1672 | R | 62.5 | Low | 63.4 | Low | 108 Ų | 108 | 27 Ų | 27 | 41% | 0.408 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 175.8 | -168.9 | 178 | 173.5 | 163.9 | -1 | 111.9 | L1668 Q1669 S1670 N1675 I1719 | L1668-R1672 PolarHBondContact O-N 2.78Å; Q1669-R1672 WeakPolarHBondContact O-CB 3.36Å; Q1669-R1672 PolarHBondContact O-N 3.45Å; S1670-R1672 VanDerWaalsContact C-N 3.34Å; S1670-R1672 PolarHBondContact O-N 2.71Å; R1672-N1675 WeakPolarHBondContact O-CB 3.26Å; R1672-I1719 HydrophobicContact CB-CD1 4.38Å; R1672-I1719 HydrophobicContact CB-CG1 3.8Å; R1672-I1719 HydrophobicContact CG-CG1 4.3Å |
| 1673 | L | 58.1 | Low | 62.2 | Low | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.7 | -38.2 | 176 | -81.1 | 159.2 | 0 | 0 | 0 | 111.1 | T1621 Q1669 S1670 F1671 N1675 I1676 F1677 | T1621-L1673 HydrophobicContact CG2-CB 3.77Å; T1621-L1673 HydrophobicContact CG2-CD1 3.53Å; T1621-L1673 HydrophobicContact CG2-CG 4.29Å; Q1669-L1673 PolarHBondContact O-N 3.03Å; S1670-L1673 PolarHBondContact O-N 3.17Å; F1671-L1673 VanDerWaalsContact C-N 3.31Å; F1671-L1673 PolarHBondContact O-N 3.18Å; L1673-N1675 PolarHBondContact O-N 3.01Å; L1673-N1675 VanDerWaalsContact O-N 3.15Å; L1673-I1676 HydrophobicContact CD2-CD1 4.37Å; L1673-I1676 WeakPolarHBondContact O-CB 3.47Å; L1673-I1676 PolarHBondContact O-N 3.01Å; L1673-F1677 VanDerWaalsContact O-CD2 3.26Å; L1673-F1677 WeakPolarHBondContact O-CD2 3.45Å |
| 1674 | S | 54.3 | Low | 61.1 | Low | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.1 | -30.5 | 176.8 | 77.4 | 0 | 0 | 0 | 0 | 112.4 | S1670 F1671 I1676 F1677 I1678 | S1670-S1674 PolarHBondContact O-N 3.12Å; F1671-S1674 WeakPolarHBondContact CA-OG 3.32Å; F1671-S1674 PolarHBondContact O-N 2.92Å; F1671-S1674 PolarHBondContact O-OG 2.93Å; S1674-I1676 PolarHBondContact O-N 2.86Å; S1674-I1676 VanDerWaalsContact O-N 3.12Å; S1674-F1677 CarbonylContact O-C 3.37Å; S1674-F1677 WeakPolarHBondContact O-CA 3.21Å; S1674-F1677 WeakPolarHBondContact O-CB 3.17Å; S1674-F1677 PolarHBondContact O-N 3.44Å; S1674-I1678 VanDerWaalsContact O-CG1 3.24Å; S1674-I1678 WeakPolarHBondContact O-CG1 3.14Å; S1674-I1678 PolarHBondContact O-N 2.64Å |
| 1675 | N | 52.1 | Low | 60 | Low | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -48.4 | -39.4 | 170.6 | -75.2 | -12.4 | 0 | 0 | 0 | 114.2 | F1671 R1672 L1673 F1677 I1678 V1679 I1719 N1722 I1723 | F1671-N1675 PolarHBondContact O-N 3.12Å; R1672-N1675 WeakPolarHBondContact O-CB 3.26Å; L1673-N1675 PolarHBondContact O-N 3.01Å; L1673-N1675 VanDerWaalsContact O-N 3.15Å; N1675-F1677 VanDerWaalsContact C-N 3.29Å; N1675-F1677 PolarHBondContact O-N 3.25Å; N1675-I1678 PolarHBondContact O-N 2.81Å; N1675-V1679 WeakPolarHBondContact O-CG2 3.48Å; N1675-V1679 PolarHBondContact O-N 3.03Å; N1675-I1719 PolarHBondContact ND2-O 2.93Å; N1675-N1722 WeakPolarHBondContact ND2-CB 3.35Å; N1675-I1723 WeakPolarHBondContact OD1-CG1 3.28Å |
| 1676 | I | 51.1 | Low | 59.2 | Low | 94 Ų | 94 | 39 Ų | 39 | 48% | 0.482 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 178.7 | -60.3 | 175.6 | 0 | 0 | 0 | 110.4 | L1673 S1674 | L1673-I1676 HydrophobicContact CD2-CD1 4.37Å; L1673-I1676 WeakPolarHBondContact O-CB 3.47Å; L1673-I1676 PolarHBondContact O-N 3.01Å; S1674-I1676 PolarHBondContact O-N 2.86Å; S1674-I1676 VanDerWaalsContact O-N 3.12Å |
| 1677 | F | 50 | Low | 58.3 | Low | 16 Ų | 16 | 44.6 Ų | 44.6 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -77.8 | -35.2 | 177.9 | -59.3 | -105.5 | 0 | 0 | 0 | 112.6 | I1624 Y1628 L1673 S1674 N1675 V1679 R1680 G1681 | I1624-F1677 VanDerWaalsContact C-CZ 3.45Å; I1624-F1677 HydrophobicContact CB-CE1 4.39Å; I1624-F1677 HydrophobicContact CB-CZ 4.12Å; I1624-F1677 HydrophobicContact CG2-CD1 4.19Å; I1624-F1677 HydrophobicContact CG2-CE1 3.32Å; I1624-F1677 HydrophobicContact CG2-CE2 4.35Å; I1624-F1677 HydrophobicContact CG2-CZ 3.41Å; I1624-F1677 VanDerWaalsContact CG2-CZ 3.41Å; I1624-F1677 VanDerWaalsContact O-CE1 3.3Å; I1624-F1677 WeakPolarHBondContact O-CE1 3.3Å; I1624-F1677 WeakPolarHBondContact O-CZ 3.43Å; Y1628-F1677 AromaticContact CD1-CD1 3.8Å; Y1628-F1677 HydrophobicContact CD1-CD1 3.8Å; Y1628-F1677 HydrophobicContact CD1-CE1 4.06Å; Y1628-F1677 AromaticContact CD2-CD1 3.36Å; Y1628-F1677 HydrophobicContact CD2-CD1 3.36Å; Y1628-F1677 AromaticContact CD2-CE1 3.78Å; Y1628-F1677 HydrophobicContact CD2-CE1 3.78Å; Y1628-F1677 HydrophobicContact CD2-CG 4.5Å; Y1628-F1677 HydrophobicContact CE1-CD1 4.32Å; Y1628-F1677 AromaticContact CE2-CD1 3.9Å; Y1628-F1677 HydrophobicContact CE2-CD1 3.9Å; Y1628-F1677 AromaticContact CG-CD1 3.31Å; Y1628-F1677 HydrophobicContact CG-CD1 3.31Å; Y1628-F1677 AromaticContact CG-CE1 3.4Å; Y1628-F1677 HydrophobicContact CG-CE1 3.4Å; Y1628-F1677 VanDerWaalsContact CG-CE1 3.4Å; Y1628-F1677 HydrophobicContact CG-CG 4.39Å; Y1628-F1677 HydrophobicContact CG-CZ 4.48Å; L1673-F1677 VanDerWaalsContact O-CD2 3.26Å; L1673-F1677 WeakPolarHBondContact O-CD2 3.45Å; S1674-F1677 CarbonylContact O-C 3.37Å; S1674-F1677 WeakPolarHBondContact O-CA 3.21Å; S1674-F1677 WeakPolarHBondContact O-CB 3.17Å; S1674-F1677 PolarHBondContact O-N 3.44Å; N1675-F1677 VanDerWaalsContact C-N 3.29Å; N1675-F1677 PolarHBondContact O-N 3.25Å; F1677-V1679 VanDerWaalsContact C-N 3.28Å; F1677-V1679 PolarHBondContact O-N 2.96Å; F1677-R1680 PolarHBondContact O-N 2.95Å; F1677-G1681 WeakPolarHBondContact O-CA 3.25Å; F1677-G1681 PolarHBondContact O-N 3.33Å |
| 1678 | I | 50.1 | Low | 57.3 | Low | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.5 | -48.8 | 179.1 | -72.1 | 173.3 | 0 | 0 | 0 | 109.8 | S1674 N1675 R1680 L1682 F1693 F1697 L1726 F1731 | S1674-I1678 VanDerWaalsContact O-CG1 3.24Å; S1674-I1678 WeakPolarHBondContact O-CG1 3.14Å; S1674-I1678 PolarHBondContact O-N 2.64Å; N1675-I1678 PolarHBondContact O-N 2.81Å; I1678-R1680 VanDerWaalsContact C-N 3.27Å; I1678-R1680 PolarHBondContact O-N 3.34Å; I1678-L1682 HydrophobicContact CG2-CD1 3.47Å; I1678-L1682 VanDerWaalsContact CG2-CD1 3.47Å; I1678-L1682 HydrophobicContact CG2-CG 4.34Å; I1678-L1682 VanDerWaalsContact O-CB 3.27Å; I1678-L1682 WeakPolarHBondContact O-CB 3.4Å; I1678-L1682 WeakPolarHBondContact O-CD1 3.49Å; I1678-L1682 WeakPolarHBondContact O-CG 3.28Å; I1678-L1682 PolarHBondContact O-N 3.27Å; I1678-F1693 HydrophobicContact CD1-CE1 3.85Å; I1678-F1693 HydrophobicContact CD1-CZ 3.39Å; I1678-F1693 HydrophobicContact CG1-CE1 3.81Å; I1678-F1693 HydrophobicContact CG1-CE2 4.27Å; I1678-F1693 HydrophobicContact CG1-CZ 3.28Å; I1678-F1693 HydrophobicContact CG2-CE1 4.45Å; I1678-F1697 HydrophobicContact CD1-CE2 3.85Å; I1678-F1697 HydrophobicContact CD1-CZ 3.58Å; I1678-L1726 HydrophobicContact CG2-CD1 4.09Å; I1678-F1731 HydrophobicContact CG2-CD2 3.87Å; I1678-F1731 HydrophobicContact CG2-CE2 3.39Å; I1678-F1731 HydrophobicContact CG2-CZ 4.35Å |
| 1679 | V | 49.8 | Very low | 56.4 | Low | 59 Ų | 59 | 52 Ų | 52 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.4 | -37.7 | -177.2 | 178 | 0 | 0 | 0 | 0 | 112.2 | N1675 F1677 L1726 | N1675-V1679 WeakPolarHBondContact O-CG2 3.48Å; N1675-V1679 PolarHBondContact O-N 3.03Å; F1677-V1679 VanDerWaalsContact C-N 3.28Å; F1677-V1679 PolarHBondContact O-N 2.96Å; V1679-L1726 HydrophobicContact CG2-CB 4.44Å; V1679-L1726 HydrophobicContact CG2-CD1 3.61Å; V1679-L1726 HydrophobicContact CG2-CD2 3.12Å; V1679-L1726 HydrophobicContact CG2-CG 3.86Å |
| 1680 | R | 50.6 | Low | 55.5 | Low | 153 Ų | 153 | 53.4 Ų | 53.4 | 58% | 0.577 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -102.5 | -37 | -173 | -73.1 | -177.3 | 173.1 | -177.3 | 0.6 | 113.2 | Y1628 F1677 I1678 S1683 | Y1628-R1680 HydrophobicContact CE1-CB 4.16Å; Y1628-R1680 WeakPolarHBondContact OH-CB 3.4Å; F1677-R1680 PolarHBondContact O-N 2.95Å; I1678-R1680 VanDerWaalsContact C-N 3.27Å; I1678-R1680 PolarHBondContact O-N 3.34Å; R1680-S1683 PolarHBondContact O-OG 2.93Å |
| 1681 | G | 52.1 | Low | 54.9 | Low | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -78.1 | -27.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1628 F1677 S1683 Y1684 L1685 | Y1628-G1681 PolarHBondContact OH-N 3.07Å; F1677-G1681 WeakPolarHBondContact O-CA 3.25Å; F1677-G1681 PolarHBondContact O-N 3.33Å; G1681-S1683 PolarHBondContact O-N 3.3Å; G1681-Y1684 PolarHBondContact O-N 3.19Å; G1681-L1685 PolarHBondContact O-N 3.37Å |
| 1682 | L | 50.3 | Low | 54.4 | Low | 11 Ų | 11 | 60.1 Ų | 60.1 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.8 | 176.7 | -88.1 | 168.6 | 0 | 0 | 0 | 113.3 | I1678 Y1684 L1685 R1690 F1731 | I1678-L1682 HydrophobicContact CG2-CD1 3.47Å; I1678-L1682 VanDerWaalsContact CG2-CD1 3.47Å; I1678-L1682 HydrophobicContact CG2-CG 4.34Å; I1678-L1682 VanDerWaalsContact O-CB 3.27Å; I1678-L1682 WeakPolarHBondContact O-CB 3.4Å; I1678-L1682 WeakPolarHBondContact O-CD1 3.49Å; I1678-L1682 WeakPolarHBondContact O-CG 3.28Å; I1678-L1682 PolarHBondContact O-N 3.27Å; L1682-Y1684 PolarHBondContact O-N 2.7Å; L1682-L1685 HydrophobicContact CD2-CD1 3.95Å; L1682-L1685 HydrophobicContact CG-CD1 4.44Å; L1682-R1690 HydrophobicContact CD2-CG 3.76Å; L1682-R1690 PolarHBondContact O-NH2 3.46Å; L1682-F1731 HydrophobicContact CD1-CD2 3.49Å; L1682-F1731 VanDerWaalsContact CD1-CD2 3.49Å; L1682-F1731 HydrophobicContact CD1-CE2 3.71Å |
| 1683 | S | 52.1 | Low | 54.2 | Low | 59 Ų | 59 | 56 Ų | 56 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.5 | 174.5 | 66.6 | 0 | 0 | 0 | 0 | 113.5 | R1680 G1681 | R1680-S1683 PolarHBondContact O-OG 2.93Å; G1681-S1683 PolarHBondContact O-N 3.3Å |
| 1684 | Y | 53.4 | Low | 54.2 | Low | 177 Ų | 177 | 56.1 Ų | 56.1 | 69% | 0.694 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -1.5 | -174.7 | -68.9 | -79.6 | 0 | 0 | 0 | 114.9 | L1636 G1681 L1682 | L1636-Y1684 HydrophobicContact CD2-CD2 4.07Å; L1636-Y1684 HydrophobicContact CD2-CG 4.46Å; G1681-Y1684 PolarHBondContact O-N 3.19Å; L1682-Y1684 PolarHBondContact O-N 2.7Å |
| 1685 | L | 53.6 | Low | 54.5 | Low | 19 Ų | 19 | 60.8 Ų | 60.8 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | trans | -81.2 | 138.6 | -179.8 | -67.7 | 166.9 | 0 | 0 | 0 | 111.7 | V1640 G1681 L1682 T1689 | V1640-L1685 HydrophobicContact CB-CD2 3.55Å; V1640-L1685 HydrophobicContact CG1-CD1 3.75Å; V1640-L1685 HydrophobicContact CG1-CD2 3.34Å; V1640-L1685 HydrophobicContact CG1-CG 4.11Å; V1640-L1685 HydrophobicContact CG2-CD2 4.05Å; G1681-L1685 PolarHBondContact O-N 3.37Å; L1682-L1685 HydrophobicContact CD2-CD1 3.95Å; L1682-L1685 HydrophobicContact CG-CD1 4.44Å; L1685-T1689 HydrophobicContact CD2-CG2 4.04Å | ||
| 1686 | G | 59.2 | Low | 54.8 | Low | 45 Ų | 45 | 60.6 Ų | 60.6 | 46% | 0.464 | 31% | 0.309 | S | S | . | . | trans | -65.8 | 155.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D1688 T1689 R1690 | G1686-D1688 VanDerWaalsContact C-N 3.28Å; G1686-D1688 PolarHBondContact O-N 2.8Å; G1686-T1689 PolarHBondContact O-N 3.07Å; G1686-T1689 VanDerWaalsContact O-N 3.08Å; G1686-T1689 PolarHBondContact O-OG1 3.29Å; G1686-T1689 VanDerWaalsContact O-OG1 3.13Å; G1686-R1690 PolarHBondContact O-N 2.83Å | ||
| 1687 | D | 59 | Low | 55.3 | Low | 116 Ų | 116 | 56.6 Ų | 56.6 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.6 | -36.9 | -173.6 | -73.5 | -38.2 | 0 | 0 | 0 | 112.8 | T1689 R1690 Q1691 | D1687-T1689 VanDerWaalsContact C-N 3.34Å; D1687-T1689 PolarHBondContact O-N 3.24Å; D1687-R1690 WeakPolarHBondContact O-CB 2.99Å; D1687-R1690 PolarHBondContact O-N 3.33Å; D1687-R1690 IonicContact OD1-NH1 3.17Å; D1687-R1690 PolarHBondContact OD1-NH1 3.25Å; D1687-R1690 VanDerWaalsContact OD1-NH1 3.13Å; D1687-Q1691 WeakPolarHBondContact O-CB 3.45Å; D1687-Q1691 PolarHBondContact O-N 3.44Å |
| 1688 | D | 55.9 | Low | 55.8 | Low | 130 Ų | 130 | 57.8 Ų | 57.8 | 70% | 0.695 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 175.5 | -64.4 | -21.7 | 0 | 0 | 0 | 112.4 | G1686 Q1691 V1692 | G1686-D1688 VanDerWaalsContact C-N 3.28Å; G1686-D1688 PolarHBondContact O-N 2.8Å; D1688-Q1691 PolarHBondContact O-N 3.35Å; D1688-V1692 WeakPolarHBondContact O-CG2 3.3Å; D1688-V1692 PolarHBondContact O-N 2.78Å; D1688-V1692 VanDerWaalsContact O-N 3.08Å |
| 1689 | T | 53.7 | Low | 56.2 | Low | 29 Ų | 29 | 60.4 Ų | 60.4 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.1 | -38.2 | -179.4 | -6.7 | 0 | 0 | 0 | 0 | 111.2 | C1641 L1685 G1686 D1687 Q1691 F1693 | C1641-T1689 HydrophobicContact CB-CG2 4.5Å; C1641-T1689 WeakPolarHBondContact SG-CG2 3.25Å; L1685-T1689 HydrophobicContact CD2-CG2 4.04Å; G1686-T1689 PolarHBondContact O-N 3.07Å; G1686-T1689 VanDerWaalsContact O-N 3.08Å; G1686-T1689 PolarHBondContact O-OG1 3.29Å; G1686-T1689 VanDerWaalsContact O-OG1 3.13Å; D1687-T1689 VanDerWaalsContact C-N 3.34Å; D1687-T1689 PolarHBondContact O-N 3.24Å; T1689-Q1691 VanDerWaalsContact C-N 3.29Å; T1689-F1693 VanDerWaalsContact O-CB 3.3Å; T1689-F1693 WeakPolarHBondContact O-CB 3.31Å; T1689-F1693 PolarHBondContact O-N 3.28Å; T1689-F1693 VanDerWaalsContact O-N 3.11Å |
| 1690 | R | 56.1 | Low | 56.8 | Low | 45 Ų | 45 | 58 Ų | 58 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 173.9 | -172.6 | -177.7 | -77.9 | 147.8 | -6 | 110.8 | L1682 G1686 D1687 F1693 L1694 | L1682-R1690 HydrophobicContact CD2-CG 3.76Å; L1682-R1690 PolarHBondContact O-NH2 3.46Å; G1686-R1690 PolarHBondContact O-N 2.83Å; D1687-R1690 WeakPolarHBondContact O-CB 2.99Å; D1687-R1690 PolarHBondContact O-N 3.33Å; D1687-R1690 IonicContact OD1-NH1 3.17Å; D1687-R1690 PolarHBondContact OD1-NH1 3.25Å; D1687-R1690 VanDerWaalsContact OD1-NH1 3.13Å; R1690-F1693 WeakPolarHBondContact O-CB 3.21Å; R1690-L1694 HydrophobicContact CG-CD1 4.11Å; R1690-L1694 WeakPolarHBondContact O-CD1 2.93Å; R1690-L1694 WeakPolarHBondContact O-CG 3.48Å; R1690-L1694 PolarHBondContact O-N 3.35Å |
| 1691 | Q | 60.3 | Low | 57.2 | Low | 104 Ų | 104 | 51.2 Ų | 51.2 | 49% | 0.486 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.6 | -46.1 | 179.9 | -155.1 | 179.7 | 21.4 | 0 | 0 | 112.7 | D1687 D1688 T1689 F1693 L1694 Q1695 | D1687-Q1691 WeakPolarHBondContact O-CB 3.45Å; D1687-Q1691 PolarHBondContact O-N 3.44Å; D1688-Q1691 PolarHBondContact O-N 3.35Å; T1689-Q1691 VanDerWaalsContact C-N 3.29Å; Q1691-F1693 VanDerWaalsContact C-N 3.26Å; Q1691-F1693 PolarHBondContact O-N 2.91Å; Q1691-L1694 PolarHBondContact O-N 3.02Å; Q1691-Q1695 WeakPolarHBondContact O-CG 3.19Å; Q1691-Q1695 PolarHBondContact O-N 2.94Å |
| 1692 | V | 57.3 | Low | 57.6 | Low | 56 Ų | 56 | 53.4 Ų | 53.4 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 174.1 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | C1644 D1688 L1694 Q1695 T1696 | C1644-V1692 HydrophobicContact CB-CG1 4.06Å; D1688-V1692 WeakPolarHBondContact O-CG2 3.3Å; D1688-V1692 PolarHBondContact O-N 2.78Å; D1688-V1692 VanDerWaalsContact O-N 3.08Å; V1692-L1694 PolarHBondContact O-N 2.9Å; V1692-Q1695 PolarHBondContact O-N 3.45Å; V1692-T1696 PolarHBondContact O-N 3.22Å; V1692-T1696 VanDerWaalsContact O-N 3.08Å; V1692-T1696 PolarHBondContact O-OG1 2.85Å |
| 1693 | F | 58.3 | Low | 58.1 | Low | 21 Ų | 21 | 54.8 Ų | 54.8 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 178.2 | -174.8 | -97.1 | 0 | 0 | 0 | 112.6 | I1678 T1689 R1690 Q1691 T1696 F1697 | I1678-F1693 HydrophobicContact CD1-CE1 3.85Å; I1678-F1693 HydrophobicContact CD1-CZ 3.39Å; I1678-F1693 HydrophobicContact CG1-CE1 3.81Å; I1678-F1693 HydrophobicContact CG1-CE2 4.27Å; I1678-F1693 HydrophobicContact CG1-CZ 3.28Å; I1678-F1693 HydrophobicContact CG2-CE1 4.45Å; T1689-F1693 VanDerWaalsContact O-CB 3.3Å; T1689-F1693 WeakPolarHBondContact O-CB 3.31Å; T1689-F1693 PolarHBondContact O-N 3.28Å; T1689-F1693 VanDerWaalsContact O-N 3.11Å; R1690-F1693 WeakPolarHBondContact O-CB 3.21Å; Q1691-F1693 VanDerWaalsContact C-N 3.26Å; Q1691-F1693 PolarHBondContact O-N 2.91Å; F1693-T1696 WeakPolarHBondContact O-CB 3.21Å; F1693-T1696 PolarHBondContact O-N 3.12Å; F1693-F1697 AromaticContact CD1-CD2 3.96Å; F1693-F1697 HydrophobicContact CD1-CD2 3.96Å; F1693-F1697 HydrophobicContact CD1-CE2 4.23Å; F1693-F1697 AromaticContact CE1-CD2 3.46Å; F1693-F1697 HydrophobicContact CE1-CD2 3.46Å; F1693-F1697 VanDerWaalsContact CE1-CD2 3.46Å; F1693-F1697 AromaticContact CE1-CE2 3.37Å; F1693-F1697 HydrophobicContact CE1-CE2 3.37Å; F1693-F1697 HydrophobicContact CE1-CZ 4.4Å; F1693-F1697 HydrophobicContact CE2-CD2 4.27Å; F1693-F1697 AromaticContact CE2-CE2 3.72Å; F1693-F1697 HydrophobicContact CE2-CE2 3.72Å; F1693-F1697 AromaticContact CZ-CD2 3.64Å; F1693-F1697 HydrophobicContact CZ-CD2 3.64Å; F1693-F1697 AromaticContact CZ-CE2 3.05Å; F1693-F1697 HydrophobicContact CZ-CE2 3.05Å; F1693-F1697 HydrophobicContact CZ-CZ 4.01Å; F1693-F1697 WeakPolarHBondContact O-CD2 3.44Å; F1693-F1697 PolarHBondContact O-N 3.4Å; F1693-F1697 VanDerWaalsContact O-N 3.17Å |
| 1694 | L | 59.7 | Low | 58.5 | Low | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 178.5 | -72.3 | 164.4 | 0 | 0 | 0 | 112.5 | R1690 Q1691 V1692 T1696 F1697 D1698 V1734 | R1690-L1694 HydrophobicContact CG-CD1 4.11Å; R1690-L1694 WeakPolarHBondContact O-CD1 2.93Å; R1690-L1694 WeakPolarHBondContact O-CG 3.48Å; R1690-L1694 PolarHBondContact O-N 3.35Å; Q1691-L1694 PolarHBondContact O-N 3.02Å; V1692-L1694 PolarHBondContact O-N 2.9Å; L1694-T1696 VanDerWaalsContact C-N 3.31Å; L1694-T1696 PolarHBondContact O-N 2.84Å; L1694-F1697 WeakPolarHBondContact O-CB 3.23Å; L1694-F1697 PolarHBondContact O-N 3.45Å; L1694-D1698 PolarHBondContact O-N 3.25Å; L1694-V1734 HydrophobicContact CD1-CB 3.47Å; L1694-V1734 VanDerWaalsContact CD1-CB 3.47Å; L1694-V1734 HydrophobicContact CD1-CG1 3.11Å; L1694-V1734 HydrophobicContact CD1-CG2 4.48Å; L1694-V1734 HydrophobicContact CD2-CB 4.36Å |
| 1695 | Q | 60.2 | Low | 58.7 | Low | 107 Ų | 107 | 45.8 Ų | 45.8 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 173.3 | -75.9 | 177.6 | -8.8 | 0 | 0 | 111.1 | Q1691 V1692 F1697 D1698 I1699 | Q1691-Q1695 WeakPolarHBondContact O-CG 3.19Å; Q1691-Q1695 PolarHBondContact O-N 2.94Å; V1692-Q1695 PolarHBondContact O-N 3.45Å; Q1695-F1697 PolarHBondContact O-N 3Å; Q1695-D1698 PolarHBondContact O-N 3.4Å; Q1695-I1699 WeakPolarHBondContact O-CB 3.5Å; Q1695-I1699 WeakPolarHBondContact O-CD1 3.49Å; Q1695-I1699 WeakPolarHBondContact O-CG1 3.32Å; Q1695-I1699 PolarHBondContact O-N 3.39Å |
| 1696 | T | 57.5 | Low | 59.1 | Low | 6 Ų | 6 | 50 Ų | 50 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 175.7 | -47 | 0 | 0 | 0 | 0 | 112.3 | G1647 N1648 F1671 V1692 F1693 L1694 L1700 | G1647-T1696 WeakPolarHBondContact O-CG2 3.36Å; N1648-T1696 PolarHBondContact OD1-OG1 3.46Å; F1671-T1696 HydrophobicContact CE1-CG2 4.43Å; V1692-T1696 PolarHBondContact O-N 3.22Å; V1692-T1696 VanDerWaalsContact O-N 3.08Å; V1692-T1696 PolarHBondContact O-OG1 2.85Å; F1693-T1696 WeakPolarHBondContact O-CB 3.21Å; F1693-T1696 PolarHBondContact O-N 3.12Å; L1694-T1696 VanDerWaalsContact C-N 3.31Å; L1694-T1696 PolarHBondContact O-N 2.84Å; T1696-L1700 PolarHBondContact O-N 3.36Å |
| 1697 | F | 61.9 | Low | 59.4 | Low | 9 Ų | 9 | 48.5 Ų | 48.5 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.7 | -46.3 | 177.6 | -95.8 | -79.6 | 0 | 0 | 0 | 113.5 | F1671 I1678 F1693 L1694 Q1695 I1699 L1700 I1701 I1723 | F1671-F1697 HydrophobicContact CD1-CZ 4.19Å; I1678-F1697 HydrophobicContact CD1-CE2 3.85Å; I1678-F1697 HydrophobicContact CD1-CZ 3.58Å; F1693-F1697 AromaticContact CD1-CD2 3.96Å; F1693-F1697 HydrophobicContact CD1-CD2 3.96Å; F1693-F1697 HydrophobicContact CD1-CE2 4.23Å; F1693-F1697 AromaticContact CE1-CD2 3.46Å; F1693-F1697 HydrophobicContact CE1-CD2 3.46Å; F1693-F1697 VanDerWaalsContact CE1-CD2 3.46Å; F1693-F1697 AromaticContact CE1-CE2 3.37Å; F1693-F1697 HydrophobicContact CE1-CE2 3.37Å; F1693-F1697 HydrophobicContact CE1-CZ 4.4Å; F1693-F1697 HydrophobicContact CE2-CD2 4.27Å; F1693-F1697 AromaticContact CE2-CE2 3.72Å; F1693-F1697 HydrophobicContact CE2-CE2 3.72Å; F1693-F1697 AromaticContact CZ-CD2 3.64Å; F1693-F1697 HydrophobicContact CZ-CD2 3.64Å; F1693-F1697 AromaticContact CZ-CE2 3.05Å; F1693-F1697 HydrophobicContact CZ-CE2 3.05Å; F1693-F1697 HydrophobicContact CZ-CZ 4.01Å; F1693-F1697 WeakPolarHBondContact O-CD2 3.44Å; F1693-F1697 PolarHBondContact O-N 3.4Å; F1693-F1697 VanDerWaalsContact O-N 3.17Å; L1694-F1697 WeakPolarHBondContact O-CB 3.23Å; L1694-F1697 PolarHBondContact O-N 3.45Å; Q1695-F1697 PolarHBondContact O-N 3Å; F1697-I1699 PolarHBondContact O-N 2.67Å; F1697-L1700 WeakPolarHBondContact O-CB 3.37Å; F1697-L1700 PolarHBondContact O-N 3.34Å; F1697-L1700 VanDerWaalsContact O-N 3.15Å; F1697-I1701 WeakPolarHBondContact O-CG1 3.46Å; F1697-I1701 PolarHBondContact O-N 3.08Å; F1697-I1723 HydrophobicContact CD1-CD1 4.07Å; F1697-I1723 HydrophobicContact CE1-CD1 3.39Å; F1697-I1723 HydrophobicContact CE1-CG1 4.49Å; F1697-I1723 HydrophobicContact CZ-CD1 4.27Å |
| 1698 | D | 60 | Low | 59.7 | Low | 42 Ų | 42 | 49 Ų | 49 | 23% | 0.225 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 174.9 | -74.5 | -21.3 | 0 | 0 | 0 | 110.2 | L1694 Q1695 I1701 A1702 | L1694-D1698 PolarHBondContact O-N 3.25Å; Q1695-D1698 PolarHBondContact O-N 3.4Å; D1698-I1701 PolarHBondContact O-N 2.72Å; D1698-A1702 VanDerWaalsContact O-CB 3.28Å; D1698-A1702 WeakPolarHBondContact O-CB 3.35Å; D1698-A1702 PolarHBondContact O-N 2.8Å |
| 1699 | I | 60.1 | Low | 60.2 | Low | 62 Ų | 62 | 43.9 Ų | 43.9 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65 | -43.7 | 176.1 | -75.5 | 172.8 | 0 | 0 | 0 | 112.4 | F1651 Q1695 F1697 N1703 | F1651-I1699 HydrophobicContact CB-CG2 4.39Å; F1651-I1699 HydrophobicContact CD1-CG2 3.82Å; F1651-I1699 HydrophobicContact CD2-CB 4.49Å; F1651-I1699 HydrophobicContact CD2-CG2 3.09Å; F1651-I1699 HydrophobicContact CE1-CG2 3.68Å; F1651-I1699 HydrophobicContact CE2-CB 4.29Å; F1651-I1699 HydrophobicContact CE2-CG2 2.91Å; F1651-I1699 HydrophobicContact CG-CG2 3.49Å; F1651-I1699 VanDerWaalsContact CG-CG2 3.49Å; F1651-I1699 HydrophobicContact CZ-CG2 3.19Å; Q1695-I1699 WeakPolarHBondContact O-CB 3.5Å; Q1695-I1699 WeakPolarHBondContact O-CD1 3.49Å; Q1695-I1699 WeakPolarHBondContact O-CG1 3.32Å; Q1695-I1699 PolarHBondContact O-N 3.39Å; F1697-I1699 PolarHBondContact O-N 2.67Å; I1699-N1703 PolarHBondContact O-N 2.96Å |
| 1700 | L | 60.6 | Low | 60.8 | Low | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.7 | -50.3 | 174.8 | -174.3 | 94.1 | 0 | 0 | 0 | 110.1 | L1654 L1668 F1671 T1696 F1697 N1703 I1704 | L1654-L1700 HydrophobicContact CD1-CD1 3.85Å; L1668-L1700 HydrophobicContact CD2-CD1 4.17Å; F1671-L1700 HydrophobicContact CD2-CD1 3.84Å; F1671-L1700 HydrophobicContact CE1-CD1 4.42Å; F1671-L1700 HydrophobicContact CE2-CD1 3.53Å; F1671-L1700 HydrophobicContact CG-CD1 4.4Å; F1671-L1700 HydrophobicContact CZ-CD1 3.86Å; T1696-L1700 PolarHBondContact O-N 3.36Å; F1697-L1700 WeakPolarHBondContact O-CB 3.37Å; F1697-L1700 PolarHBondContact O-N 3.34Å; F1697-L1700 VanDerWaalsContact O-N 3.15Å; L1700-N1703 PolarHBondContact O-N 2.95Å; L1700-N1703 VanDerWaalsContact O-N 3.15Å; L1700-I1704 VanDerWaalsContact O-CG1 3.26Å; L1700-I1704 WeakPolarHBondContact O-CG1 3.43Å; L1700-I1704 PolarHBondContact O-N 3.24Å; L1700-I1704 VanDerWaalsContact O-N 3.17Å |
| 1701 | I | 59.6 | Low | 61.3 | Low | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | -176.2 | -67.8 | 176.1 | 0 | 0 | 0 | 111.2 | F1697 D1698 N1703 I1704 L1741 A1744 | F1697-I1701 WeakPolarHBondContact O-CG1 3.46Å; F1697-I1701 PolarHBondContact O-N 3.08Å; D1698-I1701 PolarHBondContact O-N 2.72Å; I1701-N1703 PolarHBondContact O-N 2.93Å; I1701-N1703 VanDerWaalsContact O-N 3.11Å; I1701-I1704 HydrophobicContact CG1-CD1 4.29Å; I1701-I1704 PolarHBondContact O-N 3.47Å; I1701-L1741 HydrophobicContact CD1-CD1 3.25Å; I1701-L1741 HydrophobicContact CD1-CG 3.96Å; I1701-L1741 HydrophobicContact CG2-CD1 4.45Å; I1701-L1741 HydrophobicContact CG2-CG 4.33Å; I1701-A1744 HydrophobicContact CG2-CB 3.97Å |
| 1702 | A | 61.3 | Low | 61.7 | Low | 48 Ų | 48 | 42.6 Ų | 42.6 | 40% | 0.397 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.4 | -23.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D1698 | D1698-A1702 VanDerWaalsContact O-CB 3.28Å; D1698-A1702 WeakPolarHBondContact O-CB 3.35Å; D1698-A1702 PolarHBondContact O-N 2.8Å |
| 1703 | N | 61.1 | Low | 62.1 | Low | 40 Ų | 40 | 42.5 Ų | 42.5 | 21% | 0.214 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -110.2 | 1.3 | -177.9 | -80.2 | -42.3 | 0 | 0 | 0 | 115.3 | F1651 Q1655 I1699 L1700 I1701 T1705 N1706 | F1651-N1703 HydrophobicContact CE2-CB 4.24Å; F1651-N1703 WeakPolarHBondContact CE2-ND2 3.42Å; F1651-N1703 WeakPolarHBondContact CZ-ND2 3.4Å; Q1655-N1703 PolarHBondContact NE2-ND2 3.26Å; Q1655-N1703 VanDerWaalsContact NE2-ND2 3.16Å; I1699-N1703 PolarHBondContact O-N 2.96Å; L1700-N1703 PolarHBondContact O-N 2.95Å; L1700-N1703 VanDerWaalsContact O-N 3.15Å; I1701-N1703 PolarHBondContact O-N 2.93Å; I1701-N1703 VanDerWaalsContact O-N 3.11Å; N1703-T1705 PolarHBondContact O-N 3.44Å; N1703-N1706 PolarHBondContact O-N 3.14Å; N1703-N1706 PolarHBondContact OD1-ND2 3.19Å |
| 1704 | I | 59.3 | Low | 62.5 | Low | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -59.6 | -36 | 177.6 | -59.4 | 177 | 0 | 0 | 0 | 111.2 | L1700 I1701 N1706 L1707 S1716 V1720 L1748 | L1700-I1704 VanDerWaalsContact O-CG1 3.26Å; L1700-I1704 WeakPolarHBondContact O-CG1 3.43Å; L1700-I1704 PolarHBondContact O-N 3.24Å; L1700-I1704 VanDerWaalsContact O-N 3.17Å; I1701-I1704 HydrophobicContact CG1-CD1 4.29Å; I1701-I1704 PolarHBondContact O-N 3.47Å; I1704-N1706 PolarHBondContact O-N 3.23Å; I1704-L1707 HydrophobicContact CG2-CD1 4.16Å; I1704-L1707 PolarHBondContact O-N 3.04Å; I1704-S1716 WeakPolarHBondContact CG2-OG 3.14Å; I1704-V1720 HydrophobicContact CD1-CG2 3.47Å; I1704-V1720 VanDerWaalsContact CD1-CG2 3.47Å; I1704-L1748 HydrophobicContact CB-CD1 3.86Å; I1704-L1748 HydrophobicContact CD1-CD1 4.45Å; I1704-L1748 HydrophobicContact CG2-CD1 3.35Å; I1704-L1748 HydrophobicContact CG2-CD2 3.76Å; I1704-L1748 HydrophobicContact CG2-CG 4.06Å |
| 1705 | T | 57.2 | Low | 62.8 | Low | 44 Ų | 44 | 48.4 Ų | 48.4 | 27% | 0.27 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -67.3 | -19.1 | 178.8 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | N1703 K1747 | N1703-T1705 PolarHBondContact O-N 3.44Å; T1705-K1747 HydrophobicContact CG2-CB 3.84Å; T1705-K1747 HydrophobicContact CG2-CD 4.14Å |
| 1706 | N | 63.2 | Low | 63.1 | Low | 107 Ų | 107 | 43.4 Ų | 43.4 | 57% | 0.572 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -93.9 | 9.5 | -178.5 | -65.2 | -21.3 | 0 | 0 | 0 | 113.2 | N1703 I1704 | N1703-N1706 PolarHBondContact O-N 3.14Å; N1703-N1706 PolarHBondContact OD1-ND2 3.19Å; I1704-N1706 PolarHBondContact O-N 3.23Å |
| 1707 | L | 65.8 | Low | 63.5 | Low | 14 Ų | 14 | 43.2 Ų | 43.2 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | trans | -82.9 | 119.8 | 178.9 | -64.7 | 168.6 | 0 | 0 | 0 | 111.1 | L1654 L1668 I1704 S1709 L1712 R1713 | L1654-L1707 HydrophobicContact CD2-CD2 4.08Å; L1668-L1707 HydrophobicContact CD1-CD1 4.26Å; I1704-L1707 HydrophobicContact CG2-CD1 4.16Å; I1704-L1707 PolarHBondContact O-N 3.04Å; L1707-S1709 VanDerWaalsContact C-N 3.31Å; L1707-S1709 PolarHBondContact O-N 2.95Å; L1707-L1712 HydrophobicContact CB-CB 4.11Å; L1707-L1712 HydrophobicContact CD1-CB 4.13Å; L1707-L1712 HydrophobicContact CD2-CD1 4.24Å; L1707-L1712 HydrophobicContact CG-CB 4.5Å; L1707-R1713 HydrophobicContact CB-CG 3.94Å; L1707-R1713 VanDerWaalsContact O-CD 3.28Å; L1707-R1713 WeakPolarHBondContact O-CD 3.46Å; L1707-R1713 PolarHBondContact O-NE 3.17Å | ||
| 1708 | D | 63.6 | Low | 63.6 | Low | 126 Ų | 126 | 46.3 Ų | 46.3 | 67% | 0.674 | 25% | 0.246 | S | C | * | . | trans | -62.6 | -33 | -173.9 | -52.8 | -49.8 | 0 | 0 | 0 | 113.6 | K1664 R1713 | K1664-D1708 IonicContact NZ-OD2 3.89Å; D1708-R1713 PolarHBondContact O-NH2 3.46Å | ||
| 1709 | S | 67.9 | Low | 63.8 | Low | 23 Ų | 23 | 44.3 Ų | 44.3 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | trans | -96.9 | 139.4 | -170.9 | 139.4 | 0 | 0 | 0 | 0 | 113.5 | L1661 L1707 K1711 L1712 R1713 | L1661-S1709 VanDerWaalsContact CD1-CB 3.47Å; L1661-S1709 WeakPolarHBondContact CD1-OG 3.3Å; L1707-S1709 VanDerWaalsContact C-N 3.31Å; L1707-S1709 PolarHBondContact O-N 2.95Å; S1709-K1711 VanDerWaalsContact C-N 3.27Å; S1709-K1711 PolarHBondContact O-N 3.37Å; S1709-K1711 WeakPolarHBondContact OG-CB 3.37Å; S1709-K1711 PolarHBondContact OG-N 2.92Å; S1709-K1711 VanDerWaalsContact OG-N 3.13Å; S1709-L1712 PolarHBondContact O-N 3.31Å; S1709-L1712 PolarHBondContact OG-N 3.43Å; S1709-L1712 VanDerWaalsContact OG-N 3.14Å; S1709-R1713 WeakPolarHBondContact O-CG 3.49Å; S1709-R1713 PolarHBondContact O-N 3.22Å; S1709-R1713 VanDerWaalsContact O-N 3.12Å; S1709-R1713 PolarHBondContact O-NE 2.86Å | ||
| 1710 | S | 65.9 | Low | 64.1 | Low | 77 Ų | 77 | 41.6 Ų | 41.6 | 54% | 0.538 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.7 | -33.5 | 173.3 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | R1713 K1714 | S1710-R1713 PolarHBondContact O-N 2.97Å; S1710-K1714 PolarHBondContact O-N 2.77Å |
| 1711 | K | 66.6 | Low | 64.1 | Low | 71 Ų | 71 | 41.9 Ų | 41.9 | 31% | 0.309 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 176.6 | -165.9 | 176.6 | -170.2 | 174.6 | 0 | 111.4 | D1502 E1505 S1709 R1713 K1714 L1715 | D1502-K1711 IonicContact OD2-NZ 2.72Å; D1502-K1711 PolarHBondContact OD2-NZ 2.93Å; E1505-K1711 WeakPolarHBondContact OE1-CE 3.14Å; E1505-K1711 IonicContact OE1-NZ 3Å; E1505-K1711 PolarHBondContact OE1-NZ 3.31Å; S1709-K1711 VanDerWaalsContact C-N 3.27Å; S1709-K1711 PolarHBondContact O-N 3.37Å; S1709-K1711 WeakPolarHBondContact OG-CB 3.37Å; S1709-K1711 PolarHBondContact OG-N 2.92Å; S1709-K1711 VanDerWaalsContact OG-N 3.13Å; K1711-R1713 VanDerWaalsContact C-N 3.35Å; K1711-K1714 PolarHBondContact O-N 3.38Å; K1711-L1715 WeakPolarHBondContact O-CB 3.43Å; K1711-L1715 PolarHBondContact O-N 2.91Å; K1711-L1715 VanDerWaalsContact O-N 3.08Å |
| 1712 | L | 69.4 | Low | 64.2 | Low | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.1 | -67.5 | 172.3 | 0 | 0 | 0 | 111 | L1661 K1664 C1665 L1668 L1707 S1709 L1715 S1716 | L1661-L1712 HydrophobicContact CD1-CD1 3.53Å; L1661-L1712 HydrophobicContact CD1-CD2 3.85Å; L1661-L1712 HydrophobicContact CD1-CG 3.39Å; K1664-L1712 HydrophobicContact CB-CD1 3.8Å; K1664-L1712 HydrophobicContact CB-CD2 3.56Å; K1664-L1712 HydrophobicContact CB-CG 4.35Å; K1664-L1712 HydrophobicContact CD-CD1 3.82Å; K1664-L1712 HydrophobicContact CG-CD1 4.45Å; C1665-L1712 HydrophobicContact CB-CD2 4.36Å; C1665-L1712 VanDerWaalsContact SG-CD2 3.58Å; L1668-L1712 HydrophobicContact CD1-CB 4.01Å; L1668-L1712 HydrophobicContact CD1-CD2 3.63Å; L1668-L1712 HydrophobicContact CD1-CG 4.42Å; L1668-L1712 WeakPolarHBondContact CD1-O 3.44Å; L1707-L1712 HydrophobicContact CB-CB 4.11Å; L1707-L1712 HydrophobicContact CD1-CB 4.13Å; L1707-L1712 HydrophobicContact CD2-CD1 4.24Å; L1707-L1712 HydrophobicContact CG-CB 4.5Å; S1709-L1712 PolarHBondContact O-N 3.31Å; S1709-L1712 PolarHBondContact OG-N 3.43Å; S1709-L1712 VanDerWaalsContact OG-N 3.14Å; L1712-L1715 PolarHBondContact O-N 3.33Å; L1712-S1716 WeakPolarHBondContact O-CB 3.37Å; L1712-S1716 PolarHBondContact O-N 2.87Å; L1712-S1716 PolarHBondContact O-OG 3.45Å |
| 1713 | R | 65.5 | Low | 64.1 | Low | 55 Ų | 55 | 43 Ų | 43 | 21% | 0.208 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.7 | -40.5 | 179.4 | -70.9 | 179.6 | -71.5 | 172.8 | -19.5 | 112.8 | L1707 D1708 S1709 S1710 K1711 S1716 C1717 L1748 H1752 | L1707-R1713 HydrophobicContact CB-CG 3.94Å; L1707-R1713 VanDerWaalsContact O-CD 3.28Å; L1707-R1713 WeakPolarHBondContact O-CD 3.46Å; L1707-R1713 PolarHBondContact O-NE 3.17Å; D1708-R1713 PolarHBondContact O-NH2 3.46Å; S1709-R1713 WeakPolarHBondContact O-CG 3.49Å; S1709-R1713 PolarHBondContact O-N 3.22Å; S1709-R1713 VanDerWaalsContact O-N 3.12Å; S1709-R1713 PolarHBondContact O-NE 2.86Å; S1710-R1713 PolarHBondContact O-N 2.97Å; K1711-R1713 VanDerWaalsContact C-N 3.35Å; R1713-S1716 WeakPolarHBondContact CA-OG 3.19Å; R1713-S1716 PolarHBondContact O-OG 2.77Å; R1713-C1717 WeakPolarHBondContact O-CB 3.19Å; R1713-C1717 PolarHBondContact O-N 3.5Å; R1713-C1717 PolarHBondContact O-SG 3.01Å; R1713-L1748 HydrophobicContact CB-CD2 4.4Å; R1713-H1752 WeakPolarHBondContact CD-NE2 3.39Å; R1713-H1752 PolarHBondContact NE-NE2 3.03Å; R1713-H1752 PolarHBondContact NH1-CE1 3.23Å; R1713-H1752 VanDerWaalsContact NH1-CE1 3.28Å; R1713-H1752 PolarHBondContact NH1-NE2 3.47Å |
| 1714 | K | 66.1 | Low | 64 | Low | 142 Ų | 142 | 41.6 Ų | 41.6 | 62% | 0.617 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.2 | -44.6 | 172.3 | -86.1 | -173.6 | 173.7 | -177.5 | 0 | 112.4 | S1710 K1711 C1717 Q1718 | S1710-K1714 PolarHBondContact O-N 2.77Å; K1711-K1714 PolarHBondContact O-N 3.38Å; K1714-C1717 WeakPolarHBondContact O-CB 3.44Å; K1714-C1717 PolarHBondContact O-N 3.22Å; K1714-Q1718 WeakPolarHBondContact O-CG 3.04Å; K1714-Q1718 PolarHBondContact O-N 3.46Å |
| 1715 | L | 65.9 | Low | 63.9 | Low | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.8 | -41.3 | -178.6 | -172 | 70.8 | 0 | 0 | 0 | 111.6 | L1668 Q1669 K1711 L1712 Q1718 I1719 | L1668-L1715 HydrophobicContact CB-CD2 3.49Å; L1668-L1715 VanDerWaalsContact CB-CD2 3.49Å; L1668-L1715 HydrophobicContact CB-CG 4.18Å; L1668-L1715 HydrophobicContact CD1-CD2 4.33Å; Q1669-L1715 HydrophobicContact CG-CD1 4.16Å; Q1669-L1715 HydrophobicContact CG-CD2 3.63Å; Q1669-L1715 HydrophobicContact CG-CG 4.47Å; K1711-L1715 WeakPolarHBondContact O-CB 3.43Å; K1711-L1715 PolarHBondContact O-N 2.91Å; K1711-L1715 VanDerWaalsContact O-N 3.08Å; L1712-L1715 PolarHBondContact O-N 3.33Å; L1715-Q1718 PolarHBondContact O-N 3.46Å; L1715-I1719 HydrophobicContact CG-CD1 4.22Å; L1715-I1719 WeakPolarHBondContact O-CD1 3.49Å; L1715-I1719 VanDerWaalsContact O-CG1 3.26Å; L1715-I1719 WeakPolarHBondContact O-CG1 3.4Å; L1715-I1719 PolarHBondContact O-N 3.45Å |
| 1716 | S | 67 | Low | 63.8 | Low | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 173.4 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | I1704 L1712 R1713 Q1718 I1719 V1720 | I1704-S1716 WeakPolarHBondContact CG2-OG 3.14Å; L1712-S1716 WeakPolarHBondContact O-CB 3.37Å; L1712-S1716 PolarHBondContact O-N 2.87Å; L1712-S1716 PolarHBondContact O-OG 3.45Å; R1713-S1716 WeakPolarHBondContact CA-OG 3.19Å; R1713-S1716 PolarHBondContact O-OG 2.77Å; S1716-Q1718 PolarHBondContact O-N 2.99Å; S1716-I1719 PolarHBondContact O-N 3.43Å; S1716-V1720 WeakPolarHBondContact O-CG2 3.49Å; S1716-V1720 PolarHBondContact O-N 3.21Å |
| 1717 | C | 64.9 | Low | 63.2 | Low | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.3 | -49.7 | 170.7 | -76.1 | 0 | 0 | 0 | 0 | 111.6 | R1713 K1714 I1719 V1720 Q1721 L1748 L1757 | R1713-C1717 WeakPolarHBondContact O-CB 3.19Å; R1713-C1717 PolarHBondContact O-N 3.5Å; R1713-C1717 PolarHBondContact O-SG 3.01Å; K1714-C1717 WeakPolarHBondContact O-CB 3.44Å; K1714-C1717 PolarHBondContact O-N 3.22Å; C1717-I1719 VanDerWaalsContact C-N 3.31Å; C1717-I1719 PolarHBondContact O-N 2.89Å; C1717-V1720 PolarHBondContact O-N 3.13Å; C1717-Q1721 WeakPolarHBondContact O-CB 3.28Å; C1717-Q1721 PolarHBondContact O-N 3.49Å; C1717-L1748 WeakPolarHBondContact SG-CD2 3.2Å; C1717-L1757 HydrophobicContact CB-CD1 4.38Å; C1717-L1757 HydrophobicContact CB-CD2 4.12Å |
| 1718 | Q | 64.1 | Low | 62.5 | Low | 73 Ų | 73 | 46.4 Ų | 46.4 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 178 | -72.5 | -179.7 | -4.1 | 0 | 0 | 112.7 | K1714 L1715 S1716 N1722 | K1714-Q1718 WeakPolarHBondContact O-CG 3.04Å; K1714-Q1718 PolarHBondContact O-N 3.46Å; L1715-Q1718 PolarHBondContact O-N 3.46Å; S1716-Q1718 PolarHBondContact O-N 2.99Å; Q1718-N1722 WeakPolarHBondContact O-CB 3.33Å; Q1718-N1722 VanDerWaalsContact O-CG 3.23Å; Q1718-N1722 PolarHBondContact O-N 3.22Å; Q1718-N1722 PolarHBondContact O-ND2 3.26Å |
| 1719 | I | 65.1 | Low | 61.9 | Low | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -49.5 | 177.1 | -68.7 | 157.3 | 0 | 0 | 0 | 110.1 | L1668 F1671 R1672 N1675 L1715 S1716 C1717 Q1721 N1722 I1723 | L1668-I1719 HydrophobicContact CB-CD1 3.89Å; L1668-I1719 HydrophobicContact CD2-CD1 4.39Å; L1668-I1719 WeakPolarHBondContact O-CD1 3.41Å; F1671-I1719 HydrophobicContact CB-CD1 4.45Å; F1671-I1719 HydrophobicContact CB-CG2 4.21Å; R1672-I1719 HydrophobicContact CB-CD1 4.38Å; R1672-I1719 HydrophobicContact CB-CG1 3.8Å; R1672-I1719 HydrophobicContact CG-CG1 4.3Å; N1675-I1719 PolarHBondContact ND2-O 2.93Å; L1715-I1719 HydrophobicContact CG-CD1 4.22Å; L1715-I1719 WeakPolarHBondContact O-CD1 3.49Å; L1715-I1719 VanDerWaalsContact O-CG1 3.26Å; L1715-I1719 WeakPolarHBondContact O-CG1 3.4Å; L1715-I1719 PolarHBondContact O-N 3.45Å; S1716-I1719 PolarHBondContact O-N 3.43Å; C1717-I1719 VanDerWaalsContact C-N 3.31Å; C1717-I1719 PolarHBondContact O-N 2.89Å; I1719-Q1721 VanDerWaalsContact C-N 3.32Å; I1719-Q1721 PolarHBondContact O-N 3.22Å; I1719-N1722 PolarHBondContact O-N 3.41Å; I1719-I1723 HydrophobicContact CG2-CD1 3.78Å; I1719-I1723 WeakPolarHBondContact O-CD1 3.42Å; I1719-I1723 VanDerWaalsContact O-CG1 3.26Å; I1719-I1723 WeakPolarHBondContact O-CG1 3.38Å; I1719-I1723 PolarHBondContact O-N 3.36Å |
| 1720 | V | 65.2 | Low | 60.9 | Low | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.7 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | I1704 S1716 C1717 N1722 I1723 L1724 L1745 | I1704-V1720 HydrophobicContact CD1-CG2 3.47Å; I1704-V1720 VanDerWaalsContact CD1-CG2 3.47Å; S1716-V1720 WeakPolarHBondContact O-CG2 3.49Å; S1716-V1720 PolarHBondContact O-N 3.21Å; C1717-V1720 PolarHBondContact O-N 3.13Å; V1720-N1722 VanDerWaalsContact C-N 3.35Å; V1720-N1722 PolarHBondContact O-N 3.41Å; V1720-I1723 WeakPolarHBondContact O-CB 3.48Å; V1720-I1723 PolarHBondContact O-N 3.42Å; V1720-I1723 VanDerWaalsContact O-N 3.11Å; V1720-L1724 HydrophobicContact CG1-CD1 3.9Å; V1720-L1724 HydrophobicContact CG1-CG 4.08Å; V1720-L1724 VanDerWaalsContact O-CG 3.26Å; V1720-L1724 WeakPolarHBondContact O-CG 2.94Å; V1720-L1724 PolarHBondContact O-N 3.3Å; V1720-L1745 HydrophobicContact CB-CD2 4.29Å; V1720-L1745 HydrophobicContact CG1-CD1 3.92Å; V1720-L1745 HydrophobicContact CG1-CD2 3.56Å; V1720-L1745 HydrophobicContact CG1-CG 4.19Å |
| 1721 | Q | 61.4 | Low | 60 | Low | 15 Ų | 15 | 44.8 Ų | 44.8 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 175.1 | -172.8 | -179.2 | 17.9 | 0 | 0 | 112.1 | C1717 I1719 I1723 L1724 M1725 L1756 L1757 H1760 | C1717-Q1721 WeakPolarHBondContact O-CB 3.28Å; C1717-Q1721 PolarHBondContact O-N 3.49Å; I1719-Q1721 VanDerWaalsContact C-N 3.32Å; I1719-Q1721 PolarHBondContact O-N 3.22Å; Q1721-I1723 VanDerWaalsContact C-N 3.3Å; Q1721-I1723 PolarHBondContact O-N 2.95Å; Q1721-L1724 PolarHBondContact O-N 3.34Å; Q1721-M1725 VanDerWaalsContact O-CG 3.26Å; Q1721-M1725 WeakPolarHBondContact O-CG 3.45Å; Q1721-M1725 PolarHBondContact O-N 3.17Å; Q1721-L1756 VanDerWaalsContact NE2-C 3.3Å; Q1721-L1756 PolarHBondContact NE2-O 3.15Å; Q1721-L1756 VanDerWaalsContact NE2-O 3.16Å; Q1721-L1757 HydrophobicContact CB-CD1 3.82Å; Q1721-L1757 HydrophobicContact CG-CD1 4.44Å; Q1721-H1760 HydrophobicContact CG-CB 4.07Å; Q1721-H1760 WeakPolarHBondContact CG-ND1 3.46Å; Q1721-H1760 PolarHBondContact NE2-CE1 3.44Å; Q1721-H1760 PolarHBondContact NE2-ND1 3.44Å |
| 1722 | N | 62.2 | Low | 59.1 | Low | 63 Ų | 63 | 43.3 Ų | 43.3 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.8 | -33.8 | 177.3 | -74 | -39.1 | 0 | 0 | 0 | 112.3 | N1675 Q1718 I1719 V1720 M1725 | N1675-N1722 WeakPolarHBondContact ND2-CB 3.35Å; Q1718-N1722 WeakPolarHBondContact O-CB 3.33Å; Q1718-N1722 VanDerWaalsContact O-CG 3.23Å; Q1718-N1722 PolarHBondContact O-N 3.22Å; Q1718-N1722 PolarHBondContact O-ND2 3.26Å; I1719-N1722 PolarHBondContact O-N 3.41Å; V1720-N1722 VanDerWaalsContact C-N 3.35Å; V1720-N1722 PolarHBondContact O-N 3.41Å; N1722-M1725 PolarHBondContact O-N 3.43Å |
| 1723 | I | 59.3 | Low | 58 | Low | 18 Ų | 18 | 52.9 Ų | 52.9 | 9% | 0.092 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.6 | -45.1 | 176.5 | -66.7 | 159 | 0 | 0 | 0 | 111.1 | N1675 F1697 I1719 V1720 Q1721 M1725 L1726 F1731 | N1675-I1723 WeakPolarHBondContact OD1-CG1 3.28Å; F1697-I1723 HydrophobicContact CD1-CD1 4.07Å; F1697-I1723 HydrophobicContact CE1-CD1 3.39Å; F1697-I1723 HydrophobicContact CE1-CG1 4.49Å; F1697-I1723 HydrophobicContact CZ-CD1 4.27Å; I1719-I1723 HydrophobicContact CG2-CD1 3.78Å; I1719-I1723 WeakPolarHBondContact O-CD1 3.42Å; I1719-I1723 VanDerWaalsContact O-CG1 3.26Å; I1719-I1723 WeakPolarHBondContact O-CG1 3.38Å; I1719-I1723 PolarHBondContact O-N 3.36Å; V1720-I1723 WeakPolarHBondContact O-CB 3.48Å; V1720-I1723 PolarHBondContact O-N 3.42Å; V1720-I1723 VanDerWaalsContact O-N 3.11Å; Q1721-I1723 VanDerWaalsContact C-N 3.3Å; Q1721-I1723 PolarHBondContact O-N 2.95Å; I1723-M1725 PolarHBondContact O-N 3.43Å; I1723-L1726 VanDerWaalsContact O-CB 3.31Å; I1723-L1726 WeakPolarHBondContact O-CB 3.42Å; I1723-L1726 PolarHBondContact O-N 3.05Å; I1723-F1731 HydrophobicContact CG2-CE1 3.73Å; I1723-F1731 HydrophobicContact CG2-CZ 4.03Å |
| 1724 | L | 57.9 | Low | 57 | Low | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.2 | -27.6 | 176.4 | -69 | 170 | 0 | 0 | 0 | 111.8 | V1720 Q1721 L1741 L1745 L1761 F1764 | V1720-L1724 HydrophobicContact CG1-CD1 3.9Å; V1720-L1724 HydrophobicContact CG1-CG 4.08Å; V1720-L1724 VanDerWaalsContact O-CG 3.26Å; V1720-L1724 WeakPolarHBondContact O-CG 2.94Å; V1720-L1724 PolarHBondContact O-N 3.3Å; Q1721-L1724 PolarHBondContact O-N 3.34Å; L1724-L1741 HydrophobicContact CD2-CD2 3.86Å; L1724-L1745 HydrophobicContact CD1-CD1 4.16Å; L1724-L1761 HydrophobicContact CD1-CD1 4.15Å; L1724-F1764 HydrophobicContact CB-CB 4.25Å; L1724-F1764 HydrophobicContact CB-CD2 4.26Å; L1724-F1764 HydrophobicContact CB-CG 4.4Å; L1724-F1764 HydrophobicContact CD2-CB 3.94Å; L1724-F1764 HydrophobicContact CD2-CD1 3.58Å; L1724-F1764 HydrophobicContact CD2-CD2 3.51Å; L1724-F1764 HydrophobicContact CD2-CE1 3.85Å; L1724-F1764 HydrophobicContact CD2-CE2 3.79Å; L1724-F1764 HydrophobicContact CD2-CG 3.4Å; L1724-F1764 VanDerWaalsContact CD2-CG 3.4Å; L1724-F1764 HydrophobicContact CD2-CZ 3.94Å; L1724-F1764 HydrophobicContact CG-CD2 4.5Å; L1724-F1764 HydrophobicContact CG-CG 4.44Å |
| 1725 | M | 58.3 | Low | 56.1 | Low | 75 Ų | 75 | 46.4 Ų | 46.4 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -11.6 | 175.9 | -71.8 | -67.8 | -75.5 | 0 | 0 | 114.2 | Q1721 N1722 I1723 N1727 H1760 | Q1721-M1725 VanDerWaalsContact O-CG 3.26Å; Q1721-M1725 WeakPolarHBondContact O-CG 3.45Å; Q1721-M1725 PolarHBondContact O-N 3.17Å; N1722-M1725 PolarHBondContact O-N 3.43Å; I1723-M1725 PolarHBondContact O-N 3.43Å; M1725-N1727 PolarHBondContact O-N 3.4Å; M1725-H1760 WeakPolarHBondContact CG-ND1 3.29Å; M1725-H1760 HydrophobicContact SD-CB 4.47Å |
| 1726 | L | 55 | Low | 55.2 | Low | 39 Ų | 39 | 53.1 Ų | 53.1 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | trans | -70.1 | 104.2 | 177.6 | -61.2 | -178.2 | 0 | 0 | 0 | 110 | I1678 V1679 I1723 D1728 | I1678-L1726 HydrophobicContact CG2-CD1 4.09Å; V1679-L1726 HydrophobicContact CG2-CB 4.44Å; V1679-L1726 HydrophobicContact CG2-CD1 3.61Å; V1679-L1726 HydrophobicContact CG2-CD2 3.12Å; V1679-L1726 HydrophobicContact CG2-CG 3.86Å; I1723-L1726 VanDerWaalsContact O-CB 3.31Å; I1723-L1726 WeakPolarHBondContact O-CB 3.42Å; I1723-L1726 PolarHBondContact O-N 3.05Å; L1726-D1728 PolarHBondContact O-N 3.45Å; L1726-D1728 VanDerWaalsContact O-N 3.08Å | ||
| 1727 | N | 49.9 | Very low | 54.2 | Low | 108 Ų | 108 | 54.1 Ų | 54.1 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | trans | -73.1 | 11.2 | -179.4 | -77.9 | -27.6 | 0 | 0 | 0 | 114.5 | M1725 S1729 K1767 | M1725-N1727 PolarHBondContact O-N 3.4Å; N1727-S1729 PolarHBondContact O-N 3.3Å; N1727-S1729 VanDerWaalsContact O-N 3.14Å; N1727-K1767 PolarHBondContact OD1-NZ 3.1Å | ||
| 1728 | D | 51.6 | Low | 53.4 | Low | 47 Ų | 47 | 56.6 Ų | 56.6 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | trans | -71.1 | 115.1 | -177.7 | -163.3 | -30 | 0 | 0 | 0 | 110.5 | L1726 K1730 F1731 Q1732 | L1726-D1728 PolarHBondContact O-N 3.45Å; L1726-D1728 VanDerWaalsContact O-N 3.08Å; D1728-K1730 PolarHBondContact O-N 3.38Å; D1728-K1730 WeakPolarHBondContact OD1-CB 3.46Å; D1728-K1730 PolarHBondContact OD1-N 3.49Å; D1728-F1731 WeakPolarHBondContact O-CB 3.5Å; D1728-F1731 PolarHBondContact O-N 2.84Å; D1728-Q1732 PolarHBondContact O-N 2.82Å | ||
| 1729 | S | 50.1 | Low | 52.9 | Low | 66 Ų | 66 | 56.1 Ų | 56.1 | 46% | 0.462 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -49.2 | -27.4 | 174.3 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | N1727 Q1732 | N1727-S1729 PolarHBondContact O-N 3.3Å; N1727-S1729 VanDerWaalsContact O-N 3.14Å; S1729-Q1732 WeakPolarHBondContact O-CB 3.38Å; S1729-Q1732 PolarHBondContact O-N 3.48Å |
| 1730 | K | 47.9 | Very low | 52.4 | Low | 102 Ų | 102 | 60.3 Ų | 60.3 | 44% | 0.443 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.7 | -36.9 | 176.4 | -69.9 | -179.6 | 179.3 | 176.7 | 0 | 112.1 | D1728 Q1732 R1733 V1734 | D1728-K1730 PolarHBondContact O-N 3.38Å; D1728-K1730 WeakPolarHBondContact OD1-CB 3.46Å; D1728-K1730 PolarHBondContact OD1-N 3.49Å; K1730-Q1732 VanDerWaalsContact C-N 3.27Å; K1730-Q1732 PolarHBondContact O-N 2.97Å; K1730-R1733 PolarHBondContact O-N 3.49Å; K1730-V1734 WeakPolarHBondContact O-CG2 3.3Å |
| 1731 | F | 47.2 | Very low | 51.8 | Low | 24 Ų | 24 | 60.7 Ų | 60.7 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -33.7 | 174.6 | -142.3 | -89.2 | 0 | 0 | 0 | 111.2 | I1678 L1682 I1723 D1728 R1733 V1734 T1735 | I1678-F1731 HydrophobicContact CG2-CD2 3.87Å; I1678-F1731 HydrophobicContact CG2-CE2 3.39Å; I1678-F1731 HydrophobicContact CG2-CZ 4.35Å; L1682-F1731 HydrophobicContact CD1-CD2 3.49Å; L1682-F1731 VanDerWaalsContact CD1-CD2 3.49Å; L1682-F1731 HydrophobicContact CD1-CE2 3.71Å; I1723-F1731 HydrophobicContact CG2-CE1 3.73Å; I1723-F1731 HydrophobicContact CG2-CZ 4.03Å; D1728-F1731 WeakPolarHBondContact O-CB 3.5Å; D1728-F1731 PolarHBondContact O-N 2.84Å; F1731-R1733 PolarHBondContact O-N 3.25Å; F1731-R1733 VanDerWaalsContact O-N 3.15Å; F1731-V1734 PolarHBondContact O-N 2.78Å; F1731-T1735 HydrophobicContact CD1-CG2 4.41Å; F1731-T1735 HydrophobicContact CE1-CG2 4.09Å |
| 1732 | Q | 46.9 | Very low | 51.6 | Low | 39 Ų | 39 | 60.4 Ų | 60.4 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.6 | -26.5 | 177.9 | -66 | 179.8 | -13 | 0 | 0 | 113.1 | D1728 S1729 K1730 K1768 H1771 | D1728-Q1732 PolarHBondContact O-N 2.82Å; S1729-Q1732 WeakPolarHBondContact O-CB 3.38Å; S1729-Q1732 PolarHBondContact O-N 3.48Å; K1730-Q1732 VanDerWaalsContact C-N 3.27Å; K1730-Q1732 PolarHBondContact O-N 2.97Å; Q1732-K1768 WeakPolarHBondContact O-CE 3.43Å; Q1732-K1768 PolarHBondContact O-NZ 3.3Å; Q1732-H1771 PolarHBondContact OE1-CD2 2.77Å; Q1732-H1771 PolarHBondContact OE1-CE1 3.2Å; Q1732-H1771 VanDerWaalsContact OE1-CE1 3.28Å; Q1732-H1771 PolarHBondContact OE1-ND1 2.88Å; Q1732-H1771 PolarHBondContact OE1-NE2 3Å |
| 1733 | R | 46.1 | Very low | 51.6 | Low | 204 Ų | 204 | 59.7 Ų | 59.7 | 77% | 0.77 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -84.2 | -22.9 | -179.4 | -72.7 | -172.2 | -179.4 | -177.5 | 0.2 | 115 | K1730 F1731 | K1730-R1733 PolarHBondContact O-N 3.49Å; F1731-R1733 PolarHBondContact O-N 3.25Å; F1731-R1733 VanDerWaalsContact O-N 3.15Å |
| 1734 | V | 44.2 | Very low | 51.6 | Low | 42 Ų | 42 | 59.1 Ų | 59.1 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -116.9 | -5 | -160.5 | -138.6 | 0 | 0 | 0 | 0 | 117.4 | L1694 K1730 F1731 Q1736 | L1694-V1734 HydrophobicContact CD1-CB 3.47Å; L1694-V1734 VanDerWaalsContact CD1-CB 3.47Å; L1694-V1734 HydrophobicContact CD1-CG1 3.11Å; L1694-V1734 HydrophobicContact CD1-CG2 4.48Å; L1694-V1734 HydrophobicContact CD2-CB 4.36Å; K1730-V1734 WeakPolarHBondContact O-CG2 3.3Å; F1731-V1734 PolarHBondContact O-N 2.78Å; V1734-Q1736 PolarHBondContact O-N 3.01Å |
| 1735 | T | 47.6 | Very low | 51.7 | Low | 20 Ų | 20 | 58.7 Ų | 58.7 | 12% | 0.123 | 29% | 0.292 | C | S | . | . | trans | -69.5 | 96.9 | 162.4 | 54.2 | 0 | 0 | 0 | 0 | 108.1 | F1731 S1737 L1741 | F1731-T1735 HydrophobicContact CD1-CG2 4.41Å; F1731-T1735 HydrophobicContact CE1-CG2 4.09Å; T1735-S1737 PolarHBondContact O-N 3.36Å; T1735-S1737 VanDerWaalsContact O-N 3.13Å; T1735-L1741 HydrophobicContact CG2-CD1 4.49Å | ||
| 1736 | Q | 46.9 | Very low | 52 | Low | 160 Ų | 160 | 55.9 Ų | 55.9 | 75% | 0.748 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -67.4 | -10.5 | -170.8 | -75.8 | -168.7 | -18.5 | 0 | 0 | 113.9 | V1734 | V1734-Q1736 PolarHBondContact O-N 3.01Š|
| 1737 | S | 47 | Very low | 52.3 | Low | 21 Ų | 21 | 57 Ų | 57 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | trans | -137.6 | 98.7 | 171 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | T1735 Y1739 I1740 | T1735-S1737 PolarHBondContact O-N 3.36Å; T1735-S1737 VanDerWaalsContact O-N 3.13Å; S1737-Y1739 PolarHBondContact O-N 3.08Å; S1737-I1740 WeakPolarHBondContact OG-CB 3.08Å; S1737-I1740 VanDerWaalsContact OG-CD1 3.25Å; S1737-I1740 WeakPolarHBondContact OG-CD1 3.24Å; S1737-I1740 WeakPolarHBondContact OG-CG1 3.43Å | ||
| 1738 | P | 48.3 | Very low | 52.7 | Low | 55 Ų | 55 | 52 Ų | 52 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.7 | -30.3 | 167.8 | -14.8 | 24.7 | 0 | 0 | 0 | 111.3 | L1741 L1742 | P1738-L1741 WeakPolarHBondContact O-CB 3.29Å; P1738-L1742 VanDerWaalsContact O-CB 3.26Å; P1738-L1742 WeakPolarHBondContact O-CB 3.4Å; P1738-L1742 PolarHBondContact O-N 2.89Å |
| 1739 | Y | 53.3 | Low | 53 | Low | 63 Ų | 63 | 50 Ų | 50 | 25% | 0.247 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.1 | -41.9 | -173.1 | -60 | -53.2 | 0 | 0 | 0 | 114.5 | S1737 L1741 L1742 D1743 D1798 E1801 I1805 | S1737-Y1739 PolarHBondContact O-N 3.08Å; Y1739-L1741 VanDerWaalsContact C-N 3.3Å; Y1739-L1741 PolarHBondContact O-N 3.23Å; Y1739-L1742 PolarHBondContact O-N 3.36Å; Y1739-D1743 WeakPolarHBondContact O-CB 3.42Å; Y1739-D1743 PolarHBondContact O-N 2.94Å; Y1739-D1798 WeakPolarHBondContact OH-CA 3.4Å; Y1739-D1798 VanDerWaalsContact OH-CB 3.24Å; Y1739-D1798 WeakPolarHBondContact OH-CB 3.45Å; Y1739-D1798 PolarHBondContact OH-OD1 3.42Å; Y1739-E1801 HydrophobicContact CD1-CG 4.1Å; Y1739-E1801 HydrophobicContact CE1-CB 3.87Å; Y1739-E1801 HydrophobicContact CE1-CG 3.69Å; Y1739-E1801 HydrophobicContact CE2-CG 4.26Å; Y1739-E1801 HydrophobicContact CG-CG 4.5Å; Y1739-I1805 HydrophobicContact CD1-CD1 3.13Å; Y1739-I1805 HydrophobicContact CE1-CD1 4Å; Y1739-I1805 HydrophobicContact CG-CD1 3.63Å |
| 1740 | I | 53.1 | Low | 53.4 | Low | 88 Ų | 88 | 47.4 Ų | 47.4 | 45% | 0.451 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65 | -41.6 | 174.8 | -59.5 | -178.2 | 0 | 0 | 0 | 109.7 | S1737 L1742 A1744 | S1737-I1740 WeakPolarHBondContact OG-CB 3.08Å; S1737-I1740 VanDerWaalsContact OG-CD1 3.25Å; S1737-I1740 WeakPolarHBondContact OG-CD1 3.24Å; S1737-I1740 WeakPolarHBondContact OG-CG1 3.43Å; I1740-L1742 VanDerWaalsContact C-N 3.33Å; I1740-L1742 PolarHBondContact O-N 3.47Å; I1740-A1744 PolarHBondContact O-N 3.21Å; I1740-A1744 VanDerWaalsContact O-N 3.15Å |
| 1741 | L | 52.9 | Low | 53.8 | Low | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.073 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.8 | -143.6 | 112.8 | 0 | 0 | 0 | 111 | I1701 L1724 T1735 P1738 Y1739 L1745 F1764 | I1701-L1741 HydrophobicContact CD1-CD1 3.25Å; I1701-L1741 HydrophobicContact CD1-CG 3.96Å; I1701-L1741 HydrophobicContact CG2-CD1 4.45Å; I1701-L1741 HydrophobicContact CG2-CG 4.33Å; L1724-L1741 HydrophobicContact CD2-CD2 3.86Å; T1735-L1741 HydrophobicContact CG2-CD1 4.49Å; P1738-L1741 WeakPolarHBondContact O-CB 3.29Å; Y1739-L1741 VanDerWaalsContact C-N 3.3Å; Y1739-L1741 PolarHBondContact O-N 3.23Å; L1741-L1745 HydrophobicContact CD2-CD1 3.57Å; L1741-L1745 HydrophobicContact CG-CD1 3.98Å; L1741-L1745 WeakPolarHBondContact O-CB 3.41Å; L1741-L1745 VanDerWaalsContact O-CD1 3.28Å; L1741-L1745 WeakPolarHBondContact O-CD1 3.33Å; L1741-L1745 VanDerWaalsContact O-CG 3.23Å; L1741-L1745 WeakPolarHBondContact O-CG 3.45Å; L1741-L1745 PolarHBondContact O-N 2.96Å; L1741-F1764 HydrophobicContact CD2-CE1 4.36Å |
| 1742 | L | 58.7 | Low | 54.1 | Low | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.4 | -45.3 | -178.1 | -165.1 | 72.9 | 0 | 0 | 0 | 112 | P1738 Y1739 I1740 L1745 I1746 L1765 L1802 I1805 | P1738-L1742 VanDerWaalsContact O-CB 3.26Å; P1738-L1742 WeakPolarHBondContact O-CB 3.4Å; P1738-L1742 PolarHBondContact O-N 2.89Å; Y1739-L1742 PolarHBondContact O-N 3.36Å; I1740-L1742 VanDerWaalsContact C-N 3.33Å; I1740-L1742 PolarHBondContact O-N 3.47Å; L1742-L1745 PolarHBondContact O-N 2.96Å; L1742-I1746 HydrophobicContact CD1-CD1 4.21Å; L1742-I1746 HydrophobicContact CD2-CD1 4.19Å; L1742-I1746 HydrophobicContact CG-CD1 3.67Å; L1742-I1746 HydrophobicContact CG-CG1 4.34Å; L1742-I1746 WeakPolarHBondContact O-CB 3.36Å; L1742-I1746 WeakPolarHBondContact O-CG1 3.33Å; L1742-I1746 PolarHBondContact O-N 2.81Å; L1742-L1765 HydrophobicContact CD1-CD1 4.03Å; L1742-L1765 HydrophobicContact CD1-CD2 3.91Å; L1742-L1765 HydrophobicContact CD1-CG 4.39Å; L1742-L1802 HydrophobicContact CD2-CD1 3.38Å; L1742-L1802 HydrophobicContact CD2-CG 3.72Å; L1742-I1805 HydrophobicContact CB-CG2 4.43Å; L1742-I1805 HydrophobicContact CD2-CB 4.38Å; L1742-I1805 HydrophobicContact CD2-CG2 4.02Å; L1742-I1805 HydrophobicContact CG-CG2 4.34Å |
| 1743 | D | 61 | Low | 54.4 | Low | 49 Ų | 49 | 48.5 Ų | 48.5 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.9 | -51.4 | 177.8 | -176.6 | 76.3 | 0 | 0 | 0 | 111.6 | Y1739 L1745 I1746 K1747 I1805 N1809 | Y1739-D1743 WeakPolarHBondContact O-CB 3.42Å; Y1739-D1743 PolarHBondContact O-N 2.94Å; D1743-L1745 PolarHBondContact O-N 2.95Å; D1743-I1746 PolarHBondContact O-N 2.89Å; D1743-K1747 WeakPolarHBondContact O-CG 3.35Å; D1743-K1747 PolarHBondContact O-N 3.44Å; D1743-K1747 IonicContact OD1-NZ 3.1Å; D1743-K1747 IonicContact OD2-NZ 3.96Å; D1743-K1747 PolarHBondContact OD2-NZ 3.01Å; D1743-I1805 HydrophobicContact CB-CG2 4.14Å; D1743-N1809 VanDerWaalsContact OD1-CG 3.25Å; D1743-N1809 PolarHBondContact OD1-ND2 3.38Å; D1743-N1809 PolarHBondContact OD1-OD1 3.14Å |
| 1744 | A | 59.4 | Low | 54.9 | Low | 6 Ų | 6 | 41.2 Ų | 41.2 | 5% | 0.05 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1701 I1740 K1747 L1748 | I1701-A1744 HydrophobicContact CG2-CB 3.97Å; I1740-A1744 PolarHBondContact O-N 3.21Å; I1740-A1744 VanDerWaalsContact O-N 3.15Å; A1744-K1747 PolarHBondContact O-N 2.9Å; A1744-L1748 WeakPolarHBondContact O-CD1 3.5Å; A1744-L1748 PolarHBondContact O-N 3.4Å |
| 1745 | L | 60.8 | Low | 55.5 | Low | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -40.5 | -179.7 | -80 | 161.2 | 0 | 0 | 0 | 112.7 | V1720 L1724 L1741 L1742 D1743 L1748 L1749 L1757 L1761 | V1720-L1745 HydrophobicContact CB-CD2 4.29Å; V1720-L1745 HydrophobicContact CG1-CD1 3.92Å; V1720-L1745 HydrophobicContact CG1-CD2 3.56Å; V1720-L1745 HydrophobicContact CG1-CG 4.19Å; L1724-L1745 HydrophobicContact CD1-CD1 4.16Å; L1741-L1745 HydrophobicContact CD2-CD1 3.57Å; L1741-L1745 HydrophobicContact CG-CD1 3.98Å; L1741-L1745 WeakPolarHBondContact O-CB 3.41Å; L1741-L1745 VanDerWaalsContact O-CD1 3.28Å; L1741-L1745 WeakPolarHBondContact O-CD1 3.33Å; L1741-L1745 VanDerWaalsContact O-CG 3.23Å; L1741-L1745 WeakPolarHBondContact O-CG 3.45Å; L1741-L1745 PolarHBondContact O-N 2.96Å; L1742-L1745 PolarHBondContact O-N 2.96Å; D1743-L1745 PolarHBondContact O-N 2.95Å; L1745-L1748 WeakPolarHBondContact O-CB 3.48Å; L1745-L1748 PolarHBondContact O-N 3.42Å; L1745-L1749 WeakPolarHBondContact O-CB 3.46Å; L1745-L1749 PolarHBondContact O-N 3.24Å; L1745-L1757 HydrophobicContact CD2-CD1 4.26Å; L1745-L1757 HydrophobicContact CD2-CD2 4.32Å; L1745-L1761 HydrophobicContact CB-CD1 3.7Å; L1745-L1761 HydrophobicContact CD1-CD1 3.41Å; L1745-L1761 VanDerWaalsContact CD1-CD1 3.41Å; L1745-L1761 HydrophobicContact CD2-CD1 4.3Å; L1745-L1761 HydrophobicContact CG-CD1 3.98Å |
| 1746 | I | 63.7 | Low | 55.8 | Low | 15 Ų | 15 | 47.8 Ų | 47.8 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.8 | -68.6 | 169.3 | 0 | 0 | 0 | 110.2 | L1742 D1743 L1748 L1749 L1750 I1805 I1806 N1809 | L1742-I1746 HydrophobicContact CD1-CD1 4.21Å; L1742-I1746 HydrophobicContact CD2-CD1 4.19Å; L1742-I1746 HydrophobicContact CG-CD1 3.67Å; L1742-I1746 HydrophobicContact CG-CG1 4.34Å; L1742-I1746 WeakPolarHBondContact O-CB 3.36Å; L1742-I1746 WeakPolarHBondContact O-CG1 3.33Å; L1742-I1746 PolarHBondContact O-N 2.81Å; D1743-I1746 PolarHBondContact O-N 2.89Å; I1746-L1748 VanDerWaalsContact C-N 3.33Å; I1746-L1748 PolarHBondContact O-N 3.48Å; I1746-L1749 PolarHBondContact O-N 2.98Å; I1746-L1750 HydrophobicContact CG2-CD1 3.6Å; I1746-L1750 HydrophobicContact CG2-CG 4.2Å; I1746-L1750 WeakPolarHBondContact O-CB 3.39Å; I1746-L1750 VanDerWaalsContact O-CG 3.32Å; I1746-L1750 WeakPolarHBondContact O-CG 3.31Å; I1746-L1750 PolarHBondContact O-N 3.44Å; I1746-I1805 HydrophobicContact CD1-CG2 4.46Å; I1746-I1806 HydrophobicContact CD1-CB 4.12Å; I1746-I1806 HydrophobicContact CD1-CG1 3.42Å; I1746-I1806 VanDerWaalsContact CD1-CG1 3.42Å; I1746-N1809 HydrophobicContact CB-CB 4.32Å; I1746-N1809 HydrophobicContact CG2-CB 3.57Å |
| 1747 | K | 61.7 | Low | 56.3 | Low | 62 Ų | 62 | 40.2 Ų | 40.2 | 27% | 0.27 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 172.8 | -79.6 | 171.3 | 176.5 | 149.1 | 0 | 112 | T1705 D1743 A1744 L1750 L1751 N1809 | T1705-K1747 HydrophobicContact CG2-CB 3.84Å; T1705-K1747 HydrophobicContact CG2-CD 4.14Å; D1743-K1747 WeakPolarHBondContact O-CG 3.35Å; D1743-K1747 PolarHBondContact O-N 3.44Å; D1743-K1747 IonicContact OD1-NZ 3.1Å; D1743-K1747 IonicContact OD2-NZ 3.96Å; D1743-K1747 PolarHBondContact OD2-NZ 3.01Å; A1744-K1747 PolarHBondContact O-N 2.9Å; K1747-L1750 PolarHBondContact O-N 3.36Å; K1747-L1751 WeakPolarHBondContact O-CB 3.37Å; K1747-L1751 WeakPolarHBondContact O-CD1 3.5Å; K1747-L1751 VanDerWaalsContact O-CG 3.28Å; K1747-L1751 WeakPolarHBondContact O-CG 3.49Å; K1747-L1751 PolarHBondContact O-N 3.45Å; K1747-N1809 WeakPolarHBondContact CE-OD1 3.46Å; K1747-N1809 VanDerWaalsContact CG-OD1 3.29Å; K1747-N1809 WeakPolarHBondContact CG-OD1 3.38Å |
| 1748 | L | 57.9 | Low | 56.7 | Low | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 175.3 | -90.6 | 141.8 | 0 | 0 | 0 | 112.5 | I1704 R1713 C1717 A1744 L1745 I1746 L1751 H1752 | I1704-L1748 HydrophobicContact CB-CD1 3.86Å; I1704-L1748 HydrophobicContact CD1-CD1 4.45Å; I1704-L1748 HydrophobicContact CG2-CD1 3.35Å; I1704-L1748 HydrophobicContact CG2-CD2 3.76Å; I1704-L1748 HydrophobicContact CG2-CG 4.06Å; R1713-L1748 HydrophobicContact CB-CD2 4.4Å; C1717-L1748 WeakPolarHBondContact SG-CD2 3.2Å; A1744-L1748 WeakPolarHBondContact O-CD1 3.5Å; A1744-L1748 PolarHBondContact O-N 3.4Å; L1745-L1748 WeakPolarHBondContact O-CB 3.48Å; L1745-L1748 PolarHBondContact O-N 3.42Å; I1746-L1748 VanDerWaalsContact C-N 3.33Å; I1746-L1748 PolarHBondContact O-N 3.48Å; L1748-L1751 PolarHBondContact O-N 3.2Å; L1748-H1752 WeakPolarHBondContact O-CB 3.41Å; L1748-H1752 PolarHBondContact O-CD2 3.25Å; L1748-H1752 PolarHBondContact O-N 2.87Å |
| 1749 | L | 58.3 | Low | 57.3 | Low | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | -178.6 | -141 | 153.4 | 0 | 0 | 0 | 111.3 | L1745 I1746 G1753 Y1758 L1761 V1852 P1853 | L1745-L1749 WeakPolarHBondContact O-CB 3.46Å; L1745-L1749 PolarHBondContact O-N 3.24Å; I1746-L1749 PolarHBondContact O-N 2.98Å; L1749-G1753 WeakPolarHBondContact O-CA 3.33Å; L1749-G1753 PolarHBondContact O-N 3.38Å; L1749-Y1758 HydrophobicContact CD1-CD2 4.03Å; L1749-Y1758 HydrophobicContact CD1-CG 4.44Å; L1749-Y1758 HydrophobicContact CD2-CD2 4.01Å; L1749-Y1758 HydrophobicContact CD2-CG 4.48Å; L1749-L1761 HydrophobicContact CD1-CD2 4.02Å; L1749-V1852 HydrophobicContact CD2-CG1 4.28Å; L1749-P1853 HydrophobicContact CD2-CB 4.3Å; L1749-P1853 HydrophobicContact CD2-CG 3.69Å |
| 1750 | L | 58.3 | Low | 57.5 | Low | 10 Ų | 10 | 41.7 Ų | 41.7 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.7 | -33.7 | 174.8 | -71.4 | 166.6 | 0 | 0 | 0 | 112.2 | I1746 K1747 N1809 I1810 W1813 P1853 | I1746-L1750 HydrophobicContact CG2-CD1 3.6Å; I1746-L1750 HydrophobicContact CG2-CG 4.2Å; I1746-L1750 WeakPolarHBondContact O-CB 3.39Å; I1746-L1750 VanDerWaalsContact O-CG 3.32Å; I1746-L1750 WeakPolarHBondContact O-CG 3.31Å; I1746-L1750 PolarHBondContact O-N 3.44Å; K1747-L1750 PolarHBondContact O-N 3.36Å; L1750-N1809 HydrophobicContact CD1-CB 4.34Å; L1750-I1810 HydrophobicContact CD1-CG1 4.45Å; L1750-W1813 HydrophobicContact CB-CB 4.45Å; L1750-W1813 HydrophobicContact CB-CD2 4.01Å; L1750-W1813 HydrophobicContact CB-CG 3.81Å; L1750-W1813 HydrophobicContact CB-CZ2 4.38Å; L1750-W1813 HydrophobicContact CD1-CB 3.85Å; L1750-W1813 HydrophobicContact CD1-CG 4.08Å; L1750-W1813 HydrophobicContact CD2-CD2 3.99Å; L1750-W1813 HydrophobicContact CD2-CE3 4.05Å; L1750-W1813 HydrophobicContact CD2-CG 4.34Å; L1750-W1813 HydrophobicContact CD2-CZ2 4.44Å; L1750-W1813 HydrophobicContact CD2-CZ3 4.35Å; L1750-W1813 HydrophobicContact CG-CD2 4.42Å; L1750-W1813 HydrophobicContact CG-CG 4.31Å; L1750-W1813 WeakPolarHBondContact O-CZ2 3.29Å; L1750-W1813 PolarHBondContact O-NE1 3.01Å; L1750-P1853 HydrophobicContact CD2-CB 3.9Å; L1750-P1853 HydrophobicContact CD2-CG 3.69Å; L1750-P1853 HydrophobicContact CG-CG 4.33Å |
| 1751 | L | 56 | Low | 57.6 | Low | 87 Ų | 87 | 37.7 Ų | 37.7 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -77.7 | -31.7 | 177.6 | -77.5 | 164.4 | 0 | 0 | 0 | 113.7 | K1747 L1748 | K1747-L1751 WeakPolarHBondContact O-CB 3.37Å; K1747-L1751 WeakPolarHBondContact O-CD1 3.5Å; K1747-L1751 VanDerWaalsContact O-CG 3.28Å; K1747-L1751 WeakPolarHBondContact O-CG 3.49Å; K1747-L1751 PolarHBondContact O-N 3.45Å; L1748-L1751 PolarHBondContact O-N 3.2Å |
| 1752 | H | 53.6 | Low | 57.7 | Low | 63 Ų | 63 | 38.3 Ų | 38.3 | 29% | 0.292 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -124.3 | -16.8 | -167.6 | -65.2 | -62.4 | 0 | 0 | 0 | 116.8 | R1713 L1748 D1754 | R1713-H1752 WeakPolarHBondContact CD-NE2 3.39Å; R1713-H1752 PolarHBondContact NE-NE2 3.03Å; R1713-H1752 PolarHBondContact NH1-CE1 3.23Å; R1713-H1752 VanDerWaalsContact NH1-CE1 3.28Å; R1713-H1752 PolarHBondContact NH1-NE2 3.47Å; L1748-H1752 WeakPolarHBondContact O-CB 3.41Å; L1748-H1752 PolarHBondContact O-CD2 3.25Å; L1748-H1752 PolarHBondContact O-N 2.87Å; H1752-D1754 PolarHBondContact O-N 3.48Å |
| 1753 | G | 54.7 | Low | 57.6 | Low | 39 Ų | 39 | 42.1 Ų | 42.1 | 40% | 0.402 | 22% | 0.218 | S | C | . | . | trans | 67 | 25.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1749 M1755 | L1749-G1753 WeakPolarHBondContact O-CA 3.33Å; L1749-G1753 PolarHBondContact O-N 3.38Å; G1753-M1755 PolarHBondContact O-N 2.93Å | ||
| 1754 | D | 56.1 | Low | 57.4 | Low | 51 Ų | 51 | 41.8 Ų | 41.8 | 27% | 0.273 | 21% | 0.214 | S | C | . | . | trans | -76 | 105 | -178.7 | -164.6 | -26.7 | 0 | 0 | 0 | 112.1 | H1752 L1756 L1757 Y1758 | H1752-D1754 PolarHBondContact O-N 3.48Å; D1754-L1756 VanDerWaalsContact C-N 3.28Å; D1754-L1756 PolarHBondContact O-N 2.91Å; D1754-L1756 PolarHBondContact OD1-N 3.38Å; D1754-L1757 HydrophobicContact CB-CB 4.06Å; D1754-L1757 PolarHBondContact O-N 3Å; D1754-Y1758 PolarHBondContact O-N 3.48Å; D1754-Y1758 VanDerWaalsContact O-N 3.12Å | ||
| 1755 | M | 55.8 | Low | 57.1 | Low | 100 Ų | 100 | 42.8 Ų | 42.8 | 49% | 0.493 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.5 | -35.5 | 178 | -92.1 | -65.2 | -112.8 | 0 | 0 | 113.8 | G1753 Y1758 E1759 V1852 | G1753-M1755 PolarHBondContact O-N 2.93Å; M1755-Y1758 WeakPolarHBondContact O-CB 3.28Å; M1755-Y1758 PolarHBondContact O-N 3.09Å; M1755-Y1758 HydrophobicContact SD-CD1 4.33Å; M1755-E1759 PolarHBondContact O-N 3.41Å; M1755-V1852 HydrophobicContact CE-CG2 4.25Å; M1755-V1852 HydrophobicContact CG-CB 4.47Å; M1755-V1852 HydrophobicContact CG-CG1 4.13Å; M1755-V1852 HydrophobicContact CG-CG2 3.59Å; M1755-V1852 HydrophobicContact SD-CB 3.79Å; M1755-V1852 HydrophobicContact SD-CG1 3.16Å; M1755-V1852 WeakPolarHBondContact SD-CG1 3.38Å; M1755-V1852 HydrophobicContact SD-CG2 3.26Å; M1755-V1852 WeakPolarHBondContact SD-CG2 3.48Å |
| 1756 | L | 54.5 | Low | 56.7 | Low | 99 Ų | 99 | 49.8 Ų | 49.8 | 52% | 0.518 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -73.6 | -39.6 | -176.1 | -132.7 | 87.6 | 0 | 0 | 0 | 110.6 | Q1721 D1754 Y1758 E1759 H1760 | Q1721-L1756 VanDerWaalsContact NE2-C 3.3Å; Q1721-L1756 PolarHBondContact NE2-O 3.15Å; Q1721-L1756 VanDerWaalsContact NE2-O 3.16Å; D1754-L1756 VanDerWaalsContact C-N 3.28Å; D1754-L1756 PolarHBondContact O-N 2.91Å; D1754-L1756 PolarHBondContact OD1-N 3.38Å; L1756-Y1758 VanDerWaalsContact C-N 3.27Å; L1756-Y1758 PolarHBondContact O-N 2.91Å; L1756-E1759 PolarHBondContact O-N 2.99Å; L1756-H1760 PolarHBondContact O-N 3.43Å |
| 1757 | L | 56.9 | Low | 56 | Low | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 172.1 | -174.5 | 72.9 | 0 | 0 | 0 | 110.4 | C1717 Q1721 L1745 D1754 H1760 L1761 | C1717-L1757 HydrophobicContact CB-CD1 4.38Å; C1717-L1757 HydrophobicContact CB-CD2 4.12Å; Q1721-L1757 HydrophobicContact CB-CD1 3.82Å; Q1721-L1757 HydrophobicContact CG-CD1 4.44Å; L1745-L1757 HydrophobicContact CD2-CD1 4.26Å; L1745-L1757 HydrophobicContact CD2-CD2 4.32Å; D1754-L1757 HydrophobicContact CB-CB 4.06Å; D1754-L1757 PolarHBondContact O-N 3Å; L1757-H1760 PolarHBondContact O-N 2.97Å; L1757-L1761 VanDerWaalsContact O-CB 3.3Å; L1757-L1761 WeakPolarHBondContact O-CB 3.43Å; L1757-L1761 PolarHBondContact O-N 3.23Å |
| 1758 | Y | 56.4 | Low | 55.4 | Low | 15 Ų | 15 | 50.8 Ų | 50.8 | 6% | 0.059 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.3 | -52.2 | 176.5 | 170.9 | -93 | 0 | 0 | 0 | 112.9 | L1749 D1754 M1755 L1756 H1760 L1761 L1762 V1852 S1855 I1856 | L1749-Y1758 HydrophobicContact CD1-CD2 4.03Å; L1749-Y1758 HydrophobicContact CD1-CG 4.44Å; L1749-Y1758 HydrophobicContact CD2-CD2 4.01Å; L1749-Y1758 HydrophobicContact CD2-CG 4.48Å; D1754-Y1758 PolarHBondContact O-N 3.48Å; D1754-Y1758 VanDerWaalsContact O-N 3.12Å; M1755-Y1758 WeakPolarHBondContact O-CB 3.28Å; M1755-Y1758 PolarHBondContact O-N 3.09Å; M1755-Y1758 HydrophobicContact SD-CD1 4.33Å; L1756-Y1758 VanDerWaalsContact C-N 3.27Å; L1756-Y1758 PolarHBondContact O-N 2.91Å; Y1758-H1760 VanDerWaalsContact C-N 3.26Å; Y1758-H1760 PolarHBondContact O-N 3.33Å; Y1758-L1761 WeakPolarHBondContact O-CB 3.28Å; Y1758-L1761 PolarHBondContact O-N 3.37Å; Y1758-L1762 HydrophobicContact CD1-CD1 4.19Å; Y1758-L1762 HydrophobicContact CE1-CD1 3.4Å; Y1758-L1762 VanDerWaalsContact CE1-CD1 3.4Å; Y1758-L1762 HydrophobicContact CE2-CD1 3.89Å; Y1758-L1762 WeakPolarHBondContact O-CB 3.2Å; Y1758-L1762 PolarHBondContact O-N 3.19Å; Y1758-L1762 WeakPolarHBondContact OH-CD1 3.31Å; Y1758-V1852 HydrophobicContact CD1-CG1 3.77Å; Y1758-V1852 HydrophobicContact CD2-CG1 3.76Å; Y1758-V1852 HydrophobicContact CE1-CG1 4.3Å; Y1758-V1852 HydrophobicContact CE2-CG1 4.26Å; Y1758-V1852 WeakPolarHBondContact CE2-O 3.34Å; Y1758-V1852 HydrophobicContact CG-CG1 3.48Å; Y1758-V1852 VanDerWaalsContact CG-CG1 3.48Å; Y1758-S1855 WeakPolarHBondContact CE1-OG 3.49Å; Y1758-S1855 PolarHBondContact OH-OG 2.92Å; Y1758-I1856 HydrophobicContact CD2-CD1 4.33Å; Y1758-I1856 HydrophobicContact CE2-CB 4.43Å; Y1758-I1856 HydrophobicContact CE2-CD1 3.64Å; Y1758-I1856 HydrophobicContact CE2-CG1 3.55Å; Y1758-I1856 VanDerWaalsContact OH-CA 3.3Å; Y1758-I1856 WeakPolarHBondContact OH-CA 3.05Å; Y1758-I1856 WeakPolarHBondContact OH-CG1 3.28Å; Y1758-I1856 PolarHBondContact OH-N 2.89Å |
| 1759 | E | 60.5 | Low | 54.8 | Low | 118 Ų | 118 | 54.6 Ų | 54.6 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.8 | -40.8 | 179.3 | -76.9 | -162.5 | 160.3 | 0 | 0 | 111.7 | M1755 L1756 L1762 Q1763 | M1755-E1759 PolarHBondContact O-N 3.41Å; L1756-E1759 PolarHBondContact O-N 2.99Å; E1759-L1762 WeakPolarHBondContact O-CB 3.24Å; E1759-L1762 PolarHBondContact O-N 3.27Å; E1759-Q1763 WeakPolarHBondContact O-CB 3.32Å; E1759-Q1763 PolarHBondContact O-N 3.36Å |
| 1760 | H | 57.6 | Low | 54.1 | Low | 37 Ų | 37 | 61.9 Ų | 61.9 | 17% | 0.171 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.3 | -36.8 | 179.2 | -70.3 | -170.8 | 0 | 0 | 0 | 112.7 | Q1721 M1725 L1756 L1757 Y1758 L1762 Q1763 F1764 | Q1721-H1760 HydrophobicContact CG-CB 4.07Å; Q1721-H1760 WeakPolarHBondContact CG-ND1 3.46Å; Q1721-H1760 PolarHBondContact NE2-CE1 3.44Å; Q1721-H1760 PolarHBondContact NE2-ND1 3.44Å; M1725-H1760 WeakPolarHBondContact CG-ND1 3.29Å; M1725-H1760 HydrophobicContact SD-CB 4.47Å; L1756-H1760 PolarHBondContact O-N 3.43Å; L1757-H1760 PolarHBondContact O-N 2.97Å; Y1758-H1760 VanDerWaalsContact C-N 3.26Å; Y1758-H1760 PolarHBondContact O-N 3.33Å; H1760-L1762 VanDerWaalsContact C-N 3.3Å; H1760-L1762 PolarHBondContact O-N 3.05Å; H1760-Q1763 PolarHBondContact O-N 3.23Å; H1760-F1764 VanDerWaalsContact O-CB 3.31Å; H1760-F1764 WeakPolarHBondContact O-CB 3.42Å; H1760-F1764 PolarHBondContact O-N 3.44Å |
| 1761 | L | 55.3 | Low | 53.3 | Low | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 171 | -168 | 83 | 0 | 0 | 0 | 110.2 | L1724 L1745 L1749 L1757 Y1758 F1764 L1765 | L1724-L1761 HydrophobicContact CD1-CD1 4.15Å; L1745-L1761 HydrophobicContact CB-CD1 3.7Å; L1745-L1761 HydrophobicContact CD1-CD1 3.41Å; L1745-L1761 VanDerWaalsContact CD1-CD1 3.41Å; L1745-L1761 HydrophobicContact CD2-CD1 4.3Å; L1745-L1761 HydrophobicContact CG-CD1 3.98Å; L1749-L1761 HydrophobicContact CD1-CD2 4.02Å; L1757-L1761 VanDerWaalsContact O-CB 3.3Å; L1757-L1761 WeakPolarHBondContact O-CB 3.43Å; L1757-L1761 PolarHBondContact O-N 3.23Å; Y1758-L1761 WeakPolarHBondContact O-CB 3.28Å; Y1758-L1761 PolarHBondContact O-N 3.37Å; L1761-F1764 PolarHBondContact O-N 3.42Å; L1761-L1765 HydrophobicContact CD2-CD1 4.45Å; L1761-L1765 HydrophobicContact CG-CD1 4.23Å; L1761-L1765 WeakPolarHBondContact O-CB 3.46Å; L1761-L1765 VanDerWaalsContact O-CG 3.25Å; L1761-L1765 WeakPolarHBondContact O-CG 3.17Å; L1761-L1765 PolarHBondContact O-N 3.13Å |
| 1762 | L | 55.3 | Low | 52.5 | Low | 28 Ų | 28 | 62.9 Ų | 62.9 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176 | -124.3 | 152.2 | 0 | 0 | 0 | 111.8 | Y1758 E1759 H1760 R1766 I1856 | Y1758-L1762 HydrophobicContact CD1-CD1 4.19Å; Y1758-L1762 HydrophobicContact CE1-CD1 3.4Å; Y1758-L1762 VanDerWaalsContact CE1-CD1 3.4Å; Y1758-L1762 HydrophobicContact CE2-CD1 3.89Å; Y1758-L1762 WeakPolarHBondContact O-CB 3.2Å; Y1758-L1762 PolarHBondContact O-N 3.19Å; Y1758-L1762 WeakPolarHBondContact OH-CD1 3.31Å; E1759-L1762 WeakPolarHBondContact O-CB 3.24Å; E1759-L1762 PolarHBondContact O-N 3.27Å; H1760-L1762 VanDerWaalsContact C-N 3.3Å; H1760-L1762 PolarHBondContact O-N 3.05Å; L1762-R1766 HydrophobicContact CD2-CG 4.23Å; L1762-R1766 VanDerWaalsContact CD2-NE 3.27Å; L1762-R1766 WeakPolarHBondContact O-CB 3.48Å; L1762-R1766 WeakPolarHBondContact O-CG 3.42Å; L1762-R1766 PolarHBondContact O-N 3.35Å; L1762-I1856 HydrophobicContact CD1-CD1 4.28Å; L1762-I1856 HydrophobicContact CD1-CG1 3.46Å; L1762-I1856 VanDerWaalsContact CD1-CG1 3.46Å; L1762-I1856 HydrophobicContact CG-CD1 4.4Å; L1762-I1856 HydrophobicContact CG-CG1 3.82Å |
| 1763 | Q | 56.9 | Low | 51.8 | Low | 88 Ų | 88 | 67.1 Ų | 67.1 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 176 | -127.3 | -174.8 | 23.3 | 0 | 0 | 111.6 | E1759 H1760 R1766 K1767 | E1759-Q1763 WeakPolarHBondContact O-CB 3.32Å; E1759-Q1763 PolarHBondContact O-N 3.36Å; H1760-Q1763 PolarHBondContact O-N 3.23Å; Q1763-R1766 PolarHBondContact O-N 2.79Å; Q1763-K1767 WeakPolarHBondContact O-CB 3.26Å; Q1763-K1767 VanDerWaalsContact O-CG 3.31Å; Q1763-K1767 WeakPolarHBondContact O-CG 3.39Å; Q1763-K1767 PolarHBondContact O-N 3.26Å |
| 1764 | F | 56.2 | Low | 51 | Low | 41 Ų | 41 | 69.5 Ų | 69.5 | 18% | 0.18 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 175.3 | 175.5 | -97.3 | 0 | 0 | 0 | 111.2 | L1724 L1741 H1760 L1761 K1767 K1768 | L1724-F1764 HydrophobicContact CB-CB 4.25Å; L1724-F1764 HydrophobicContact CB-CD2 4.26Å; L1724-F1764 HydrophobicContact CB-CG 4.4Å; L1724-F1764 HydrophobicContact CD2-CB 3.94Å; L1724-F1764 HydrophobicContact CD2-CD1 3.58Å; L1724-F1764 HydrophobicContact CD2-CD2 3.51Å; L1724-F1764 HydrophobicContact CD2-CE1 3.85Å; L1724-F1764 HydrophobicContact CD2-CE2 3.79Å; L1724-F1764 HydrophobicContact CD2-CG 3.4Å; L1724-F1764 VanDerWaalsContact CD2-CG 3.4Å; L1724-F1764 HydrophobicContact CD2-CZ 3.94Å; L1724-F1764 HydrophobicContact CG-CD2 4.5Å; L1724-F1764 HydrophobicContact CG-CG 4.44Å; L1741-F1764 HydrophobicContact CD2-CE1 4.36Å; H1760-F1764 VanDerWaalsContact O-CB 3.31Å; H1760-F1764 WeakPolarHBondContact O-CB 3.42Å; H1760-F1764 PolarHBondContact O-N 3.44Å; L1761-F1764 PolarHBondContact O-N 3.42Å; F1764-K1767 PolarHBondContact O-N 3.25Å; F1764-K1768 HydrophobicContact CE1-CG 4.33Å; F1764-K1768 HydrophobicContact CZ-CG 4.23Å; F1764-K1768 WeakPolarHBondContact O-CB 3.46Å; F1764-K1768 PolarHBondContact O-N 2.86Å |
| 1765 | L | 52.1 | Low | 50.1 | Low | 28 Ų | 28 | 69.9 Ų | 69.9 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -49.9 | 173.9 | -75.2 | 168.8 | 0 | 0 | 0 | 111.2 | L1742 L1761 K1767 K1768 I1769 L1802 | L1742-L1765 HydrophobicContact CD1-CD1 4.03Å; L1742-L1765 HydrophobicContact CD1-CD2 3.91Å; L1742-L1765 HydrophobicContact CD1-CG 4.39Å; L1761-L1765 HydrophobicContact CD2-CD1 4.45Å; L1761-L1765 HydrophobicContact CG-CD1 4.23Å; L1761-L1765 WeakPolarHBondContact O-CB 3.46Å; L1761-L1765 VanDerWaalsContact O-CG 3.25Å; L1761-L1765 WeakPolarHBondContact O-CG 3.17Å; L1761-L1765 PolarHBondContact O-N 3.13Å; L1765-K1767 PolarHBondContact O-N 3.18Å; L1765-K1768 PolarHBondContact O-N 2.86Å; L1765-I1769 WeakPolarHBondContact O-CB 3.49Å; L1765-I1769 WeakPolarHBondContact O-CD1 3.35Å; L1765-I1769 WeakPolarHBondContact O-CG1 3.49Å; L1765-I1769 PolarHBondContact O-N 3.04Å; L1765-L1802 HydrophobicContact CD2-CD1 3.97Å; L1765-L1802 HydrophobicContact CD2-CD2 4.48Å |
| 1766 | R | 52.5 | Low | 49.1 | Very low | 150 Ų | 150 | 70.9 Ų | 70.9 | 57% | 0.566 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.6 | -42 | 176.1 | -76.9 | 175.3 | 178.2 | -179.8 | 3.2 | 112 | L1762 Q1763 I1769 R1770 | L1762-R1766 HydrophobicContact CD2-CG 4.23Å; L1762-R1766 VanDerWaalsContact CD2-NE 3.27Å; L1762-R1766 WeakPolarHBondContact O-CB 3.48Å; L1762-R1766 WeakPolarHBondContact O-CG 3.42Å; L1762-R1766 PolarHBondContact O-N 3.35Å; Q1763-R1766 PolarHBondContact O-N 2.79Å; R1766-I1769 PolarHBondContact O-N 2.92Å; R1766-R1770 VanDerWaalsContact O-CB 3.23Å; R1766-R1770 WeakPolarHBondContact O-CB 3.34Å; R1766-R1770 PolarHBondContact O-N 3.36Å |
| 1767 | K | 50.1 | Low | 48.3 | Very low | 68 Ų | 68 | 69.4 Ų | 69.4 | 30% | 0.296 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 177 | -83.9 | 178 | 179.3 | 167.1 | 0 | 111.7 | N1727 Q1763 F1764 L1765 R1770 H1771 | N1727-K1767 PolarHBondContact OD1-NZ 3.1Å; Q1763-K1767 WeakPolarHBondContact O-CB 3.26Å; Q1763-K1767 VanDerWaalsContact O-CG 3.31Å; Q1763-K1767 WeakPolarHBondContact O-CG 3.39Å; Q1763-K1767 PolarHBondContact O-N 3.26Å; F1764-K1767 PolarHBondContact O-N 3.25Å; L1765-K1767 PolarHBondContact O-N 3.18Å; K1767-R1770 PolarHBondContact O-N 2.82Å; K1767-H1771 VanDerWaalsContact O-CB 3.28Å; K1767-H1771 WeakPolarHBondContact O-CB 3.09Å; K1767-H1771 PolarHBondContact O-N 3.48Å |
| 1768 | K | 48.5 | Very low | 47.2 | Very low | 30 Ų | 30 | 76.5 Ų | 76.5 | 13% | 0.13 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 172.7 | -89.4 | -103.3 | 178.1 | 172.5 | 0 | 110.6 | Q1732 F1764 L1765 R1770 H1771 F1772 | Q1732-K1768 WeakPolarHBondContact O-CE 3.43Å; Q1732-K1768 PolarHBondContact O-NZ 3.3Å; F1764-K1768 HydrophobicContact CE1-CG 4.33Å; F1764-K1768 HydrophobicContact CZ-CG 4.23Å; F1764-K1768 WeakPolarHBondContact O-CB 3.46Å; F1764-K1768 PolarHBondContact O-N 2.86Å; L1765-K1768 PolarHBondContact O-N 2.86Å; K1768-R1770 VanDerWaalsContact C-N 3.29Å; K1768-R1770 PolarHBondContact O-N 3.33Å; K1768-H1771 PolarHBondContact O-N 2.85Å; K1768-F1772 HydrophobicContact CB-CE2 4.47Å; K1768-F1772 HydrophobicContact CD-CE2 3.85Å; K1768-F1772 WeakPolarHBondContact O-CD2 3.4Å; K1768-F1772 PolarHBondContact O-N 3.19Å |
| 1769 | I | 46.4 | Very low | 46 | Very low | 82 Ų | 82 | 80.4 Ų | 80.4 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.2 | -42.4 | 174.9 | -67.4 | 164.2 | 0 | 0 | 0 | 111 | L1765 R1766 F1772 K1773 | L1765-I1769 WeakPolarHBondContact O-CB 3.49Å; L1765-I1769 WeakPolarHBondContact O-CD1 3.35Å; L1765-I1769 WeakPolarHBondContact O-CG1 3.49Å; L1765-I1769 PolarHBondContact O-N 3.04Å; R1766-I1769 PolarHBondContact O-N 2.92Å; I1769-F1772 PolarHBondContact O-N 3.39Å; I1769-K1773 PolarHBondContact O-N 3.26Å |
| 1770 | R | 42.1 | Very low | 44.8 | Very low | 160 Ų | 160 | 79.9 Ų | 79.9 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69.2 | -41.7 | 177.3 | -173.6 | 178 | 174.2 | 163.2 | 3.2 | 112.3 | R1766 K1767 K1768 F1772 K1773 E1774 | R1766-R1770 VanDerWaalsContact O-CB 3.23Å; R1766-R1770 WeakPolarHBondContact O-CB 3.34Å; R1766-R1770 PolarHBondContact O-N 3.36Å; K1767-R1770 PolarHBondContact O-N 2.82Å; K1768-R1770 VanDerWaalsContact C-N 3.29Å; K1768-R1770 PolarHBondContact O-N 3.33Å; R1770-F1772 VanDerWaalsContact C-N 3.28Å; R1770-F1772 PolarHBondContact O-N 2.87Å; R1770-K1773 CarbonylContact O-C 3.57Å; R1770-K1773 WeakPolarHBondContact O-CA 3.25Å; R1770-K1773 WeakPolarHBondContact O-CB 3.13Å; R1770-K1773 PolarHBondContact O-N 2.69Å; R1770-E1774 IonicContact CZ-OE1 2.61Å; R1770-E1774 IonicContact NE-OE1 3.66Å; R1770-E1774 PolarHBondContact NE-OE1 3.45Å; R1770-E1774 IonicContact NH2-OE1 2.8Å; R1770-E1774 PolarHBondContact NH2-OE1 2.93Å; R1770-E1774 PolarHBondContact O-N 2.82Å |
| 1771 | H | 42.1 | Very low | 43.8 | Very low | 48 Ų | 48 | 85 Ų | 85 | 22% | 0.222 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 175.1 | -165.9 | 70.6 | 0 | 0 | 0 | 110.8 | Q1732 K1767 K1768 K1773 E1774 L1775 | Q1732-H1771 PolarHBondContact OE1-CD2 2.77Å; Q1732-H1771 PolarHBondContact OE1-CE1 3.2Å; Q1732-H1771 VanDerWaalsContact OE1-CE1 3.28Å; Q1732-H1771 PolarHBondContact OE1-ND1 2.88Å; Q1732-H1771 PolarHBondContact OE1-NE2 3Å; K1767-H1771 VanDerWaalsContact O-CB 3.28Å; K1767-H1771 WeakPolarHBondContact O-CB 3.09Å; K1767-H1771 PolarHBondContact O-N 3.48Å; K1768-H1771 PolarHBondContact O-N 2.85Å; H1771-K1773 VanDerWaalsContact C-N 3.33Å; H1771-K1773 PolarHBondContact O-N 2.77Å; H1771-E1774 PolarHBondContact O-N 3.49Å; H1771-L1775 WeakPolarHBondContact O-CB 3.5Å; H1771-L1775 PolarHBondContact O-N 3.12Å |
| 1772 | F | 40.1 | Very low | 42.6 | Very low | 71 Ų | 71 | 90 Ų | 90 | 31% | 0.311 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.5 | -33.1 | 170.8 | -77.8 | -62.8 | 0 | 0 | 0 | 113.1 | K1768 I1769 R1770 K1776 L1793 | K1768-F1772 HydrophobicContact CB-CE2 4.47Å; K1768-F1772 HydrophobicContact CD-CE2 3.85Å; K1768-F1772 WeakPolarHBondContact O-CD2 3.4Å; K1768-F1772 PolarHBondContact O-N 3.19Å; I1769-F1772 PolarHBondContact O-N 3.39Å; R1770-F1772 VanDerWaalsContact C-N 3.28Å; R1770-F1772 PolarHBondContact O-N 2.87Å; F1772-K1776 PolarHBondContact O-N 3.46Å; F1772-L1793 HydrophobicContact CD1-CB 3.39Å; F1772-L1793 HydrophobicContact CD1-CD1 3.65Å; F1772-L1793 HydrophobicContact CD1-CG 4.08Å; F1772-L1793 HydrophobicContact CD2-CD1 3.81Å; F1772-L1793 HydrophobicContact CE1-CB 3.62Å; F1772-L1793 HydrophobicContact CE1-CD1 3.12Å; F1772-L1793 HydrophobicContact CE1-CG 3.95Å; F1772-L1793 HydrophobicContact CE2-CD1 3.33Å; F1772-L1793 HydrophobicContact CE2-CG 4.49Å; F1772-L1793 HydrophobicContact CG-CB 3.97Å; F1772-L1793 HydrophobicContact CG-CD1 4.01Å; F1772-L1793 HydrophobicContact CG-CG 4.44Å; F1772-L1793 HydrophobicContact CZ-CB 4.36Å; F1772-L1793 HydrophobicContact CZ-CD1 2.97Å; F1772-L1793 HydrophobicContact CZ-CG 4.21Å |
| 1773 | K | 38.3 | Very low | 41.2 | Very low | 152 Ų | 152 | 96 Ų | 96 | 66% | 0.661 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -73.5 | -40.5 | 170.6 | -79.3 | -174.8 | 174.8 | -178.9 | 0 | 113.3 | I1769 R1770 H1771 K1776 S1777 | I1769-K1773 PolarHBondContact O-N 3.26Å; R1770-K1773 CarbonylContact O-C 3.57Å; R1770-K1773 WeakPolarHBondContact O-CA 3.25Å; R1770-K1773 WeakPolarHBondContact O-CB 3.13Å; R1770-K1773 PolarHBondContact O-N 2.69Å; H1771-K1773 VanDerWaalsContact C-N 3.33Å; H1771-K1773 PolarHBondContact O-N 2.77Å; K1773-K1776 WeakPolarHBondContact O-CA 2.85Å; K1773-K1776 WeakPolarHBondContact O-CB 2.91Å; K1773-K1776 PolarHBondContact O-N 3.42Å; K1773-K1776 VanDerWaalsContact O-N 3.12Å; K1773-S1777 PolarHBondContact O-N 2.68Å; K1773-S1777 VanDerWaalsContact O-N 3.16Å |
| 1774 | E | 37.8 | Very low | 39.8 | Very low | 88 Ų | 88 | 96.4 Ų | 96.4 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71 | -36.7 | -179.9 | -89.1 | 168.4 | -166.9 | 0 | 0 | 111.7 | R1770 H1771 K1776 S1777 Q1778 | R1770-E1774 IonicContact CZ-OE1 2.61Å; R1770-E1774 IonicContact NE-OE1 3.66Å; R1770-E1774 PolarHBondContact NE-OE1 3.45Å; R1770-E1774 IonicContact NH2-OE1 2.8Å; R1770-E1774 PolarHBondContact NH2-OE1 2.93Å; R1770-E1774 PolarHBondContact O-N 2.82Å; H1771-E1774 PolarHBondContact O-N 3.49Å; E1774-K1776 PolarHBondContact O-N 3.34Å; E1774-S1777 PolarHBondContact O-N 3.47Å; E1774-S1777 PolarHBondContact O-OG 3.12Å; E1774-Q1778 PolarHBondContact O-N 2.99Å |
| 1775 | L | 36.1 | Very low | 38.4 | Very low | 59 Ų | 59 | 103.2 Ų | 103.2 | 31% | 0.309 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.5 | -33.5 | 167.4 | -102.6 | 146.8 | 0 | 0 | 0 | 111.6 | H1771 L1779 | H1771-L1775 WeakPolarHBondContact O-CB 3.5Å; H1771-L1775 PolarHBondContact O-N 3.12Å; L1775-L1779 HydrophobicContact CD2-CD1 3.56Å; L1775-L1779 VanDerWaalsContact O-CB 3.3Å; L1775-L1779 WeakPolarHBondContact O-CB 3.25Å; L1775-L1779 PolarHBondContact O-N 2.91Å |
| 1776 | K | 34.9 | Very low | 37.3 | Very low | 122 Ų | 122 | 109.3 Ų | 109.3 | 53% | 0.53 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 171.5 | -149.7 | 178.8 | -178.5 | -177.4 | 0 | 110.9 | F1772 K1773 E1774 Q1778 L1779 D1780 | F1772-K1776 PolarHBondContact O-N 3.46Å; K1773-K1776 WeakPolarHBondContact O-CA 2.85Å; K1773-K1776 WeakPolarHBondContact O-CB 2.91Å; K1773-K1776 PolarHBondContact O-N 3.42Å; K1773-K1776 VanDerWaalsContact O-N 3.12Å; E1774-K1776 PolarHBondContact O-N 3.34Å; K1776-Q1778 PolarHBondContact O-N 2.9Å; K1776-L1779 PolarHBondContact O-N 3.43Å; K1776-D1780 PolarHBondContact O-N 2.86Å |
| 1777 | S | 38.3 | Very low | 36.1 | Very low | 68 Ų | 68 | 106.3 Ų | 106.3 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.4 | -31.9 | 179.6 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | K1773 E1774 | K1773-S1777 PolarHBondContact O-N 2.68Å; K1773-S1777 VanDerWaalsContact O-N 3.16Å; E1774-S1777 PolarHBondContact O-N 3.47Å; E1774-S1777 PolarHBondContact O-OG 3.12Å |
| 1778 | Q | 34.2 | Very low | 34.8 | Very low | 150 Ų | 150 | 111.5 Ų | 111.5 | 70% | 0.701 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -84 | -30.9 | 177.2 | -72.5 | -168.9 | -13.1 | 0 | 0 | 112.6 | E1774 K1776 N1781 | E1774-Q1778 PolarHBondContact O-N 2.99Å; K1776-Q1778 PolarHBondContact O-N 2.9Å; Q1778-N1781 PolarHBondContact O-N 3.37Å |
| 1779 | L | 30.5 | Very low | 33.7 | Very low | 97 Ų | 97 | 115.6 Ų | 115.6 | 51% | 0.508 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -75.9 | -23.4 | 173.6 | -101.8 | 84.5 | 0 | 0 | 0 | 113.4 | L1775 K1776 N1781 V1782 | L1775-L1779 HydrophobicContact CD2-CD1 3.56Å; L1775-L1779 VanDerWaalsContact O-CB 3.3Å; L1775-L1779 WeakPolarHBondContact O-CB 3.25Å; L1775-L1779 PolarHBondContact O-N 2.91Å; K1776-L1779 PolarHBondContact O-N 3.43Å; L1779-N1781 PolarHBondContact O-N 2.76Å; L1779-N1781 VanDerWaalsContact O-N 3.1Å; L1779-V1782 PolarHBondContact O-N 2.92Å; L1779-V1782 VanDerWaalsContact O-N 3.07Å |
| 1780 | D | 35.3 | Very low | 32.7 | Very low | 106 Ų | 106 | 120.1 Ų | 120.1 | 57% | 0.567 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -16.6 | 174.8 | -75.1 | -19.5 | 0 | 0 | 0 | 112.1 | K1776 | K1776-D1780 PolarHBondContact O-N 2.86Š|
| 1781 | N | 36.2 | Very low | 32 | Very low | 146 Ų | 146 | 118.1 Ų | 118.1 | 78% | 0.781 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -4.3 | 175 | -78.1 | -11 | 0 | 0 | 0 | 115.2 | Q1778 L1779 | Q1778-N1781 PolarHBondContact O-N 3.37Å; L1779-N1781 PolarHBondContact O-N 2.76Å; L1779-N1781 VanDerWaalsContact O-N 3.1Å |
| 1782 | V | 30.1 | Very low | 31.3 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 66% | 0.661 | 64% | 0.642 | S | S | * | * | trans | -127 | 69.2 | 176.2 | -169 | 0 | 0 | 0 | 0 | 109 | L1779 S1784 | L1779-V1782 PolarHBondContact O-N 2.92Å; L1779-V1782 VanDerWaalsContact O-N 3.07Å; V1782-S1784 PolarHBondContact O-N 2.81Å | ||
| 1783 | I | 25.8 | Very low | 30.8 | Very low | 152 Ų | 152 | 120.6 Ų | 120.6 | 78% | 0.779 | 65% | 0.647 | S | S | * | * | trans | -69.9 | 102.9 | 167.7 | -60.3 | 169 | 0 | 0 | 0 | 107.6 | ||||
| 1784 | S | 28.6 | Very low | 30.5 | Very low | 98 Ų | 98 | 121.2 Ų | 121.2 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | trans | -158.1 | 83.9 | 155.2 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | V1782 N1786 | V1782-S1784 PolarHBondContact O-N 2.81Å; S1784-N1786 VanDerWaalsContact C-N 3.34Å; S1784-N1786 PolarHBondContact O-N 3.3Å | ||
| 1785 | E | 27.6 | Very low | 30.5 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 86% | 0.855 | 66% | 0.66 | S | S | * | * | trans | 5.9 | -7.7 | 160.2 | -76.9 | 180 | 151.9 | 0 | 0 | 125.9 | ||||
| 1786 | N | 28 | Very low | 30.5 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 68% | 0.675 | S | S | * | * | trans | -137.9 | 30.4 | -162.2 | -81.1 | -38.1 | 0 | 0 | 0 | 119.5 | S1784 | S1784-N1786 VanDerWaalsContact C-N 3.34Å; S1784-N1786 PolarHBondContact O-N 3.3Å | ||
| 1787 | A | 26.4 | Very low | 30.9 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -153.9 | 133.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1788 | F | 23.8 | Very low | 31.1 | Very low | 178 Ų | 178 | 125.7 Ų | 125.7 | 78% | 0.781 | 67% | 0.667 | S | S | * | * | trans | 79.9 | 72.7 | 177.3 | -74.4 | -89.3 | 0 | 0 | 0 | 117.4 | Q1790 | F1788-Q1790 PolarHBondContact O-N 3.46Š| ||
| 1789 | S | 24.3 | Very low | 31.5 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 66% | 0.662 | S | S | * | * | trans | -85.5 | 22.7 | 170.4 | 50.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1790 | Q | 27.1 | Very low | 32.3 | Very low | 176 Ų | 176 | 121.9 Ų | 121.9 | 82% | 0.822 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -136.9 | 0.5 | -175.3 | -79.7 | -168.3 | -16.6 | 0 | 0 | 119.3 | F1788 | F1788-Q1790 PolarHBondContact O-N 3.46Š|
| 1791 | T | 26.9 | Very low | 33.2 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 73% | 0.73 | 63% | 0.633 | S | S | * | * | trans | -143.6 | 35.8 | -178.8 | 45.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 1792 | T | 26.8 | Very low | 33.8 | Very low | 90 Ų | 90 | 114.8 Ų | 114.8 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | trans | -102.5 | 121.1 | 170 | 37.4 | 0 | 0 | 0 | 0 | 112.1 | K1794 | T1792-K1794 VanDerWaalsContact C-N 3.28Å; T1792-K1794 PolarHBondContact O-N 3.19Å | ||
| 1793 | L | 29.9 | Very low | 34.9 | Very low | 80 Ų | 80 | 110.4 Ų | 110.4 | 42% | 0.419 | 58% | 0.58 | S | S | . | * | trans | -74 | 67.4 | -176.2 | -119.1 | 142.4 | 0 | 0 | 0 | 113 | F1772 D1798 | F1772-L1793 HydrophobicContact CD1-CB 3.39Å; F1772-L1793 HydrophobicContact CD1-CD1 3.65Å; F1772-L1793 HydrophobicContact CD1-CG 4.08Å; F1772-L1793 HydrophobicContact CD2-CD1 3.81Å; F1772-L1793 HydrophobicContact CE1-CB 3.62Å; F1772-L1793 HydrophobicContact CE1-CD1 3.12Å; F1772-L1793 HydrophobicContact CE1-CG 3.95Å; F1772-L1793 HydrophobicContact CE2-CD1 3.33Å; F1772-L1793 HydrophobicContact CE2-CG 4.49Å; F1772-L1793 HydrophobicContact CG-CB 3.97Å; F1772-L1793 HydrophobicContact CG-CD1 4.01Å; F1772-L1793 HydrophobicContact CG-CG 4.44Å; F1772-L1793 HydrophobicContact CZ-CB 4.36Å; F1772-L1793 HydrophobicContact CZ-CD1 2.97Å; F1772-L1793 HydrophobicContact CZ-CG 4.21Å; L1793-D1798 HydrophobicContact CD2-CB 3.73Å; L1793-D1798 WeakPolarHBondContact CD2-OD2 3.4Å; L1793-D1798 WeakPolarHBondContact CG-OD2 3.5Å | ||
| 1794 | K | 31.6 | Very low | 36.5 | Very low | 165 Ų | 165 | 108.1 Ų | 108.1 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | trans | -103.6 | 2.2 | 178.8 | -105.1 | -173 | -178.7 | 178.2 | 0 | 114.6 | T1792 | T1792-K1794 VanDerWaalsContact C-N 3.28Å; T1792-K1794 PolarHBondContact O-N 3.19Å | ||
| 1795 | F | 39.2 | Very low | 37.9 | Very low | 141 Ų | 141 | 104.2 Ų | 104.2 | 62% | 0.618 | 53% | 0.533 | S | S | * | . | trans | -100.5 | 125.1 | -174 | -66.7 | -77.1 | 0 | 0 | 0 | 112.2 | N1797 D1798 | F1795-N1797 HydrophobicContact CB-CB 3.93Å; F1795-N1797 PolarHBondContact O-N 3.47Å; F1795-D1798 PolarHBondContact O-N 3.47Å | ||
| 1796 | E | 35.4 | Very low | 39.1 | Very low | 137 Ų | 137 | 96.2 Ų | 96.2 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -40.9 | -30.3 | 156.9 | -105.6 | 173.9 | 151.1 | 0 | 0 | 112 | D1798 Q1799 L1800 | E1796-D1798 VanDerWaalsContact C-N 3.26Å; E1796-D1798 PolarHBondContact O-N 2.95Å; E1796-Q1799 PolarHBondContact O-N 3.5Å; E1796-L1800 WeakPolarHBondContact O-CB 2.9Å; E1796-L1800 WeakPolarHBondContact O-CG 3.09Å; E1796-L1800 PolarHBondContact O-N 2.85Å |
| 1797 | N | 43 | Very low | 40.6 | Very low | 104 Ų | 104 | 88.8 Ų | 88.8 | 56% | 0.556 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -57.4 | -31 | 175.5 | -66.1 | -12.2 | 0 | 0 | 0 | 113.9 | F1795 L1800 E1801 | F1795-N1797 HydrophobicContact CB-CB 3.93Å; F1795-N1797 PolarHBondContact O-N 3.47Å; N1797-L1800 WeakPolarHBondContact O-CB 3.49Å; N1797-E1801 VanDerWaalsContact O-CB 3.24Å; N1797-E1801 WeakPolarHBondContact O-CB 3.47Å; N1797-E1801 PolarHBondContact O-N 3.01Å |
| 1798 | D | 41.8 | Very low | 42.3 | Very low | 50 Ų | 50 | 87.5 Ų | 87.5 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -79.6 | -33.7 | 178.7 | -72 | -35.8 | 0 | 0 | 0 | 112.3 | Y1739 L1793 F1795 E1796 E1801 L1802 | Y1739-D1798 WeakPolarHBondContact OH-CA 3.4Å; Y1739-D1798 VanDerWaalsContact OH-CB 3.24Å; Y1739-D1798 WeakPolarHBondContact OH-CB 3.45Å; Y1739-D1798 PolarHBondContact OH-OD1 3.42Å; L1793-D1798 HydrophobicContact CD2-CB 3.73Å; L1793-D1798 WeakPolarHBondContact CD2-OD2 3.4Å; L1793-D1798 WeakPolarHBondContact CG-OD2 3.5Å; F1795-D1798 PolarHBondContact O-N 3.47Å; E1796-D1798 VanDerWaalsContact C-N 3.26Å; E1796-D1798 PolarHBondContact O-N 2.95Å; D1798-E1801 PolarHBondContact O-N 3.39Å; D1798-L1802 WeakPolarHBondContact O-CB 3.18Å; D1798-L1802 PolarHBondContact O-N 3.47Å |
| 1799 | Q | 42.2 | Very low | 43.9 | Very low | 129 Ų | 129 | 79.1 Ų | 79.1 | 60% | 0.603 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.8 | -42.5 | 169.5 | -75.4 | -168.5 | -19.6 | 0 | 0 | 110.6 | E1796 E1801 L1802 I1803 | E1796-Q1799 PolarHBondContact O-N 3.5Å; Q1799-E1801 VanDerWaalsContact C-N 3.33Å; Q1799-L1802 WeakPolarHBondContact O-CB 3.49Å; Q1799-L1802 PolarHBondContact O-N 3.42Å; Q1799-I1803 WeakPolarHBondContact O-CB 3.25Å; Q1799-I1803 WeakPolarHBondContact O-CD1 3.12Å; Q1799-I1803 VanDerWaalsContact O-CG1 3.24Å; Q1799-I1803 WeakPolarHBondContact O-CG1 3.42Å; Q1799-I1803 PolarHBondContact O-N 2.96Å |
| 1800 | L | 48.4 | Very low | 45.4 | Very low | 38 Ų | 38 | 73.7 Ų | 73.7 | 20% | 0.199 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.1 | -45 | 171.2 | -85.3 | 164 | 0 | 0 | 0 | 111.6 | E1796 N1797 I1803 R1804 Y1866 F1870 | E1796-L1800 WeakPolarHBondContact O-CB 2.9Å; E1796-L1800 WeakPolarHBondContact O-CG 3.09Å; E1796-L1800 PolarHBondContact O-N 2.85Å; N1797-L1800 WeakPolarHBondContact O-CB 3.49Å; L1800-I1803 PolarHBondContact O-N 3.43Å; L1800-R1804 WeakPolarHBondContact O-CB 3.05Å; L1800-R1804 PolarHBondContact O-N 3.35Å; L1800-Y1866 HydrophobicContact CD2-CD1 3.76Å; L1800-Y1866 HydrophobicContact CD2-CE1 3.57Å; L1800-Y1866 HydrophobicContact CG-CE1 4.18Å; L1800-F1870 HydrophobicContact CD2-CD2 4.2Å; L1800-F1870 HydrophobicContact CD2-CE1 4.44Å; L1800-F1870 HydrophobicContact CD2-CE2 3.14Å; L1800-F1870 HydrophobicContact CD2-CZ 3.3Å |
| 1801 | E | 53.5 | Low | 46.9 | Very low | 58 Ų | 58 | 66.4 Ų | 66.4 | 27% | 0.271 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 178.7 | -165.6 | 69.2 | -178.7 | 0 | 0 | 111.3 | Y1739 N1797 D1798 Q1799 R1804 I1805 | Y1739-E1801 HydrophobicContact CD1-CG 4.1Å; Y1739-E1801 HydrophobicContact CE1-CB 3.87Å; Y1739-E1801 HydrophobicContact CE1-CG 3.69Å; Y1739-E1801 HydrophobicContact CE2-CG 4.26Å; Y1739-E1801 HydrophobicContact CG-CG 4.5Å; N1797-E1801 VanDerWaalsContact O-CB 3.24Å; N1797-E1801 WeakPolarHBondContact O-CB 3.47Å; N1797-E1801 PolarHBondContact O-N 3.01Å; D1798-E1801 PolarHBondContact O-N 3.39Å; Q1799-E1801 VanDerWaalsContact C-N 3.33Å; E1801-R1804 PolarHBondContact O-N 3.36Å; E1801-R1804 IonicContact OE1-CZ 2.72Å; E1801-R1804 IonicContact OE1-NE 2.66Å; E1801-R1804 IonicContact OE1-NH2 3.63Å; E1801-R1804 PolarHBondContact OE1-NH2 2.71Å; E1801-R1804 IonicContact OE2-CZ 2.78Å; E1801-R1804 IonicContact OE2-NE 3.09Å; E1801-R1804 PolarHBondContact OE2-NE 3.17Å; E1801-R1804 IonicContact OE2-NH2 3.9Å; E1801-R1804 PolarHBondContact OE2-NH2 3.08Å; E1801-I1805 HydrophobicContact CG-CD1 4.04Å; E1801-I1805 WeakPolarHBondContact O-CB 3.34Å; E1801-I1805 WeakPolarHBondContact O-CD1 3.29Å; E1801-I1805 VanDerWaalsContact O-CG1 3.23Å; E1801-I1805 WeakPolarHBondContact O-CG1 3.1Å; E1801-I1805 PolarHBondContact O-N 3.22Å |
| 1802 | L | 50.2 | Low | 48.6 | Very low | 44 Ų | 44 | 64.8 Ų | 64.8 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 173 | -160.3 | 95.5 | 0 | 0 | 0 | 111.2 | L1742 L1765 D1798 Q1799 I1805 I1806 | L1742-L1802 HydrophobicContact CD2-CD1 3.38Å; L1742-L1802 HydrophobicContact CD2-CG 3.72Å; L1765-L1802 HydrophobicContact CD2-CD1 3.97Å; L1765-L1802 HydrophobicContact CD2-CD2 4.48Å; D1798-L1802 WeakPolarHBondContact O-CB 3.18Å; D1798-L1802 PolarHBondContact O-N 3.47Å; Q1799-L1802 WeakPolarHBondContact O-CB 3.49Å; Q1799-L1802 PolarHBondContact O-N 3.42Å; L1802-I1805 PolarHBondContact O-N 3.03Å; L1802-I1806 HydrophobicContact CD2-CD1 4.35Å; L1802-I1806 HydrophobicContact CG-CD1 4.36Å; L1802-I1806 WeakPolarHBondContact O-CD1 3.43Å; L1802-I1806 VanDerWaalsContact O-CG1 3.23Å; L1802-I1806 WeakPolarHBondContact O-CG1 3.48Å; L1802-I1806 PolarHBondContact O-N 2.98Å |
| 1803 | I | 52.5 | Low | 49.8 | Very low | 18 Ų | 18 | 62.5 Ų | 62.5 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 177.8 | -67.7 | 158.6 | 0 | 0 | 0 | 110.3 | Q1799 L1800 I1806 S1807 Y1866 | Q1799-I1803 WeakPolarHBondContact O-CB 3.25Å; Q1799-I1803 WeakPolarHBondContact O-CD1 3.12Å; Q1799-I1803 VanDerWaalsContact O-CG1 3.24Å; Q1799-I1803 WeakPolarHBondContact O-CG1 3.42Å; Q1799-I1803 PolarHBondContact O-N 2.96Å; L1800-I1803 PolarHBondContact O-N 3.43Å; I1803-I1806 PolarHBondContact O-N 2.97Å; I1803-S1807 WeakPolarHBondContact O-CB 3.29Å; I1803-S1807 PolarHBondContact O-N 3.18Å; I1803-Y1866 HydrophobicContact CD1-CD1 4.39Å; I1803-Y1866 HydrophobicContact CD1-CD2 4.42Å; I1803-Y1866 HydrophobicContact CD1-CG 3.96Å |
| 1804 | R | 58.9 | Low | 50.9 | Low | 104 Ų | 104 | 59.9 Ų | 59.9 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.9 | -170.9 | 175.3 | 83.8 | 104 | -1 | 111 | L1800 E1801 I1806 S1807 D1808 | L1800-R1804 WeakPolarHBondContact O-CB 3.05Å; L1800-R1804 PolarHBondContact O-N 3.35Å; E1801-R1804 PolarHBondContact O-N 3.36Å; E1801-R1804 IonicContact OE1-CZ 2.72Å; E1801-R1804 IonicContact OE1-NE 2.66Å; E1801-R1804 IonicContact OE1-NH2 3.63Å; E1801-R1804 PolarHBondContact OE1-NH2 2.71Å; E1801-R1804 IonicContact OE2-CZ 2.78Å; E1801-R1804 IonicContact OE2-NE 3.09Å; E1801-R1804 PolarHBondContact OE2-NE 3.17Å; E1801-R1804 IonicContact OE2-NH2 3.9Å; E1801-R1804 PolarHBondContact OE2-NH2 3.08Å; R1804-I1806 PolarHBondContact O-N 3.39Å; R1804-S1807 WeakPolarHBondContact O-CB 3.01Å; R1804-S1807 PolarHBondContact O-N 2.83Å; R1804-D1808 VanDerWaalsContact O-CB 3.25Å; R1804-D1808 WeakPolarHBondContact O-CB 3.46Å; R1804-D1808 PolarHBondContact O-N 2.98Å |
| 1805 | I | 57.5 | Low | 52.2 | Low | 15 Ų | 15 | 57.5 Ų | 57.5 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 177 | -70.6 | 160.4 | 0 | 0 | 0 | 111.4 | Y1739 L1742 D1743 I1746 E1801 L1802 N1809 | Y1739-I1805 HydrophobicContact CD1-CD1 3.13Å; Y1739-I1805 HydrophobicContact CE1-CD1 4Å; Y1739-I1805 HydrophobicContact CG-CD1 3.63Å; L1742-I1805 HydrophobicContact CB-CG2 4.43Å; L1742-I1805 HydrophobicContact CD2-CB 4.38Å; L1742-I1805 HydrophobicContact CD2-CG2 4.02Å; L1742-I1805 HydrophobicContact CG-CG2 4.34Å; D1743-I1805 HydrophobicContact CB-CG2 4.14Å; I1746-I1805 HydrophobicContact CD1-CG2 4.46Å; E1801-I1805 HydrophobicContact CG-CD1 4.04Å; E1801-I1805 WeakPolarHBondContact O-CB 3.34Å; E1801-I1805 WeakPolarHBondContact O-CD1 3.29Å; E1801-I1805 VanDerWaalsContact O-CG1 3.23Å; E1801-I1805 WeakPolarHBondContact O-CG1 3.1Å; E1801-I1805 PolarHBondContact O-N 3.22Å; L1802-I1805 PolarHBondContact O-N 3.03Å; I1805-N1809 WeakPolarHBondContact O-CB 3.43Å; I1805-N1809 PolarHBondContact O-N 3.29Å; I1805-N1809 PolarHBondContact O-ND2 2.9Å |
| 1806 | I | 54.1 | Low | 52.9 | Low | 16 Ų | 16 | 54.7 Ų | 54.7 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -46.8 | 175.7 | -63.1 | 158.6 | 0 | 0 | 0 | 110.4 | I1746 L1802 I1803 R1804 N1809 I1810 F1857 | I1746-I1806 HydrophobicContact CD1-CB 4.12Å; I1746-I1806 HydrophobicContact CD1-CG1 3.42Å; I1746-I1806 VanDerWaalsContact CD1-CG1 3.42Å; L1802-I1806 HydrophobicContact CD2-CD1 4.35Å; L1802-I1806 HydrophobicContact CG-CD1 4.36Å; L1802-I1806 WeakPolarHBondContact O-CD1 3.43Å; L1802-I1806 VanDerWaalsContact O-CG1 3.23Å; L1802-I1806 WeakPolarHBondContact O-CG1 3.48Å; L1802-I1806 PolarHBondContact O-N 2.98Å; I1803-I1806 PolarHBondContact O-N 2.97Å; R1804-I1806 PolarHBondContact O-N 3.39Å; I1806-N1809 PolarHBondContact O-N 2.94Å; I1806-I1810 HydrophobicContact CG2-CD1 3.61Å; I1806-I1810 HydrophobicContact CG2-CG1 4.4Å; I1806-I1810 WeakPolarHBondContact O-CB 3.23Å; I1806-I1810 WeakPolarHBondContact O-CD1 3.36Å; I1806-I1810 VanDerWaalsContact O-CG1 3.24Å; I1806-I1810 WeakPolarHBondContact O-CG1 3.37Å; I1806-I1810 PolarHBondContact O-N 3.44Å; I1806-F1857 HydrophobicContact CB-CZ 4.37Å; I1806-F1857 HydrophobicContact CD1-CZ 4.47Å; I1806-F1857 HydrophobicContact CG2-CE2 3.85Å; I1806-F1857 HydrophobicContact CG2-CZ 3.53Å |
| 1807 | S | 58 | Low | 53.6 | Low | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | I1803 R1804 N1809 I1810 T1811 F1870 T1871 | I1803-S1807 WeakPolarHBondContact O-CB 3.29Å; I1803-S1807 PolarHBondContact O-N 3.18Å; R1804-S1807 WeakPolarHBondContact O-CB 3.01Å; R1804-S1807 PolarHBondContact O-N 2.83Å; S1807-N1809 PolarHBondContact O-N 3.28Å; S1807-I1810 PolarHBondContact O-N 2.74Å; S1807-T1811 WeakPolarHBondContact O-CB 3.5Å; S1807-T1811 PolarHBondContact O-N 3.45Å; S1807-T1811 PolarHBondContact O-OG1 2.8Å; S1807-F1870 PolarHBondContact OG-O 3.3Å; S1807-T1871 WeakPolarHBondContact OG-CA 3.3Å; S1807-T1871 WeakPolarHBondContact OG-CG2 3.38Å; S1807-T1871 PolarHBondContact OG-N 2.95Å; S1807-T1871 VanDerWaalsContact OG-N 3.12Å |
| 1808 | D | 62.8 | Low | 53.8 | Low | 60 Ų | 60 | 50.1 Ų | 50.1 | 32% | 0.321 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 179.8 | -72.9 | -9.4 | 0 | 0 | 0 | 110.4 | R1804 T1811 I1812 | R1804-D1808 VanDerWaalsContact O-CB 3.25Å; R1804-D1808 WeakPolarHBondContact O-CB 3.46Å; R1804-D1808 PolarHBondContact O-N 2.98Å; D1808-T1811 PolarHBondContact O-N 3.38Å; D1808-I1812 WeakPolarHBondContact O-CB 3.4Å; D1808-I1812 WeakPolarHBondContact O-CD1 3.38Å; D1808-I1812 WeakPolarHBondContact O-CG1 3.44Å; D1808-I1812 PolarHBondContact O-N 2.88Å |
| 1809 | N | 57.9 | Low | 54.3 | Low | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 177.4 | -82.1 | -65.9 | 0 | 0 | 0 | 113.6 | D1743 I1746 K1747 L1750 I1805 I1806 S1807 T1811 I1812 W1813 | D1743-N1809 VanDerWaalsContact OD1-CG 3.25Å; D1743-N1809 PolarHBondContact OD1-ND2 3.38Å; D1743-N1809 PolarHBondContact OD1-OD1 3.14Å; I1746-N1809 HydrophobicContact CB-CB 4.32Å; I1746-N1809 HydrophobicContact CG2-CB 3.57Å; K1747-N1809 WeakPolarHBondContact CE-OD1 3.46Å; K1747-N1809 VanDerWaalsContact CG-OD1 3.29Å; K1747-N1809 WeakPolarHBondContact CG-OD1 3.38Å; L1750-N1809 HydrophobicContact CD1-CB 4.34Å; I1805-N1809 WeakPolarHBondContact O-CB 3.43Å; I1805-N1809 PolarHBondContact O-N 3.29Å; I1805-N1809 PolarHBondContact O-ND2 2.9Å; I1806-N1809 PolarHBondContact O-N 2.94Å; S1807-N1809 PolarHBondContact O-N 3.28Å; N1809-T1811 VanDerWaalsContact C-N 3.29Å; N1809-I1812 PolarHBondContact O-N 3.34Å; N1809-W1813 VanDerWaalsContact O-CB 3.23Å; N1809-W1813 WeakPolarHBondContact O-CB 3.29Å; N1809-W1813 PolarHBondContact O-N 3.41Å |
| 1810 | I | 55.3 | Low | 54.5 | Low | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 172.9 | -72 | 166.7 | 0 | 0 | 0 | 109.2 | L1750 I1806 S1807 W1813 I1814 F1854 F1857 | L1750-I1810 HydrophobicContact CD1-CG1 4.45Å; I1806-I1810 HydrophobicContact CG2-CD1 3.61Å; I1806-I1810 HydrophobicContact CG2-CG1 4.4Å; I1806-I1810 WeakPolarHBondContact O-CB 3.23Å; I1806-I1810 WeakPolarHBondContact O-CD1 3.36Å; I1806-I1810 VanDerWaalsContact O-CG1 3.24Å; I1806-I1810 WeakPolarHBondContact O-CG1 3.37Å; I1806-I1810 PolarHBondContact O-N 3.44Å; S1807-I1810 PolarHBondContact O-N 2.74Å; I1810-W1813 PolarHBondContact O-N 2.92Å; I1810-I1814 HydrophobicContact CG2-CD1 3.59Å; I1810-I1814 HydrophobicContact CG2-CG1 4.35Å; I1810-I1814 WeakPolarHBondContact O-CB 3.46Å; I1810-I1814 WeakPolarHBondContact O-CG1 3.4Å; I1810-I1814 PolarHBondContact O-N 3.3Å; I1810-F1854 HydrophobicContact CD1-CD1 4.45Å; I1810-F1854 HydrophobicContact CD1-CE1 3.73Å; I1810-F1854 HydrophobicContact CD1-CZ 4.12Å; I1810-F1854 HydrophobicContact CG1-CE1 4.45Å; I1810-F1854 HydrophobicContact CG1-CZ 4.36Å; I1810-F1854 HydrophobicContact CG2-CE1 4.12Å; I1810-F1854 HydrophobicContact CG2-CZ 3.73Å; I1810-F1857 HydrophobicContact CD1-CE2 4.21Å |
| 1811 | T | 59.7 | Low | 54.2 | Low | 22 Ų | 22 | 51 Ų | 51 | 14% | 0.135 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -51.1 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | S1807 D1808 N1809 W1813 I1814 Q1815 V1875 | S1807-T1811 WeakPolarHBondContact O-CB 3.5Å; S1807-T1811 PolarHBondContact O-N 3.45Å; S1807-T1811 PolarHBondContact O-OG1 2.8Å; D1808-T1811 PolarHBondContact O-N 3.38Å; N1809-T1811 VanDerWaalsContact C-N 3.29Å; T1811-W1813 VanDerWaalsContact C-N 3.27Å; T1811-W1813 PolarHBondContact O-N 2.87Å; T1811-I1814 CarbonylContact O-C 3.59Å; T1811-I1814 PolarHBondContact O-N 2.92Å; T1811-Q1815 WeakPolarHBondContact O-CA 3.25Å; T1811-Q1815 WeakPolarHBondContact O-CB 3.36Å; T1811-Q1815 PolarHBondContact O-N 3.45Å; T1811-V1875 HydrophobicContact CG2-CG2 4.27Å |
| 1812 | I | 61.2 | Low | 53.8 | Low | 86 Ų | 86 | 53.7 Ų | 53.7 | 44% | 0.441 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -30.8 | 177.9 | -69.5 | 163.5 | 0 | 0 | 0 | 112.1 | D1808 N1809 P1816 | D1808-I1812 WeakPolarHBondContact O-CB 3.4Å; D1808-I1812 WeakPolarHBondContact O-CD1 3.38Å; D1808-I1812 WeakPolarHBondContact O-CG1 3.44Å; D1808-I1812 PolarHBondContact O-N 2.88Å; N1809-I1812 PolarHBondContact O-N 3.34Å; I1812-P1816 WeakPolarHBondContact O-CD 3.47Å; I1812-P1816 WeakPolarHBondContact O-CG 3.23Å |
| 1813 | W | 52.3 | Low | 53.6 | Low | 41 Ų | 41 | 57 Ų | 57 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -78.4 | -36.9 | 176.6 | -177.6 | 84.3 | 0 | 0 | 0 | 112.2 | L1750 N1809 I1810 T1811 I1846 | L1750-W1813 HydrophobicContact CB-CB 4.45Å; L1750-W1813 HydrophobicContact CB-CD2 4.01Å; L1750-W1813 HydrophobicContact CB-CG 3.81Å; L1750-W1813 HydrophobicContact CB-CZ2 4.38Å; L1750-W1813 HydrophobicContact CD1-CB 3.85Å; L1750-W1813 HydrophobicContact CD1-CG 4.08Å; L1750-W1813 HydrophobicContact CD2-CD2 3.99Å; L1750-W1813 HydrophobicContact CD2-CE3 4.05Å; L1750-W1813 HydrophobicContact CD2-CG 4.34Å; L1750-W1813 HydrophobicContact CD2-CZ2 4.44Å; L1750-W1813 HydrophobicContact CD2-CZ3 4.35Å; L1750-W1813 HydrophobicContact CG-CD2 4.42Å; L1750-W1813 HydrophobicContact CG-CG 4.31Å; L1750-W1813 WeakPolarHBondContact O-CZ2 3.29Å; L1750-W1813 PolarHBondContact O-NE1 3.01Å; N1809-W1813 VanDerWaalsContact O-CB 3.23Å; N1809-W1813 WeakPolarHBondContact O-CB 3.29Å; N1809-W1813 PolarHBondContact O-N 3.41Å; I1810-W1813 PolarHBondContact O-N 2.92Å; T1811-W1813 VanDerWaalsContact C-N 3.27Å; T1811-W1813 PolarHBondContact O-N 2.87Å; W1813-I1846 HydrophobicContact CH2-CD1 3.85Å; W1813-I1846 HydrophobicContact CZ3-CD1 4.18Å |
| 1814 | I | 53.7 | Low | 53 | Low | 26 Ų | 26 | 63.8 Ų | 63.8 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.2 | -38.8 | 175.9 | -68.3 | 175.2 | 0 | 0 | 0 | 110.3 | I1810 T1811 R1817 F1818 V1875 | I1810-I1814 HydrophobicContact CG2-CD1 3.59Å; I1810-I1814 HydrophobicContact CG2-CG1 4.35Å; I1810-I1814 WeakPolarHBondContact O-CB 3.46Å; I1810-I1814 WeakPolarHBondContact O-CG1 3.4Å; I1810-I1814 PolarHBondContact O-N 3.3Å; T1811-I1814 CarbonylContact O-C 3.59Å; T1811-I1814 PolarHBondContact O-N 2.92Å; I1814-R1817 CarbonylContact O-C 3.45Å; I1814-R1817 WeakPolarHBondContact O-CA 3.16Å; I1814-R1817 WeakPolarHBondContact O-CB 3.26Å; I1814-R1817 PolarHBondContact O-N 3.36Å; I1814-R1817 VanDerWaalsContact O-N 3.07Å; I1814-F1818 HydrophobicContact CG2-CB 4.17Å; I1814-F1818 VanDerWaalsContact O-CB 3.27Å; I1814-F1818 WeakPolarHBondContact O-CB 3.25Å; I1814-F1818 PolarHBondContact O-N 3.38Å; I1814-V1875 HydrophobicContact CD1-CG1 3.59Å; I1814-V1875 HydrophobicContact CG2-CG2 4.38Å |
| 1815 | Q | 58.8 | Low | 52.3 | Low | 115 Ų | 115 | 65.5 Ų | 65.5 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | -165.8 | -169.9 | 179.2 | 17.7 | 0 | 0 | 114.6 | T1811 F1818 H1819 | T1811-Q1815 WeakPolarHBondContact O-CA 3.25Å; T1811-Q1815 WeakPolarHBondContact O-CB 3.36Å; T1811-Q1815 PolarHBondContact O-N 3.45Å; Q1815-F1818 CarbonylContact O-C 3.52Å; Q1815-F1818 PolarHBondContact O-N 3.47Å; Q1815-H1819 WeakPolarHBondContact O-CA 3.14Å; Q1815-H1819 WeakPolarHBondContact O-CB 3.37Å; Q1815-H1819 PolarHBondContact O-N 3.04Å |
| 1816 | P | 53.2 | Low | 51.8 | Low | 81 Ų | 81 | 70.7 Ų | 70.7 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 170.3 | -19.5 | 30.5 | 0 | 0 | 0 | 111.8 | I1812 F1818 H1819 A1820 | I1812-P1816 WeakPolarHBondContact O-CD 3.47Å; I1812-P1816 WeakPolarHBondContact O-CG 3.23Å; P1816-F1818 VanDerWaalsContact C-N 3.35Å; P1816-H1819 PolarHBondContact O-N 3.08Å; P1816-A1820 WeakPolarHBondContact O-CB 3.31Å; P1816-A1820 PolarHBondContact O-N 2.95Å |
| 1817 | R | 50 | Low | 51.1 | Low | 79 Ų | 79 | 78 Ų | 78 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.5 | -36 | 175.4 | -74.6 | -179.6 | 172.7 | 169.4 | 0.8 | 111.6 | I1814 L1821 I1846 | I1814-R1817 CarbonylContact O-C 3.45Å; I1814-R1817 WeakPolarHBondContact O-CA 3.16Å; I1814-R1817 WeakPolarHBondContact O-CB 3.26Å; I1814-R1817 PolarHBondContact O-N 3.36Å; I1814-R1817 VanDerWaalsContact O-N 3.07Å; R1817-L1821 WeakPolarHBondContact O-CB 3.4Å; R1817-L1821 PolarHBondContact O-N 2.87Å; R1817-I1846 VanDerWaalsContact NH1-CD1 3.33Å |
| 1818 | F | 48 | Very low | 50.3 | Low | 66 Ų | 66 | 80 Ų | 80 | 29% | 0.289 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -73.2 | -42.7 | 173.7 | -168.2 | -90.7 | 0 | 0 | 0 | 110.3 | I1814 Q1815 P1816 A1820 L1821 Y1822 L1878 | I1814-F1818 HydrophobicContact CG2-CB 4.17Å; I1814-F1818 VanDerWaalsContact O-CB 3.27Å; I1814-F1818 WeakPolarHBondContact O-CB 3.25Å; I1814-F1818 PolarHBondContact O-N 3.38Å; Q1815-F1818 CarbonylContact O-C 3.52Å; Q1815-F1818 PolarHBondContact O-N 3.47Å; P1816-F1818 VanDerWaalsContact C-N 3.35Å; F1818-A1820 VanDerWaalsContact C-N 3.28Å; F1818-A1820 PolarHBondContact O-N 3.01Å; F1818-L1821 CarbonylContact O-C 3.54Å; F1818-L1821 WeakPolarHBondContact O-CA 3.49Å; F1818-L1821 WeakPolarHBondContact O-CB 2.83Å; F1818-L1821 PolarHBondContact O-N 3.23Å; F1818-L1821 VanDerWaalsContact O-N 3.1Å; F1818-Y1822 HydrophobicContact CD1-CD2 4.4Å; F1818-Y1822 AromaticContact CE1-CD2 3.49Å; F1818-Y1822 HydrophobicContact CE1-CD2 3.49Å; F1818-Y1822 VanDerWaalsContact CE1-CD2 3.49Å; F1818-Y1822 HydrophobicContact CE1-CE2 4.3Å; F1818-Y1822 HydrophobicContact CE1-CG 4.02Å; F1818-Y1822 AromaticContact CZ-CD2 3.85Å; F1818-Y1822 HydrophobicContact CZ-CD2 3.85Å; F1818-Y1822 WeakPolarHBondContact O-CA 3.4Å; F1818-Y1822 WeakPolarHBondContact O-CB 3.33Å; F1818-Y1822 PolarHBondContact O-N 3.47Å; F1818-L1878 HydrophobicContact CD2-CD1 4.07Å; F1818-L1878 HydrophobicContact CE2-CD1 3.6Å |
| 1819 | H | 51.8 | Low | 49.2 | Very low | 99 Ų | 99 | 83.4 Ų | 83.4 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.7 | -32.6 | 174.5 | -168.5 | 63.4 | 0 | 0 | 0 | 110.8 | Q1815 P1816 K1823 | Q1815-H1819 WeakPolarHBondContact O-CA 3.14Å; Q1815-H1819 WeakPolarHBondContact O-CB 3.37Å; Q1815-H1819 PolarHBondContact O-N 3.04Å; P1816-H1819 PolarHBondContact O-N 3.08Å; H1819-K1823 WeakPolarHBondContact NE2-CE 3.49Å; H1819-K1823 PolarHBondContact NE2-NZ 3.39Å; H1819-K1823 WeakPolarHBondContact O-CA 3.4Å; H1819-K1823 WeakPolarHBondContact O-CB 3.31Å; H1819-K1823 WeakPolarHBondContact O-CG 3.3Å; H1819-K1823 PolarHBondContact O-N 2.86Å |
| 1820 | A | 46.3 | Very low | 48.1 | Very low | 36 Ų | 36 | 90 Ų | 90 | 30% | 0.298 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P1816 F1818 M1824 | P1816-A1820 WeakPolarHBondContact O-CB 3.31Å; P1816-A1820 PolarHBondContact O-N 2.95Å; F1818-A1820 VanDerWaalsContact C-N 3.28Å; F1818-A1820 PolarHBondContact O-N 3.01Å; A1820-M1824 WeakPolarHBondContact O-CA 3.44Å; A1820-M1824 WeakPolarHBondContact O-CB 3.42Å; A1820-M1824 WeakPolarHBondContact O-CG 3.11Å; A1820-M1824 PolarHBondContact O-N 2.9Å |
| 1821 | L | 42.8 | Very low | 47.2 | Very low | 100 Ų | 100 | 92.5 Ų | 92.5 | 52% | 0.524 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 175.9 | -109.3 | 128.9 | 0 | 0 | 0 | 114 | R1817 F1818 M1824 Q1825 | R1817-L1821 WeakPolarHBondContact O-CB 3.4Å; R1817-L1821 PolarHBondContact O-N 2.87Å; F1818-L1821 CarbonylContact O-C 3.54Å; F1818-L1821 WeakPolarHBondContact O-CA 3.49Å; F1818-L1821 WeakPolarHBondContact O-CB 2.83Å; F1818-L1821 PolarHBondContact O-N 3.23Å; F1818-L1821 VanDerWaalsContact O-N 3.1Å; L1821-M1824 CarbonylContact O-C 3.59Å; L1821-M1824 VanDerWaalsContact O-CB 3.3Å; L1821-M1824 WeakPolarHBondContact O-CB 3.4Å; L1821-M1824 PolarHBondContact O-N 3.34Å; L1821-Q1825 WeakPolarHBondContact O-CB 3.37Å; L1821-Q1825 WeakPolarHBondContact O-CG 3.35Å; L1821-Q1825 PolarHBondContact O-N 3.42Å |
| 1822 | Y | 45.4 | Very low | 46.1 | Very low | 115 Ų | 115 | 99.5 Ų | 99.5 | 45% | 0.451 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -83.7 | -39.6 | -175.5 | -162.9 | -85.3 | 0 | 0 | 0 | 109.5 | F1818 M1824 Q1825 H1826 | F1818-Y1822 HydrophobicContact CD1-CD2 4.4Å; F1818-Y1822 AromaticContact CE1-CD2 3.49Å; F1818-Y1822 HydrophobicContact CE1-CD2 3.49Å; F1818-Y1822 VanDerWaalsContact CE1-CD2 3.49Å; F1818-Y1822 HydrophobicContact CE1-CE2 4.3Å; F1818-Y1822 HydrophobicContact CE1-CG 4.02Å; F1818-Y1822 AromaticContact CZ-CD2 3.85Å; F1818-Y1822 HydrophobicContact CZ-CD2 3.85Å; F1818-Y1822 WeakPolarHBondContact O-CA 3.4Å; F1818-Y1822 WeakPolarHBondContact O-CB 3.33Å; F1818-Y1822 PolarHBondContact O-N 3.47Å; Y1822-M1824 VanDerWaalsContact C-N 3.34Å; Y1822-Q1825 CarbonylContact O-C 3.1Å; Y1822-Q1825 PolarHBondContact O-N 3.37Å; Y1822-H1826 AromaticContact CE1-CD2 3.63Å; Y1822-H1826 AromaticContact CZ-CD2 3.75Å; Y1822-H1826 WeakPolarHBondContact O-CB 3.35Å; Y1822-H1826 PolarHBondContact O-N 3.4Å |
| 1823 | K | 45 | Very low | 44.9 | Very low | 114 Ų | 114 | 104.2 Ų | 104.2 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 163.3 | -78.8 | -177.7 | 161.9 | 176.6 | 0 | 111.3 | H1819 Q1825 H1826 K1827 | H1819-K1823 WeakPolarHBondContact NE2-CE 3.49Å; H1819-K1823 PolarHBondContact NE2-NZ 3.39Å; H1819-K1823 WeakPolarHBondContact O-CA 3.4Å; H1819-K1823 WeakPolarHBondContact O-CB 3.31Å; H1819-K1823 WeakPolarHBondContact O-CG 3.3Å; H1819-K1823 PolarHBondContact O-N 2.86Å; K1823-Q1825 PolarHBondContact O-N 2.86Å; K1823-H1826 PolarHBondContact O-N 2.89Å; K1823-K1827 PolarHBondContact O-N 2.89Å |
| 1824 | M | 41.1 | Very low | 44.2 | Very low | 160 Ų | 160 | 110.1 Ų | 110.1 | 79% | 0.788 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.6 | -33.2 | 171.1 | -86 | 173.8 | 134.6 | 0 | 0 | 111.1 | A1820 L1821 Y1822 | A1820-M1824 WeakPolarHBondContact O-CA 3.44Å; A1820-M1824 WeakPolarHBondContact O-CB 3.42Å; A1820-M1824 WeakPolarHBondContact O-CG 3.11Å; A1820-M1824 PolarHBondContact O-N 2.9Å; L1821-M1824 CarbonylContact O-C 3.59Å; L1821-M1824 VanDerWaalsContact O-CB 3.3Å; L1821-M1824 WeakPolarHBondContact O-CB 3.4Å; L1821-M1824 PolarHBondContact O-N 3.34Å; Y1822-M1824 VanDerWaalsContact C-N 3.34Å |
| 1825 | Q | 43.8 | Very low | 43.4 | Very low | 140 Ų | 140 | 113.6 Ų | 113.6 | 65% | 0.654 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -82.6 | -27.7 | 175.1 | -79.5 | -174.7 | -6.9 | 0 | 0 | 113.7 | L1821 Y1822 K1823 | L1821-Q1825 WeakPolarHBondContact O-CB 3.37Å; L1821-Q1825 WeakPolarHBondContact O-CG 3.35Å; L1821-Q1825 PolarHBondContact O-N 3.42Å; Y1822-Q1825 CarbonylContact O-C 3.1Å; Y1822-Q1825 PolarHBondContact O-N 3.37Å; K1823-Q1825 PolarHBondContact O-N 2.86Å |
| 1826 | H | 45.9 | Very low | 42.5 | Very low | 125 Ų | 125 | 114.6 Ų | 114.6 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -121.3 | -2.3 | -168.8 | -77.4 | -63.6 | 0 | 0 | 0 | 118.3 | Y1822 K1823 | Y1822-H1826 AromaticContact CE1-CD2 3.63Å; Y1822-H1826 AromaticContact CZ-CD2 3.75Å; Y1822-H1826 WeakPolarHBondContact O-CB 3.35Å; Y1822-H1826 PolarHBondContact O-N 3.4Å; K1823-H1826 PolarHBondContact O-N 2.89Å |
| 1827 | K | 40 | Very low | 41.6 | Very low | 170 Ų | 170 | 118 Ų | 118 | 74% | 0.739 | 56% | 0.559 | S | S | * | * | trans | -138.9 | 104.4 | 169.3 | -73.1 | -167.1 | 174.7 | -173 | 0 | 111.7 | K1823 D1829 | K1823-K1827 PolarHBondContact O-N 2.89Å; K1827-D1829 VanDerWaalsContact C-N 3.3Å; K1827-D1829 PolarHBondContact O-N 3.25Å | ||
| 1828 | G | 41.7 | Very low | 40.9 | Very low | 40 Ų | 40 | 118 Ų | 118 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | trans | -70.5 | -4.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | N946 | N946-G1828 PolarHBondContact ND2-O 3.26Š| ||
| 1829 | D | 40.2 | Very low | 40.3 | Very low | 132 Ų | 132 | 121 Ų | 121 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -116 | 23.7 | -156.3 | -59.5 | -18.7 | 0 | 0 | 0 | 116.2 | K1827 | K1827-D1829 VanDerWaalsContact C-N 3.3Å; K1827-D1829 PolarHBondContact O-N 3.25Å |
| 1830 | M | 34.2 | Very low | 39.6 | Very low | 139 Ų | 139 | 125 Ų | 125 | 69% | 0.685 | 61% | 0.605 | S | S | * | * | trans | -139.1 | 30 | 176.8 | -86.4 | -76.2 | -149.8 | 0 | 0 | 113.9 | E1832 | M1830-E1832 PolarHBondContact O-N 2.85Š| ||
| 1831 | I | 35.9 | Very low | 39.2 | Very low | 56 Ų | 56 | 127.7 Ų | 127.7 | 29% | 0.287 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.6 | -18.9 | 171.5 | -69.8 | 172.1 | 0 | 0 | 0 | 111.5 | N946 W1834 | N946-I1831 HydrophobicContact CB-CB 3.83Å; N946-I1831 HydrophobicContact CB-CD1 3.41Å; N946-I1831 VanDerWaalsContact CB-CD1 3.41Å; N946-I1831 HydrophobicContact CB-CG1 4.14Å; N946-I1831 HydrophobicContact CB-CG2 3.79Å; N946-I1831 WeakPolarHBondContact O-CG2 3.32Å; I1831-W1834 PolarHBondContact O-N 3.41Å |
| 1832 | E | 37.9 | Very low | 38.8 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 79% | 0.794 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.2 | -30.7 | -178.9 | -126.2 | 173.5 | -173 | 0 | 0 | 114.2 | M1830 W1834 | M1830-E1832 PolarHBondContact O-N 2.85Å; E1832-W1834 VanDerWaalsContact C-N 3.3Å; E1832-W1834 PolarHBondContact O-N 3.46Å |
| 1833 | Y | 35.5 | Very low | 38.3 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 73% | 0.725 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -75.1 | -22 | 177.1 | -160.1 | -95.8 | 0 | 0 | 0 | 112.6 | ||
| 1834 | W | 36.2 | Very low | 37.8 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 62% | 0.621 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -88.7 | -15.8 | -172.7 | -82.1 | 71 | 0 | 0 | 0 | 114.9 | I1831 E1832 N1836 V1838 | I1831-W1834 PolarHBondContact O-N 3.41Å; E1832-W1834 VanDerWaalsContact C-N 3.3Å; E1832-W1834 PolarHBondContact O-N 3.46Å; W1834-N1836 VanDerWaalsContact C-N 3.35Å; W1834-V1838 HydrophobicContact CE3-CB 4.5Å; W1834-V1838 HydrophobicContact CE3-CG2 4.33Å; W1834-V1838 HydrophobicContact CZ3-CG1 4.5Å |
| 1835 | R | 37.6 | Very low | 37.6 | Very low | 99 Ų | 99 | 133 Ų | 133 | 37% | 0.374 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | -19.8 | -179 | -83 | 177.5 | 176.8 | -139.1 | -13.1 | 114.6 | N946 H947 E949 | N946-R1835 PolarHBondContact O-NH2 3.4Å; H947-R1835 PolarHBondContact ND1-NH2 3.45Å; E949-R1835 IonicContact OE1-CZ 3.71Å; E949-R1835 IonicContact OE1-NH1 2.64Å; E949-R1835 PolarHBondContact OE1-NH1 2.83Å; E949-R1835 IonicContact OE1-NH2 2.83Å; E949-R1835 IonicContact OE2-CZ 3.79Å; E949-R1835 IonicContact OE2-NH1 3.47Å; E949-R1835 PolarHBondContact OE2-NH1 3.44Å; E949-R1835 IonicContact OE2-NH2 3.61Å; E949-R1835 PolarHBondContact OE2-NH2 3.46Å |
| 1836 | N | 40.6 | Very low | 37.3 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -15.7 | -169.3 | -73.6 | -11.5 | 0 | 0 | 0 | 115.8 | W1834 | W1834-N1836 VanDerWaalsContact C-N 3.35Š|
| 1837 | D | 34.6 | Very low | 37 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.4 | 20.2 | -173.1 | -92.3 | -35 | 0 | 0 | 0 | 117.9 | ||
| 1838 | V | 34.5 | Very low | 36.9 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 47% | 0.467 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -121.2 | 109.6 | 173.3 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | W1834 L1842 | W1834-V1838 HydrophobicContact CE3-CB 4.5Å; W1834-V1838 HydrophobicContact CE3-CG2 4.33Å; W1834-V1838 HydrophobicContact CZ3-CG1 4.5Å; V1838-L1842 HydrophobicContact CG1-CD1 4.4Å |
| 1839 | D | 35.8 | Very low | 36.9 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 69% | 0.69 | 64% | 0.635 | S | S | * | * | trans | -44.6 | 126.5 | -179.4 | -145.2 | -14.9 | 0 | 0 | 0 | 112.9 | S1841 L1842 | D1839-S1841 PolarHBondContact O-N 3.02Å; D1839-L1842 PolarHBondContact O-N 3.43Å | ||
| 1840 | Q | 36.7 | Very low | 36.9 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 86% | 0.86 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -60.2 | -3.4 | -173.7 | -75.1 | -178.2 | -13.6 | 0 | 0 | 114.9 | L1842 | Q1840-L1842 PolarHBondContact O-N 2.78Š|
| 1841 | S | 37.4 | Very low | 37.2 | Very low | 92 Ų | 92 | 123.4 Ų | 123.4 | 64% | 0.643 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -68.3 | -15.9 | 178.2 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | D1839 | D1839-S1841 PolarHBondContact O-N 3.02Š|
| 1842 | L | 34.1 | Very low | 37.7 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -84.7 | -11.7 | -176.8 | -104.1 | 145.3 | 0 | 0 | 0 | 115.9 | V1838 D1839 Q1840 | V1838-L1842 HydrophobicContact CG1-CD1 4.4Å; D1839-L1842 PolarHBondContact O-N 3.43Å; Q1840-L1842 PolarHBondContact O-N 2.78Å |
| 1843 | C | 35.7 | Very low | 37.8 | Very low | 116 Ų | 116 | 114.3 Ų | 114.3 | 78% | 0.784 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -100.8 | 19.6 | -171.9 | -73.5 | 0 | 0 | 0 | 0 | 115.8 | I1845 | C1843-I1845 PolarHBondContact O-N 3.49Å; C1843-I1845 VanDerWaalsContact O-N 3.08Å |
| 1844 | R | 33.7 | Very low | 38.2 | Very low | 217 Ų | 217 | 107 Ų | 107 | 82% | 0.819 | 54% | 0.536 | S | S | * | . | trans | -66.8 | 112.7 | 168.5 | -81.4 | -171.6 | -179.5 | -179 | 1.2 | 109.3 | I1846 | R1844-I1846 PolarHBondContact O-N 3.07Å; R1844-I1846 VanDerWaalsContact O-N 3.16Å | ||
| 1845 | I | 38.4 | Very low | 38.6 | Very low | 165 Ų | 165 | 101.3 Ų | 101.3 | 85% | 0.846 | 52% | 0.522 | S | S | * | . | trans | -48 | 118.6 | 165.5 | -65.8 | 169 | 0 | 0 | 0 | 107 | C1843 D1847 | C1843-I1845 PolarHBondContact O-N 3.49Å; C1843-I1845 VanDerWaalsContact O-N 3.08Å; I1845-D1847 PolarHBondContact O-N 3.17Å; I1845-D1847 VanDerWaalsContact O-N 3.1Å | ||
| 1846 | I | 36 | Very low | 38.8 | Very low | 68 Ų | 68 | 98.6 Ų | 98.6 | 35% | 0.349 | 51% | 0.514 | S | S | . | . | trans | -74.7 | 99.8 | -173.3 | -60.9 | 172.5 | 0 | 0 | 0 | 107.6 | W1813 R1817 R1844 F1848 V1851 | W1813-I1846 HydrophobicContact CH2-CD1 3.85Å; W1813-I1846 HydrophobicContact CZ3-CD1 4.18Å; R1817-I1846 VanDerWaalsContact NH1-CD1 3.33Å; R1844-I1846 PolarHBondContact O-N 3.07Å; R1844-I1846 VanDerWaalsContact O-N 3.16Å; I1846-F1848 PolarHBondContact O-N 2.76Å; I1846-V1851 HydrophobicContact CB-CG2 4.48Å; I1846-V1851 HydrophobicContact CG2-CB 4.46Å; I1846-V1851 HydrophobicContact CG2-CG2 2.99Å | ||
| 1847 | D | 40.5 | Very low | 38.9 | Very low | 82 Ų | 82 | 92.6 Ų | 92.6 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | trans | -68.4 | 111.7 | 164.3 | -171.5 | -19.7 | 0 | 0 | 0 | 107.2 | I1845 N1849 E1850 V1851 | I1845-D1847 PolarHBondContact O-N 3.17Å; I1845-D1847 VanDerWaalsContact O-N 3.1Å; D1847-N1849 PolarHBondContact O-N 3.37Å; D1847-N1849 VanDerWaalsContact O-N 3.09Å; D1847-N1849 WeakPolarHBondContact OD1-CB 2.87Å; D1847-N1849 PolarHBondContact OD1-N 3.21Å; D1847-N1849 PolarHBondContact OD1-ND2 3.3Å; D1847-N1849 VanDerWaalsContact OD1-ND2 3.13Å; D1847-E1850 HydrophobicContact CB-CG 4.33Å; D1847-E1850 WeakPolarHBondContact O-CA 3.35Å; D1847-E1850 WeakPolarHBondContact O-CB 3.32Å; D1847-E1850 PolarHBondContact O-N 3.15Å; D1847-V1851 PolarHBondContact O-N 3.08Å | ||
| 1848 | F | 37.7 | Very low | 39.2 | Very low | 99 Ų | 99 | 93.8 Ų | 93.8 | 43% | 0.434 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.7 | -178.8 | -87.1 | -83.7 | 0 | 0 | 0 | 113.2 | I1846 E1850 V1851 F1854 L1879 | I1846-F1848 PolarHBondContact O-N 2.76Å; F1848-E1850 PolarHBondContact O-N 3.04Å; F1848-V1851 HydrophobicContact CD1-CB 4.43Å; F1848-V1851 HydrophobicContact CD1-CG2 4.29Å; F1848-V1851 PolarHBondContact O-N 3.18Å; F1848-V1851 VanDerWaalsContact O-N 3.17Å; F1848-F1854 HydrophobicContact CD1-CD2 4.18Å; F1848-F1854 HydrophobicContact CD1-CE2 4.34Å; F1848-F1854 HydrophobicContact CE1-CD2 4.23Å; F1848-F1854 AromaticContact CE1-CE2 3.93Å; F1848-F1854 HydrophobicContact CE1-CE2 3.93Å; F1848-L1879 HydrophobicContact CD1-CD2 4.37Å; F1848-L1879 HydrophobicContact CE1-CD2 3.57Å; F1848-L1879 HydrophobicContact CZ-CD2 4.22Å |
| 1849 | N | 41.7 | Very low | 39.6 | Very low | 136 Ų | 136 | 94.5 Ų | 94.5 | 73% | 0.727 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -24.9 | 171.5 | -62.3 | -55.5 | 0 | 0 | 0 | 112.5 | D1847 | D1847-N1849 PolarHBondContact O-N 3.37Å; D1847-N1849 VanDerWaalsContact O-N 3.09Å; D1847-N1849 WeakPolarHBondContact OD1-CB 2.87Å; D1847-N1849 PolarHBondContact OD1-N 3.21Å; D1847-N1849 PolarHBondContact OD1-ND2 3.3Å; D1847-N1849 VanDerWaalsContact OD1-ND2 3.13Å |
| 1850 | E | 40.9 | Very low | 39.7 | Very low | 144 Ų | 144 | 92.4 Ų | 92.4 | 67% | 0.673 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -8.6 | 171 | -64 | -169.3 | 167 | 0 | 0 | 112.7 | D1847 F1848 V1852 | D1847-E1850 HydrophobicContact CB-CG 4.33Å; D1847-E1850 WeakPolarHBondContact O-CA 3.35Å; D1847-E1850 WeakPolarHBondContact O-CB 3.32Å; D1847-E1850 PolarHBondContact O-N 3.15Å; F1848-E1850 PolarHBondContact O-N 3.04Å; E1850-V1852 PolarHBondContact O-N 2.69Å |
| 1851 | V | 41 | Very low | 39.9 | Very low | 15 Ų | 15 | 92.5 Ų | 92.5 | 9% | 0.091 | 47% | 0.471 | C | S | . | . | trans | -82.8 | 71.4 | 175.4 | -165.3 | 0 | 0 | 0 | 0 | 110.1 | I1846 D1847 F1848 P1853 F1854 | I1846-V1851 HydrophobicContact CB-CG2 4.48Å; I1846-V1851 HydrophobicContact CG2-CB 4.46Å; I1846-V1851 HydrophobicContact CG2-CG2 2.99Å; D1847-V1851 PolarHBondContact O-N 3.08Å; F1848-V1851 HydrophobicContact CD1-CB 4.43Å; F1848-V1851 HydrophobicContact CD1-CG2 4.29Å; F1848-V1851 PolarHBondContact O-N 3.18Å; F1848-V1851 VanDerWaalsContact O-N 3.17Å; V1851-P1853 HydrophobicContact CG1-CB 4.41Å; V1851-P1853 HydrophobicContact CG1-CG 3.98Å; V1851-P1853 VanDerWaalsContact O-N 3.09Å; V1851-F1854 HydrophobicContact CB-CD2 4.05Å; V1851-F1854 HydrophobicContact CG1-CD2 3.48Å; V1851-F1854 VanDerWaalsContact CG1-CD2 3.48Å; V1851-F1854 HydrophobicContact CG1-CE2 3.73Å; V1851-F1854 PolarHBondContact O-N 3.14Å; V1851-F1854 VanDerWaalsContact O-N 3.09Å | ||
| 1852 | V | 45.3 | Very low | 40.1 | Very low | 16 Ų | 16 | 91.9 Ų | 91.9 | 10% | 0.097 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -37.1 | -42.5 | 170.1 | 170.5 | 0 | 0 | 0 | 0 | 114.4 | L1749 M1755 Y1758 E1850 F1854 S1855 | L1749-V1852 HydrophobicContact CD2-CG1 4.28Å; M1755-V1852 HydrophobicContact CE-CG2 4.25Å; M1755-V1852 HydrophobicContact CG-CB 4.47Å; M1755-V1852 HydrophobicContact CG-CG1 4.13Å; M1755-V1852 HydrophobicContact CG-CG2 3.59Å; M1755-V1852 HydrophobicContact SD-CB 3.79Å; M1755-V1852 HydrophobicContact SD-CG1 3.16Å; M1755-V1852 WeakPolarHBondContact SD-CG1 3.38Å; M1755-V1852 HydrophobicContact SD-CG2 3.26Å; M1755-V1852 WeakPolarHBondContact SD-CG2 3.48Å; Y1758-V1852 HydrophobicContact CD1-CG1 3.77Å; Y1758-V1852 HydrophobicContact CD2-CG1 3.76Å; Y1758-V1852 HydrophobicContact CE1-CG1 4.3Å; Y1758-V1852 HydrophobicContact CE2-CG1 4.26Å; Y1758-V1852 WeakPolarHBondContact CE2-O 3.34Å; Y1758-V1852 HydrophobicContact CG-CG1 3.48Å; Y1758-V1852 VanDerWaalsContact CG-CG1 3.48Å; E1850-V1852 PolarHBondContact O-N 2.69Å; V1852-F1854 PolarHBondContact O-N 3.33Å; V1852-F1854 VanDerWaalsContact O-N 3.09Å; V1852-S1855 PolarHBondContact O-N 3.34Å; V1852-S1855 PolarHBondContact O-OG 3.2Å |
| 1853 | P | 41 | Very low | 40.4 | Very low | 18 Ų | 18 | 88.4 Ų | 88.4 | 12% | 0.117 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -49.8 | -37.9 | 178.6 | -25.6 | 25.5 | 0 | 0 | 0 | 115 | L1749 L1750 V1851 S1855 | L1749-P1853 HydrophobicContact CD2-CB 4.3Å; L1749-P1853 HydrophobicContact CD2-CG 3.69Å; L1750-P1853 HydrophobicContact CD2-CB 3.9Å; L1750-P1853 HydrophobicContact CD2-CG 3.69Å; L1750-P1853 HydrophobicContact CG-CG 4.33Å; V1851-P1853 HydrophobicContact CG1-CB 4.41Å; V1851-P1853 HydrophobicContact CG1-CG 3.98Å; V1851-P1853 VanDerWaalsContact O-N 3.09Å; P1853-S1855 VanDerWaalsContact C-N 3.29Å; P1853-S1855 PolarHBondContact O-N 3.44Å |
| 1854 | F | 43.1 | Very low | 40.7 | Very low | 31 Ų | 31 | 87.4 Ų | 87.4 | 14% | 0.136 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -75.6 | -15.9 | -176.5 | -73 | -72.5 | 0 | 0 | 0 | 114.1 | I1810 F1848 V1851 V1852 I1856 F1857 L1879 | I1810-F1854 HydrophobicContact CD1-CD1 4.45Å; I1810-F1854 HydrophobicContact CD1-CE1 3.73Å; I1810-F1854 HydrophobicContact CD1-CZ 4.12Å; I1810-F1854 HydrophobicContact CG1-CE1 4.45Å; I1810-F1854 HydrophobicContact CG1-CZ 4.36Å; I1810-F1854 HydrophobicContact CG2-CE1 4.12Å; I1810-F1854 HydrophobicContact CG2-CZ 3.73Å; F1848-F1854 HydrophobicContact CD1-CD2 4.18Å; F1848-F1854 HydrophobicContact CD1-CE2 4.34Å; F1848-F1854 HydrophobicContact CE1-CD2 4.23Å; F1848-F1854 AromaticContact CE1-CE2 3.93Å; F1848-F1854 HydrophobicContact CE1-CE2 3.93Å; V1851-F1854 HydrophobicContact CB-CD2 4.05Å; V1851-F1854 HydrophobicContact CG1-CD2 3.48Å; V1851-F1854 VanDerWaalsContact CG1-CD2 3.48Å; V1851-F1854 HydrophobicContact CG1-CE2 3.73Å; V1851-F1854 PolarHBondContact O-N 3.14Å; V1851-F1854 VanDerWaalsContact O-N 3.09Å; V1852-F1854 PolarHBondContact O-N 3.33Å; V1852-F1854 VanDerWaalsContact O-N 3.09Å; F1854-I1856 PolarHBondContact O-N 3.49Å; F1854-I1856 VanDerWaalsContact O-N 3.08Å; F1854-F1857 HydrophobicContact CD1-CD2 4.27Å; F1854-F1857 PolarHBondContact O-N 3.34Å; F1854-L1879 HydrophobicContact CD1-CD2 3.89Å; F1854-L1879 HydrophobicContact CD2-CD2 4.24Å; F1854-L1879 HydrophobicContact CE1-CD1 3.72Å; F1854-L1879 HydrophobicContact CE1-CD2 3.37Å; F1854-L1879 HydrophobicContact CE1-CG 4.18Å; F1854-L1879 HydrophobicContact CE2-CD2 3.78Å; F1854-L1879 HydrophobicContact CG-CD2 4.31Å; F1854-L1879 HydrophobicContact CZ-CD1 4.06Å; F1854-L1879 HydrophobicContact CZ-CD2 3.34Å; F1854-L1879 HydrophobicContact CZ-CG 4.2Å |
| 1855 | S | 45.2 | Very low | 41.2 | Very low | 45 Ų | 45 | 82 Ų | 82 | 32% | 0.315 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -65.6 | -13.3 | -179.8 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | Y1758 V1852 P1853 F1857 K1858 | Y1758-S1855 WeakPolarHBondContact CE1-OG 3.49Å; Y1758-S1855 PolarHBondContact OH-OG 2.92Å; V1852-S1855 PolarHBondContact O-N 3.34Å; V1852-S1855 PolarHBondContact O-OG 3.2Å; P1853-S1855 VanDerWaalsContact C-N 3.29Å; P1853-S1855 PolarHBondContact O-N 3.44Å; S1855-F1857 PolarHBondContact O-N 3.4Å; S1855-K1858 PolarHBondContact O-N 3.11Å |
| 1856 | I | 40.9 | Very low | 41.5 | Very low | 43 Ų | 43 | 76.7 Ų | 76.7 | 22% | 0.221 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -59.7 | -38.4 | 171 | -88.2 | 159.2 | 0 | 0 | 0 | 109.7 | Y1758 L1762 F1854 | Y1758-I1856 HydrophobicContact CD2-CD1 4.33Å; Y1758-I1856 HydrophobicContact CE2-CB 4.43Å; Y1758-I1856 HydrophobicContact CE2-CD1 3.64Å; Y1758-I1856 HydrophobicContact CE2-CG1 3.55Å; Y1758-I1856 VanDerWaalsContact OH-CA 3.3Å; Y1758-I1856 WeakPolarHBondContact OH-CA 3.05Å; Y1758-I1856 WeakPolarHBondContact OH-CG1 3.28Å; Y1758-I1856 PolarHBondContact OH-N 2.89Å; L1762-I1856 HydrophobicContact CD1-CD1 4.28Å; L1762-I1856 HydrophobicContact CD1-CG1 3.46Å; L1762-I1856 VanDerWaalsContact CD1-CG1 3.46Å; L1762-I1856 HydrophobicContact CG-CD1 4.4Å; L1762-I1856 HydrophobicContact CG-CG1 3.82Å; F1854-I1856 PolarHBondContact O-N 3.49Å; F1854-I1856 VanDerWaalsContact O-N 3.08Å |
| 1857 | F | 42.2 | Very low | 41.7 | Very low | 11 Ų | 11 | 74 Ų | 74 | 5% | 0.048 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -82.8 | -14.9 | -174.3 | -60.8 | -73.5 | 0 | 0 | 0 | 113.7 | I1806 I1810 F1854 S1855 S1859 L1867 | I1806-F1857 HydrophobicContact CB-CZ 4.37Å; I1806-F1857 HydrophobicContact CD1-CZ 4.47Å; I1806-F1857 HydrophobicContact CG2-CE2 3.85Å; I1806-F1857 HydrophobicContact CG2-CZ 3.53Å; I1810-F1857 HydrophobicContact CD1-CE2 4.21Å; F1854-F1857 HydrophobicContact CD1-CD2 4.27Å; F1854-F1857 PolarHBondContact O-N 3.34Å; S1855-F1857 PolarHBondContact O-N 3.4Å; F1857-S1859 PolarHBondContact O-N 3.15Å; F1857-L1867 HydrophobicContact CB-CD1 4.39Å; F1857-L1867 HydrophobicContact CD1-CD1 3.45Å; F1857-L1867 VanDerWaalsContact CD1-CD1 3.45Å; F1857-L1867 HydrophobicContact CD1-CG 4.29Å; F1857-L1867 HydrophobicContact CD2-CD1 3.58Å; F1857-L1867 HydrophobicContact CE1-CD1 3.42Å; F1857-L1867 VanDerWaalsContact CE1-CD1 3.42Å; F1857-L1867 HydrophobicContact CE1-CG 3.84Å; F1857-L1867 HydrophobicContact CE2-CD1 3.55Å; F1857-L1867 HydrophobicContact CE2-CG 4.38Å; F1857-L1867 HydrophobicContact CG-CD1 3.53Å; F1857-L1867 HydrophobicContact CZ-CD1 3.45Å; F1857-L1867 VanDerWaalsContact CZ-CD1 3.45Å; F1857-L1867 HydrophobicContact CZ-CD2 4.47Å; F1857-L1867 HydrophobicContact CZ-CG 3.88Å |
| 1858 | K | 42.4 | Very low | 41.9 | Very low | 177 Ų | 177 | 76.6 Ų | 76.6 | 77% | 0.77 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -64.1 | -23.5 | -179.1 | -101.7 | -175.4 | 177.9 | 173.7 | 0 | 113.4 | S1855 | S1855-K1858 PolarHBondContact O-N 3.11Š|
| 1859 | S | 41.9 | Very low | 42.3 | Very low | 92 Ų | 92 | 81.1 Ų | 81.1 | 64% | 0.643 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -95.7 | -4.9 | -173.8 | 62.6 | 0 | 0 | 0 | 0 | 115.9 | F1857 | F1857-S1859 PolarHBondContact O-N 3.15Š|
| 1860 | D | 37.8 | Very low | 42.5 | Very low | 86 Ų | 86 | 78.3 Ų | 78.3 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | trans | -148.2 | 108.6 | 177.7 | -153.7 | -19.2 | 0 | 0 | 0 | 112.2 | V1862 S1863 | D1860-V1862 PolarHBondContact O-N 3.05Å; D1860-V1862 VanDerWaalsContact O-N 3.11Å; D1860-V1862 PolarHBondContact OD1-N 3.16Å; D1860-S1863 WeakPolarHBondContact O-CB 3.1Å; D1860-S1863 PolarHBondContact O-N 3.22Å | ||
| 1861 | Y | 40.6 | Very low | 42.5 | Very low | 186 Ų | 186 | 71.9 Ų | 71.9 | 73% | 0.729 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -54.5 | -29.4 | -179.9 | -171.3 | -95.9 | 0 | 0 | 0 | 112.4 | S1863 L1864 L1865 | Y1861-S1863 VanDerWaalsContact C-N 3.31Å; Y1861-S1863 PolarHBondContact O-N 2.75Å; Y1861-L1864 WeakPolarHBondContact O-CB 3.23Å; Y1861-L1864 PolarHBondContact O-N 3.01Å; Y1861-L1865 HydrophobicContact CD1-CD1 3.91Å; Y1861-L1865 HydrophobicContact CE1-CD1 3.73Å; Y1861-L1865 HydrophobicContact CE1-CG 4.49Å; Y1861-L1865 PolarHBondContact O-N 3.18Å |
| 1862 | V | 41.4 | Very low | 43 | Very low | 78 Ų | 78 | 75.8 Ų | 75.8 | 47% | 0.473 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | D1860 L1864 L1865 Y1866 | D1860-V1862 PolarHBondContact O-N 3.05Å; D1860-V1862 VanDerWaalsContact O-N 3.11Å; D1860-V1862 PolarHBondContact OD1-N 3.16Å; V1862-L1864 VanDerWaalsContact C-N 3.31Å; V1862-L1864 PolarHBondContact O-N 2.9Å; V1862-L1865 WeakPolarHBondContact O-CB 2.98Å; V1862-L1865 PolarHBondContact O-N 3.4Å; V1862-Y1866 HydrophobicContact CG1-CD2 3.89Å; V1862-Y1866 HydrophobicContact CG1-CE2 3.88Å; V1862-Y1866 WeakPolarHBondContact O-CD2 3.35Å; V1862-Y1866 PolarHBondContact O-N 3.09Å; V1862-Y1866 VanDerWaalsContact O-N 3.09Å |
| 1863 | S | 41.2 | Very low | 43.3 | Very low | 31 Ų | 31 | 79.9 Ų | 79.9 | 22% | 0.217 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.2 | -31.7 | -179.2 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | D1860 Y1861 Y1866 L1867 | D1860-S1863 WeakPolarHBondContact O-CB 3.1Å; D1860-S1863 PolarHBondContact O-N 3.22Å; Y1861-S1863 VanDerWaalsContact C-N 3.31Å; Y1861-S1863 PolarHBondContact O-N 2.75Å; S1863-Y1866 PolarHBondContact O-N 2.81Å; S1863-L1867 PolarHBondContact O-N 3.44Å |
| 1864 | L | 41.4 | Very low | 43.5 | Very low | 95 Ų | 95 | 81.7 Ų | 81.7 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 172.4 | -106.3 | 151.4 | 0 | 0 | 0 | 112 | Y1861 V1862 Y1866 L1867 Y1868 | Y1861-L1864 WeakPolarHBondContact O-CB 3.23Å; Y1861-L1864 PolarHBondContact O-N 3.01Å; V1862-L1864 VanDerWaalsContact C-N 3.31Å; V1862-L1864 PolarHBondContact O-N 2.9Å; L1864-Y1866 VanDerWaalsContact C-N 3.31Å; L1864-Y1866 PolarHBondContact O-N 3.07Å; L1864-L1867 WeakPolarHBondContact O-CB 3.28Å; L1864-L1867 PolarHBondContact O-N 3.5Å; L1864-Y1868 PolarHBondContact O-N 2.78Å |
| 1865 | L | 45.7 | Very low | 43.5 | Very low | 103 Ų | 103 | 80.8 Ų | 80.8 | 54% | 0.539 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 174.3 | -95.2 | 158.1 | 0 | 0 | 0 | 112.5 | Y1861 V1862 Y1868 R1869 | Y1861-L1865 HydrophobicContact CD1-CD1 3.91Å; Y1861-L1865 HydrophobicContact CE1-CD1 3.73Å; Y1861-L1865 HydrophobicContact CE1-CG 4.49Å; Y1861-L1865 PolarHBondContact O-N 3.18Å; V1862-L1865 WeakPolarHBondContact O-CB 2.98Å; V1862-L1865 PolarHBondContact O-N 3.4Å; L1865-Y1868 VanDerWaalsContact O-CB 3.3Å; L1865-Y1868 WeakPolarHBondContact O-CB 3.45Å; L1865-Y1868 PolarHBondContact O-N 2.95Å; L1865-R1869 PolarHBondContact O-N 3.4Å |
| 1866 | Y | 42.8 | Very low | 43.5 | Very low | 54 Ų | 54 | 79.6 Ų | 79.6 | 21% | 0.212 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -76.1 | -36.4 | 176.7 | -86.3 | -84.8 | 0 | 0 | 0 | 113.2 | L1800 I1803 V1862 S1863 L1864 Y1868 R1869 F1870 | L1800-Y1866 HydrophobicContact CD2-CD1 3.76Å; L1800-Y1866 HydrophobicContact CD2-CE1 3.57Å; L1800-Y1866 HydrophobicContact CG-CE1 4.18Å; I1803-Y1866 HydrophobicContact CD1-CD1 4.39Å; I1803-Y1866 HydrophobicContact CD1-CD2 4.42Å; I1803-Y1866 HydrophobicContact CD1-CG 3.96Å; V1862-Y1866 HydrophobicContact CG1-CD2 3.89Å; V1862-Y1866 HydrophobicContact CG1-CE2 3.88Å; V1862-Y1866 WeakPolarHBondContact O-CD2 3.35Å; V1862-Y1866 PolarHBondContact O-N 3.09Å; V1862-Y1866 VanDerWaalsContact O-N 3.09Å; S1863-Y1866 PolarHBondContact O-N 2.81Å; L1864-Y1866 VanDerWaalsContact C-N 3.31Å; L1864-Y1866 PolarHBondContact O-N 3.07Å; Y1866-Y1868 VanDerWaalsContact C-N 3.27Å; Y1866-Y1868 PolarHBondContact O-N 3.32Å; Y1866-R1869 PolarHBondContact O-N 2.92Å; Y1866-F1870 HydrophobicContact CD1-CD2 4.49Å; Y1866-F1870 HydrophobicContact CD1-CE2 4.07Å; Y1866-F1870 WeakPolarHBondContact O-CD2 3.39Å; Y1866-F1870 PolarHBondContact O-N 3.36Å |
| 1867 | L | 41 | Very low | 43.7 | Very low | 11 Ų | 11 | 86.7 Ų | 86.7 | 6% | 0.058 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -51.2 | -51.4 | 166.4 | -107.4 | 165.9 | 0 | 0 | 0 | 109.8 | F1857 S1863 L1864 R1869 F1870 T1871 | F1857-L1867 HydrophobicContact CB-CD1 4.39Å; F1857-L1867 HydrophobicContact CD1-CD1 3.45Å; F1857-L1867 VanDerWaalsContact CD1-CD1 3.45Å; F1857-L1867 HydrophobicContact CD1-CG 4.29Å; F1857-L1867 HydrophobicContact CD2-CD1 3.58Å; F1857-L1867 HydrophobicContact CE1-CD1 3.42Å; F1857-L1867 VanDerWaalsContact CE1-CD1 3.42Å; F1857-L1867 HydrophobicContact CE1-CG 3.84Å; F1857-L1867 HydrophobicContact CE2-CD1 3.55Å; F1857-L1867 HydrophobicContact CE2-CG 4.38Å; F1857-L1867 HydrophobicContact CG-CD1 3.53Å; F1857-L1867 HydrophobicContact CZ-CD1 3.45Å; F1857-L1867 VanDerWaalsContact CZ-CD1 3.45Å; F1857-L1867 HydrophobicContact CZ-CD2 4.47Å; F1857-L1867 HydrophobicContact CZ-CG 3.88Å; S1863-L1867 PolarHBondContact O-N 3.44Å; L1864-L1867 WeakPolarHBondContact O-CB 3.28Å; L1864-L1867 PolarHBondContact O-N 3.5Å; L1867-R1869 PolarHBondContact O-N 3.28Å; L1867-F1870 PolarHBondContact O-N 2.98Å; L1867-T1871 HydrophobicContact CD2-CG2 3.68Å; L1867-T1871 PolarHBondContact O-N 3.29Å; L1867-T1871 PolarHBondContact O-OG1 3.28Å |
| 1868 | Y | 44.2 | Very low | 43.6 | Very low | 138 Ų | 138 | 91 Ų | 91 | 54% | 0.541 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -52.1 | -28.4 | 177.6 | -147.3 | -84 | 0 | 0 | 0 | 113.9 | L1864 L1865 Y1866 V1876 | L1864-Y1868 PolarHBondContact O-N 2.78Å; L1865-Y1868 VanDerWaalsContact O-CB 3.3Å; L1865-Y1868 WeakPolarHBondContact O-CB 3.45Å; L1865-Y1868 PolarHBondContact O-N 2.95Å; Y1866-Y1868 VanDerWaalsContact C-N 3.27Å; Y1866-Y1868 PolarHBondContact O-N 3.32Å; Y1868-V1876 HydrophobicContact CD2-CG1 3.52Å; Y1868-V1876 HydrophobicContact CE2-CG1 3.37Å; Y1868-V1876 HydrophobicContact CG-CG1 4.28Å |
| 1869 | R | 47.4 | Very low | 43.3 | Very low | 193 Ų | 193 | 87.4 Ų | 87.4 | 73% | 0.728 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -88.9 | -23.5 | -177.1 | -149.7 | 178.4 | -170.3 | 179.2 | 2.2 | 113.9 | L1865 Y1866 L1867 | L1865-R1869 PolarHBondContact O-N 3.4Å; Y1866-R1869 PolarHBondContact O-N 2.92Å; L1867-R1869 PolarHBondContact O-N 3.28Å |
| 1870 | F | 45 | Very low | 43.4 | Very low | 78 Ų | 78 | 87.2 Ų | 87.2 | 34% | 0.342 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -119.1 | -20.3 | -173.4 | -71 | -80 | 0 | 0 | 0 | 115.1 | L1800 S1807 Y1866 L1867 | L1800-F1870 HydrophobicContact CD2-CD2 4.2Å; L1800-F1870 HydrophobicContact CD2-CE1 4.44Å; L1800-F1870 HydrophobicContact CD2-CE2 3.14Å; L1800-F1870 HydrophobicContact CD2-CZ 3.3Å; S1807-F1870 PolarHBondContact OG-O 3.3Å; Y1866-F1870 HydrophobicContact CD1-CD2 4.49Å; Y1866-F1870 HydrophobicContact CD1-CE2 4.07Å; Y1866-F1870 WeakPolarHBondContact O-CD2 3.39Å; Y1866-F1870 PolarHBondContact O-N 3.36Å; L1867-F1870 PolarHBondContact O-N 2.98Å |
| 1871 | T | 41.6 | Very low | 43.7 | Very low | 9 Ų | 9 | 87.2 Ų | 87.2 | 6% | 0.055 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -79.1 | 140.7 | 167 | 35 | 0 | 0 | 0 | 0 | 110 | S1807 L1867 L1873 V1876 | S1807-T1871 WeakPolarHBondContact OG-CA 3.3Å; S1807-T1871 WeakPolarHBondContact OG-CG2 3.38Å; S1807-T1871 PolarHBondContact OG-N 2.95Å; S1807-T1871 VanDerWaalsContact OG-N 3.12Å; L1867-T1871 HydrophobicContact CD2-CG2 3.68Å; L1867-T1871 PolarHBondContact O-N 3.29Å; L1867-T1871 PolarHBondContact O-OG1 3.28Å; T1871-L1873 PolarHBondContact O-N 2.98Å; T1871-V1876 WeakPolarHBondContact OG1-CG2 3.29Å |
| 1872 | D | 51.1 | Low | 43.8 | Very low | 96 Ų | 96 | 81.7 Ų | 81.7 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | trans | -49.9 | 131.8 | 168 | -169.8 | -38.4 | 0 | 0 | 0 | 109.6 | S1874 V1875 V1876 | D1872-S1874 PolarHBondContact O-N 3.02Å; D1872-S1874 PolarHBondContact OD1-N 2.78Å; D1872-S1874 VanDerWaalsContact OD1-N 3.07Å; D1872-S1874 PolarHBondContact OD1-OG 3.15Å; D1872-V1875 HydrophobicContact CB-CG2 4.5Å; D1872-V1875 WeakPolarHBondContact O-CB 3.35Å; D1872-V1875 PolarHBondContact O-N 2.8Å; D1872-V1876 PolarHBondContact O-N 2.84Å | ||
| 1873 | L | 50.9 | Low | 44 | Very low | 103 Ų | 103 | 81.9 Ų | 81.9 | 54% | 0.539 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -52.7 | -29.4 | -178.2 | -112.6 | 121.6 | 0 | 0 | 0 | 112.5 | T1871 V1875 V1876 Y1877 | T1871-L1873 PolarHBondContact O-N 2.98Å; L1873-V1875 VanDerWaalsContact C-N 3.34Å; L1873-V1876 PolarHBondContact O-N 3Å; L1873-Y1877 HydrophobicContact CD2-CD2 4.2Å; L1873-Y1877 HydrophobicContact CD2-CE2 3.99Å; L1873-Y1877 PolarHBondContact O-N 2.78Å |
| 1874 | S | 46.3 | Very low | 44.1 | Very low | 55 Ų | 55 | 85.1 Ų | 85.1 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.1 | -32.3 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | D1872 | D1872-S1874 PolarHBondContact O-N 3.02Å; D1872-S1874 PolarHBondContact OD1-N 2.78Å; D1872-S1874 VanDerWaalsContact OD1-N 3.07Å; D1872-S1874 PolarHBondContact OD1-OG 3.15Å |
| 1875 | V | 43.3 | Very low | 44.3 | Very low | 13 Ų | 13 | 84.5 Ų | 84.5 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -76.4 | -38.9 | 173.4 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | T1811 I1814 D1872 L1873 Y1877 L1878 L1879 | T1811-V1875 HydrophobicContact CG2-CG2 4.27Å; I1814-V1875 HydrophobicContact CD1-CG1 3.59Å; I1814-V1875 HydrophobicContact CG2-CG2 4.38Å; D1872-V1875 HydrophobicContact CB-CG2 4.5Å; D1872-V1875 WeakPolarHBondContact O-CB 3.35Å; D1872-V1875 PolarHBondContact O-N 2.8Å; L1873-V1875 VanDerWaalsContact C-N 3.34Å; V1875-Y1877 PolarHBondContact O-N 3.49Å; V1875-L1878 PolarHBondContact O-N 3.17Å; V1875-L1878 VanDerWaalsContact O-N 3.16Å; V1875-L1879 HydrophobicContact CG1-CD1 4.2Å; V1875-L1879 PolarHBondContact O-N 3.03Å |
| 1876 | V | 45.4 | Very low | 44.2 | Very low | 20 Ų | 20 | 83.1 Ų | 83.1 | 12% | 0.121 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 177.9 | 178.5 | 0 | 0 | 0 | 0 | 112.4 | Y1868 T1871 D1872 L1873 L1878 | Y1868-V1876 HydrophobicContact CD2-CG1 3.52Å; Y1868-V1876 HydrophobicContact CE2-CG1 3.37Å; Y1868-V1876 HydrophobicContact CG-CG1 4.28Å; T1871-V1876 WeakPolarHBondContact OG1-CG2 3.29Å; D1872-V1876 PolarHBondContact O-N 2.84Å; L1873-V1876 PolarHBondContact O-N 3Å; V1876-L1878 PolarHBondContact O-N 2.69Å |
| 1877 | Y | 44.9 | Very low | 44.3 | Very low | 191 Ų | 191 | 85.4 Ų | 85.4 | 75% | 0.749 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.3 | 176.5 | -103.5 | -81.7 | 0 | 0 | 0 | 113.7 | L1873 V1875 | L1873-Y1877 HydrophobicContact CD2-CD2 4.2Å; L1873-Y1877 HydrophobicContact CD2-CE2 3.99Å; L1873-Y1877 PolarHBondContact O-N 2.78Å; V1875-Y1877 PolarHBondContact O-N 3.49Å |
| 1878 | L | 40.3 | Very low | 44.6 | Very low | 103 Ų | 103 | 91.6 Ų | 91.6 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -24.8 | -176.7 | -145.7 | 132.9 | 0 | 0 | 0 | 112.9 | F1818 V1875 V1876 | F1818-L1878 HydrophobicContact CD2-CD1 4.07Å; F1818-L1878 HydrophobicContact CE2-CD1 3.6Å; V1875-L1878 PolarHBondContact O-N 3.17Å; V1875-L1878 VanDerWaalsContact O-N 3.16Å; V1876-L1878 PolarHBondContact O-N 2.69Å |
| 1879 | L | 35.1 | Very low | 44.7 | Very low | 100 Ų | 100 | 87.4 Ų | 87.4 | 52% | 0.524 | 42% | 0.416 | S | S | . | . | trans | -70.2 | 0 | 161.8 | -84.5 | 165.1 | 0 | 0 | 0 | 110.8 | F1848 F1854 V1875 | F1848-L1879 HydrophobicContact CD1-CD2 4.37Å; F1848-L1879 HydrophobicContact CE1-CD2 3.57Å; F1848-L1879 HydrophobicContact CZ-CD2 4.22Å; F1854-L1879 HydrophobicContact CD1-CD2 3.89Å; F1854-L1879 HydrophobicContact CD2-CD2 4.24Å; F1854-L1879 HydrophobicContact CE1-CD1 3.72Å; F1854-L1879 HydrophobicContact CE1-CD2 3.37Å; F1854-L1879 HydrophobicContact CE1-CG 4.18Å; F1854-L1879 HydrophobicContact CE2-CD2 3.78Å; F1854-L1879 HydrophobicContact CG-CD2 4.31Å; F1854-L1879 HydrophobicContact CZ-CD1 4.06Å; F1854-L1879 HydrophobicContact CZ-CD2 3.34Å; F1854-L1879 HydrophobicContact CZ-CG 4.2Å; V1875-L1879 HydrophobicContact CG1-CD1 4.2Å; V1875-L1879 PolarHBondContact O-N 3.03Å |
Retrieved 1,879 of 1,879 residues in 4171.2 ms
(Link to these results)